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 6req_1_C DATA FIRST_RESID 2 DATA SEQUENCE STLPRFDSVD LGNAPVPADA ARRFEELAAK AGTGEAWETA EQIPVGTLFN DATA SEQUENCE EDVYKDMDWL DTYAGIPPFV HGPYATMYAF RPWTIRQYAG FSTAKESNAF DATA SEQUENCE YRRNLAAGQK GLSVAFDLPT HRGYDSDNPR VAGDVGMAGV AIDSIYDMRE DATA SEQUENCE LFAGIPLDQM SVSMTMNGAV LPILALYVVT AEEQGVKPEQ LAGTIQNDIL DATA SEQUENCE KEFMVRNTYI YPPQPSMRII SEIFAYTSAN MPKWNSISIS GYHMQEAGAT DATA SEQUENCE ADIEMAYTLA DGVDYIRAGE SVGLNVDQFA PRLSFFWGIG MNFFMEVAKL DATA SEQUENCE RAARMLWAKL VHQFGPKNPK SMSLRTHSQT SGWSLTAQDV YNNVVRTCIE DATA SEQUENCE AMAATQGHTQ SLHTNSLDEA IALPTDFSAR IARNTQLFLQ QESGTTRVID DATA SEQUENCE PWSGSAYVEE LTWDLARKAW GHIQEVEKVG GMAKAIEKGI PKMRIEEAAA DATA SEQUENCE RTQARIDSGR QPLIGVNKYR LEHEPPLDVL KVDNSTVLAE QKAKLVKLRA DATA SEQUENCE ERDPEKVKAA LDKITWAAGN PDDKDPDRNL LKLCIDAGRA MATVGEMSDA DATA SEQUENCE LEKVFGRYTA QIRTISGVYS KEVKNTPEVE EARELVEEFE QAEGRRPRIL DATA SEQUENCE LAKMGQDGHD RGQKVIATAY ADLGFDVDVG PLFQTPEETA RQAVEADVHV DATA SEQUENCE VGVSSLAGGH LTLVPALRKE LDKLGRPDIL ITVGGVIPEQ DFDELRKDGA DATA SEQUENCE VEIYTPGTVI PESAISLVKK LRASLDA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.592 174.600 -0.013 0.000 1.055 2 S CA 0.000 58.197 58.200 -0.006 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 3 T N 0.392 114.935 114.554 -0.018 0.000 3.764 3 T HA 0.360 4.710 4.350 -0.000 0.000 0.300 3 T C -0.435 174.241 174.700 -0.040 0.000 0.943 3 T CA -0.053 62.028 62.100 -0.033 0.000 1.151 3 T CB 0.111 68.951 68.868 -0.047 0.000 1.116 3 T HN 0.320 nan 8.240 nan 0.000 0.483 4 L N 3.046 124.250 121.223 -0.033 0.000 3.671 4 L HA -0.069 4.271 4.340 -0.000 0.000 0.609 4 L C -2.395 174.432 176.870 -0.072 0.000 1.251 4 L CA -0.325 54.499 54.840 -0.027 0.000 0.934 4 L CB -1.725 40.329 42.059 -0.007 0.000 1.496 4 L HN 0.383 nan 8.230 nan 0.000 0.854 5 P HA 0.221 nan 4.420 nan 0.000 0.269 5 P C 0.015 177.098 177.300 -0.363 0.000 1.209 5 P CA 0.036 62.951 63.100 -0.309 0.000 0.776 5 P CB 0.626 32.025 31.700 -0.501 0.000 0.876 6 R N 1.785 122.076 120.500 -0.348 0.000 2.387 6 R HA 0.297 4.637 4.340 -0.000 0.000 0.314 6 R C 0.399 176.521 176.300 -0.297 0.000 0.958 6 R CA -0.634 55.352 56.100 -0.191 0.000 0.846 6 R CB 0.266 30.523 30.300 -0.071 0.000 1.147 6 R HN 0.461 nan 8.270 nan 0.000 0.447 7 F N 1.024 120.977 119.950 0.004 0.000 2.811 7 F HA -0.028 4.499 4.527 -0.000 0.000 0.301 7 F C 1.764 177.567 175.800 0.004 0.000 1.151 7 F CA 0.336 58.338 58.000 0.004 0.000 1.412 7 F CB 0.189 39.192 39.000 0.005 0.000 1.113 7 F HN 0.500 nan 8.300 nan 0.000 0.579 8 D N -0.619 119.849 120.400 0.114 0.000 2.392 8 D HA -0.107 4.533 4.640 -0.000 0.000 0.228 8 D C 1.271 177.596 176.300 0.040 0.000 1.003 8 D CA 1.182 55.225 54.000 0.071 0.000 0.917 8 D CB -0.228 40.601 40.800 0.049 0.000 0.890 8 D HN 0.409 nan 8.370 nan 0.000 0.532 9 S N -0.852 114.862 115.700 0.023 0.000 2.649 9 S HA 0.180 4.650 4.470 -0.000 0.000 0.246 9 S C 0.537 175.146 174.600 0.015 0.000 1.057 9 S CA -0.501 57.703 58.200 0.007 0.000 1.051 9 S CB 0.413 63.601 63.200 -0.020 0.000 1.018 9 S HN 0.035 nan 8.310 nan 0.000 0.569 10 V N 3.742 123.683 119.914 0.045 0.000 2.498 10 V HA 0.376 4.496 4.120 -0.000 0.000 0.279 10 V C -0.492 175.660 176.094 0.096 0.000 1.048 10 V CA -0.619 61.728 62.300 0.078 0.000 0.967 10 V CB 0.864 32.794 31.823 0.179 0.000 0.988 10 V HN 0.282 nan 8.190 nan 0.000 0.473 11 D N 2.633 123.075 120.400 0.069 0.000 2.264 11 D HA 0.223 4.863 4.640 -0.000 0.000 0.249 11 D C 0.758 177.099 176.300 0.068 0.000 1.070 11 D CA -0.459 53.575 54.000 0.057 0.000 0.912 11 D CB 1.906 42.728 40.800 0.037 0.000 1.193 11 D HN 0.398 nan 8.370 nan 0.000 0.427 12 L N 1.831 123.086 121.223 0.053 0.000 2.056 12 L HA 0.124 4.464 4.340 -0.000 0.000 0.207 12 L C 0.941 177.832 176.870 0.035 0.000 1.078 12 L CA 2.034 56.900 54.840 0.043 0.000 0.749 12 L CB -0.652 41.422 42.059 0.024 0.000 0.901 12 L HN 0.715 nan 8.230 nan 0.000 0.433 13 G N -0.694 108.123 108.800 0.029 0.000 2.661 13 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.685 13 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.685 13 G C -0.132 174.779 174.900 0.017 0.000 1.298 13 G CA -0.010 45.104 45.100 0.024 0.000 0.855 13 G HN 0.343 nan 8.290 nan 0.000 0.560 14 N N 0.729 119.438 118.700 0.015 0.000 2.314 14 N HA 0.469 5.209 4.740 -0.000 0.000 0.200 14 N C 1.254 176.771 175.510 0.011 0.000 1.135 14 N CA 1.840 54.897 53.050 0.012 0.000 0.835 14 N CB -0.335 38.158 38.487 0.010 0.000 0.989 14 N HN 2.079 nan 8.380 nan 0.000 0.478 15 A N 0.461 123.288 122.820 0.012 0.000 2.303 15 A HA -0.151 4.169 4.320 -0.000 0.000 0.286 15 A C -2.166 175.424 177.584 0.011 0.000 1.429 15 A CA -0.190 51.853 52.037 0.011 0.000 0.738 15 A CB -1.894 17.111 19.000 0.009 0.000 1.149 15 A HN 0.289 nan 8.150 nan 0.000 0.364 16 P HA 0.436 nan 4.420 nan 0.000 0.276 16 P C -0.220 177.087 177.300 0.011 0.000 1.230 16 P CA -0.259 62.847 63.100 0.011 0.000 0.776 16 P CB 1.094 32.801 31.700 0.012 0.000 0.888 17 V N 5.527 125.447 119.914 0.009 0.000 2.383 17 V HA 0.273 4.392 4.120 -0.000 0.000 0.275 17 V C -1.682 174.419 176.094 0.010 0.000 1.036 17 V CA -1.470 60.836 62.300 0.009 0.000 0.889 17 V CB 0.543 32.369 31.823 0.005 0.000 0.985 17 V HN 0.606 nan 8.190 nan 0.000 0.459 18 P HA 0.174 nan 4.420 nan 0.000 0.270 18 P C 0.627 177.935 177.300 0.013 0.000 1.227 18 P CA -0.238 62.871 63.100 0.014 0.000 0.788 18 P CB 0.739 32.449 31.700 0.017 0.000 0.926 19 A N 1.343 124.170 122.820 0.012 0.000 2.119 19 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 19 A C 1.329 178.921 177.584 0.013 0.000 1.152 19 A CA 1.267 53.310 52.037 0.011 0.000 0.708 19 A CB -0.716 18.289 19.000 0.008 0.000 0.805 19 A HN 0.657 nan 8.150 nan 0.000 0.460 20 D N -0.676 119.734 120.400 0.016 0.000 2.349 20 D HA 0.301 4.941 4.640 -0.000 0.000 0.214 20 D C 1.463 177.781 176.300 0.030 0.000 1.063 20 D CA 0.713 54.725 54.000 0.019 0.000 0.847 20 D CB -0.337 40.472 40.800 0.016 0.000 0.933 20 D HN 0.234 nan 8.370 nan 0.000 0.513 21 A N 1.745 124.585 122.820 0.033 0.000 1.859 21 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 21 A C 2.494 180.123 177.584 0.075 0.000 1.209 21 A CA 2.950 55.016 52.037 0.048 0.000 0.639 21 A CB -1.322 17.695 19.000 0.029 0.000 0.835 21 A HN 0.369 nan 8.150 nan 0.000 0.450 22 A N 0.708 123.562 122.820 0.057 0.000 1.870 22 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 22 A C 2.232 179.875 177.584 0.098 0.000 1.224 22 A CA 2.967 55.049 52.037 0.075 0.000 0.650 22 A CB -0.805 18.216 19.000 0.035 0.000 0.836 22 A HN 0.785 nan 8.150 nan 0.000 0.454 23 R N -1.104 119.429 120.500 0.054 0.000 2.115 23 R HA 0.005 4.345 4.340 -0.000 0.000 0.230 23 R C 2.191 178.507 176.300 0.027 0.000 1.111 23 R CA 1.254 57.373 56.100 0.033 0.000 0.976 23 R CB -0.394 29.914 30.300 0.014 0.000 0.870 23 R HN 0.471 nan 8.270 nan 0.000 0.445 24 R N -0.074 120.452 120.500 0.043 0.000 2.096 24 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 24 R C 2.003 178.332 176.300 0.048 0.000 1.127 24 R CA 1.692 57.813 56.100 0.035 0.000 0.968 24 R CB -0.366 29.961 30.300 0.045 0.000 0.861 24 R HN 0.250 nan 8.270 nan 0.000 0.440 25 F N 2.104 122.042 119.950 -0.020 0.000 2.084 25 F HA -0.146 4.381 4.527 -0.000 0.000 0.296 25 F C 2.210 177.993 175.800 -0.029 0.000 1.111 25 F CA 1.402 59.387 58.000 -0.025 0.000 1.224 25 F CB -0.140 38.841 39.000 -0.031 0.000 0.991 25 F HN -0.140 nan 8.300 nan 0.000 0.471 26 E N 0.848 120.941 120.200 -0.177 0.000 2.065 26 E HA -0.279 4.071 4.350 -0.000 0.000 0.201 26 E C 2.433 178.862 176.600 -0.284 0.000 1.016 26 E CA 1.957 58.192 56.400 -0.275 0.000 0.818 26 E CB -0.937 28.708 29.700 -0.093 0.000 0.749 26 E HN 0.683 nan 8.360 nan 0.000 0.453 27 E N 1.260 121.357 120.200 -0.172 0.000 2.049 27 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 27 E C 2.353 178.843 176.600 -0.183 0.000 1.007 27 E CA 1.681 57.998 56.400 -0.138 0.000 0.809 27 E CB -1.033 nan 29.700 nan 0.000 0.749 27 E HN 0.273 nan 8.360 nan 0.000 0.450 28 L N -0.048 121.045 121.223 -0.216 0.000 2.012 28 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 28 L C 3.169 179.843 176.870 -0.328 0.000 1.073 28 L CA 1.370 56.080 54.840 -0.217 0.000 0.748 28 L CB -0.549 41.422 42.059 -0.147 0.000 0.891 28 L HN 0.472 nan 8.230 nan 0.000 0.431 29 A N 0.170 122.599 122.820 -0.652 0.000 1.865 29 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 29 A C 2.548 179.957 177.584 -0.290 0.000 1.191 29 A CA 2.118 53.800 52.037 -0.591 0.000 0.623 29 A CB -0.963 17.506 19.000 -0.884 0.000 0.826 29 A HN 0.414 nan 8.150 nan 0.000 0.444 30 A N -0.979 121.697 122.820 -0.240 0.000 1.940 30 A HA -0.166 4.153 4.320 -0.000 0.000 0.219 30 A C 2.138 179.657 177.584 -0.109 0.000 1.176 30 A CA 1.951 53.903 52.037 -0.142 0.000 0.631 30 A CB -0.394 18.536 19.000 -0.117 0.000 0.814 30 A HN 0.347 nan 8.150 nan 0.000 0.446 31 K N -0.173 120.159 120.400 -0.114 0.000 2.057 31 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 31 K C 2.260 178.819 176.600 -0.067 0.000 1.049 31 K CA 1.407 57.646 56.287 -0.081 0.000 0.931 31 K CB -0.700 31.753 32.500 -0.078 0.000 0.714 31 K HN 0.445 nan 8.250 nan 0.000 0.440 32 A N -0.398 122.373 122.820 -0.082 0.000 1.933 32 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 32 A C 1.513 179.068 177.584 -0.048 0.000 1.175 32 A CA 2.208 54.210 52.037 -0.060 0.000 0.628 32 A CB -0.351 18.608 19.000 -0.068 0.000 0.814 32 A HN 0.455 nan 8.150 nan 0.000 0.444 33 G N -2.727 106.040 108.800 -0.057 0.000 2.164 33 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.154 33 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.154 33 G C 0.213 175.092 174.900 -0.035 0.000 1.014 33 G CA 0.102 45.179 45.100 -0.040 0.000 0.683 33 G HN 0.602 nan 8.290 nan 0.000 0.500 34 T N 1.867 116.392 114.554 -0.048 0.000 2.778 34 T HA 0.450 4.800 4.350 -0.000 0.000 0.282 34 T C 1.410 176.095 174.700 -0.024 0.000 0.983 34 T CA 0.920 62.999 62.100 -0.036 0.000 1.193 34 T CB 1.127 69.959 68.868 -0.060 0.000 0.938 34 T HN 0.903 nan 8.240 nan 0.000 0.523 35 G N 2.704 111.501 108.800 -0.005 0.000 2.582 35 G HA2 0.403 4.363 3.960 -0.000 0.000 0.232 35 G HA3 0.403 4.363 3.960 -0.000 0.000 0.232 35 G C 0.178 175.085 174.900 0.012 0.000 1.458 35 G CA -0.723 44.379 45.100 0.003 0.000 1.062 35 G HN 0.721 nan 8.290 nan 0.000 0.566 36 E N 0.123 120.337 120.200 0.023 0.000 2.408 36 E HA 0.397 4.747 4.350 -0.000 0.000 0.259 36 E C 0.427 177.063 176.600 0.059 0.000 1.110 36 E CA -0.190 56.228 56.400 0.031 0.000 0.929 36 E CB 0.486 30.204 29.700 0.030 0.000 0.971 36 E HN 0.531 nan 8.360 nan 0.000 0.438 37 A N 1.725 124.581 122.820 0.060 0.000 2.492 37 A HA 0.019 4.339 4.320 -0.000 0.000 0.236 37 A C -0.426 177.264 177.584 0.178 0.000 1.078 37 A CA -0.134 51.964 52.037 0.103 0.000 0.773 37 A CB -0.192 18.851 19.000 0.071 0.000 1.023 37 A HN 0.699 nan 8.150 nan 0.000 0.504 38 W N 1.467 122.787 121.300 0.033 0.000 2.304 38 W HA 0.490 5.150 4.660 -0.000 0.000 0.313 38 W C -0.212 176.339 176.519 0.053 0.000 1.323 38 W CA -0.752 56.619 57.345 0.043 0.000 1.223 38 W CB 0.297 29.792 29.460 0.058 0.000 1.237 38 W HN 0.678 nan 8.180 nan 0.000 0.535 39 E N 4.409 124.567 120.200 -0.070 0.000 2.081 39 E HA 0.241 4.591 4.350 -0.000 0.000 0.281 39 E C 0.309 176.556 176.600 -0.587 0.000 0.986 39 E CA -0.239 56.005 56.400 -0.260 0.000 0.796 39 E CB 0.577 30.230 29.700 -0.079 0.000 1.085 39 E HN 0.408 nan 8.360 nan 0.000 0.398 40 T N 1.091 115.159 114.554 -0.810 0.000 2.766 40 T HA 0.338 4.688 4.350 -0.000 0.000 0.295 40 T C 1.456 175.959 174.700 -0.327 0.000 1.024 40 T CA -0.189 61.433 62.100 -0.796 0.000 1.018 40 T CB 1.420 69.849 68.868 -0.731 0.000 1.002 40 T HN 0.421 nan 8.240 nan 0.000 0.532 41 A N 0.460 123.172 122.820 -0.180 0.000 1.986 41 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 41 A C 2.092 179.605 177.584 -0.117 0.000 1.171 41 A CA 1.834 53.810 52.037 -0.101 0.000 0.640 41 A CB -1.064 17.903 19.000 -0.055 0.000 0.811 41 A HN 0.886 nan 8.150 nan 0.000 0.451 42 E N -1.019 119.097 120.200 -0.139 0.000 2.418 42 E HA -0.013 4.337 4.350 -0.000 0.000 0.197 42 E C 0.409 176.944 176.600 -0.109 0.000 1.026 42 E CA 0.620 56.946 56.400 -0.123 0.000 0.862 42 E CB -0.244 29.373 29.700 -0.139 0.000 0.799 42 E HN 0.664 nan 8.360 nan 0.000 0.518 43 Q N -0.877 118.847 119.800 -0.127 0.000 2.493 43 Q HA -0.182 4.158 4.340 -0.000 0.000 0.278 43 Q C -0.959 174.978 176.000 -0.105 0.000 1.198 43 Q CA 0.247 55.987 55.803 -0.105 0.000 0.880 43 Q CB -1.688 27.010 28.738 -0.067 0.000 1.260 43 Q HN 0.311 nan 8.270 nan 0.000 0.470 44 I N 1.812 122.297 120.570 -0.140 0.000 2.354 44 I HA 0.326 4.496 4.170 -0.000 0.000 0.286 44 I C -2.024 174.010 176.117 -0.138 0.000 1.007 44 I CA -2.242 58.988 61.300 -0.117 0.000 1.167 44 I CB 1.281 39.212 38.000 -0.116 0.000 1.320 44 I HN -0.142 nan 8.210 nan 0.000 0.458 45 P HA 0.096 nan 4.420 nan 0.000 0.276 45 P C -0.585 176.759 177.300 0.074 0.000 1.243 45 P CA -0.081 63.008 63.100 -0.018 0.000 0.768 45 P CB 1.289 32.996 31.700 0.012 0.000 0.856 46 V N 4.591 124.569 119.914 0.105 0.000 2.284 46 V HA 0.384 4.504 4.120 -0.000 0.000 0.274 46 V C 1.197 177.454 176.094 0.272 0.000 1.023 46 V CA -0.293 62.197 62.300 0.316 0.000 0.808 46 V CB 0.956 33.036 31.823 0.428 0.000 1.035 46 V HN 0.738 nan 8.190 nan 0.000 0.445 47 G N 3.069 111.926 108.800 0.095 0.000 2.529 47 G HA2 0.248 4.208 3.960 -0.000 0.000 0.277 47 G HA3 0.248 4.208 3.960 -0.000 0.000 0.277 47 G C 1.082 175.936 174.900 -0.075 0.000 1.383 47 G CA 0.575 45.636 45.100 -0.064 0.000 1.050 47 G HN 0.721 nan 8.290 nan 0.000 0.526 48 T N -2.877 111.619 114.554 -0.098 0.000 3.086 48 T HA 0.435 4.785 4.350 -0.000 0.000 0.250 48 T C 0.120 174.757 174.700 -0.106 0.000 1.074 48 T CA 0.132 62.206 62.100 -0.043 0.000 0.988 48 T CB -0.129 68.775 68.868 0.059 0.000 0.988 48 T HN 0.541 nan 8.240 nan 0.000 0.530 49 L N 0.022 121.063 121.223 -0.304 0.000 2.643 49 L HA 0.657 4.996 4.340 -0.000 0.000 0.257 49 L C -2.299 174.271 176.870 -0.500 0.000 0.922 49 L CA -0.895 53.754 54.840 -0.319 0.000 0.909 49 L CB 1.679 43.447 42.059 -0.486 0.000 1.424 49 L HN 0.087 nan 8.230 nan 0.000 0.422 50 F N 3.062 122.908 119.950 -0.174 0.000 2.532 50 F HA 0.658 5.185 4.527 -0.000 0.000 0.321 50 F C 0.287 175.993 175.800 -0.157 0.000 1.089 50 F CA -0.270 57.655 58.000 -0.126 0.000 0.926 50 F CB 2.206 41.176 39.000 -0.050 0.000 1.168 50 F HN 0.563 nan 8.300 nan 0.000 0.459 51 N N -0.156 118.507 118.700 -0.061 0.000 3.102 51 N HA 0.171 4.910 4.740 -0.000 0.000 0.299 51 N C 0.257 175.589 175.510 -0.297 0.000 1.482 51 N CA -0.675 52.291 53.050 -0.140 0.000 0.785 51 N CB 1.067 39.470 38.487 -0.140 0.000 1.680 51 N HN 0.584 nan 8.380 nan 0.000 0.594 52 E N 0.398 120.431 120.200 -0.278 0.000 2.510 52 E HA -0.181 4.169 4.350 -0.000 0.000 0.202 52 E C -0.216 176.197 176.600 -0.311 0.000 1.072 52 E CA 1.027 57.190 56.400 -0.395 0.000 0.883 52 E CB -0.287 29.426 29.700 0.022 0.000 0.818 52 E HN 0.651 nan 8.360 nan 0.000 0.548 53 D N 1.631 121.904 120.400 -0.213 0.000 2.317 53 D HA -0.127 4.513 4.640 -0.000 0.000 0.211 53 D C 2.090 178.318 176.300 -0.120 0.000 0.966 53 D CA 1.141 55.071 54.000 -0.117 0.000 0.876 53 D CB -0.551 40.207 40.800 -0.070 0.000 0.927 53 D HN 0.271 nan 8.370 nan 0.000 0.519 54 V N -1.425 118.361 119.914 -0.214 0.000 2.548 54 V HA -0.125 3.995 4.120 -0.000 0.000 0.249 54 V C 2.144 178.155 176.094 -0.138 0.000 1.055 54 V CA 0.815 63.044 62.300 -0.118 0.000 1.065 54 V CB -1.563 30.221 31.823 -0.064 0.000 0.681 54 V HN 0.120 nan 8.190 nan 0.000 0.462 55 Y N 0.718 120.945 120.300 -0.121 0.000 2.497 55 Y HA -0.066 4.484 4.550 -0.000 0.000 0.292 55 Y C 2.689 178.402 175.900 -0.311 0.000 1.137 55 Y CA 1.102 59.049 58.100 -0.254 0.000 1.285 55 Y CB -0.275 38.063 38.460 -0.205 0.000 0.991 55 Y HN 0.234 nan 8.280 nan 0.000 0.556 56 K N 0.853 121.210 120.400 -0.072 0.000 2.032 56 K HA -0.269 4.051 4.320 -0.000 0.000 0.218 56 K C 0.884 177.368 176.600 -0.194 0.000 1.054 56 K CA 2.350 58.576 56.287 -0.102 0.000 0.941 56 K CB -0.210 32.262 32.500 -0.047 0.000 0.720 56 K HN 0.318 nan 8.250 nan 0.000 0.449 57 D N 0.057 120.298 120.400 -0.264 0.000 2.340 57 D HA 0.014 4.654 4.640 -0.000 0.000 0.220 57 D C 0.286 176.089 176.300 -0.828 0.000 1.039 57 D CA 0.418 54.197 54.000 -0.369 0.000 0.866 57 D CB 0.086 40.864 40.800 -0.038 0.000 0.913 57 D HN 0.297 nan 8.370 nan 0.000 0.523 58 M N 1.457 120.452 119.600 -1.009 0.000 2.188 58 M HA 0.049 4.529 4.480 -0.000 0.000 0.354 58 M C 0.796 176.460 176.300 -1.060 0.000 1.342 58 M CA -0.093 54.309 55.300 -1.495 0.000 1.117 58 M CB 1.055 32.614 32.600 -1.733 0.000 1.670 58 M HN -0.223 nan 8.290 nan 0.000 0.466 59 D N 1.693 121.606 120.400 -0.812 0.000 2.398 59 D HA -0.025 4.615 4.640 -0.000 0.000 0.210 59 D C 0.939 177.087 176.300 -0.253 0.000 1.094 59 D CA -0.024 53.743 54.000 -0.387 0.000 0.839 59 D CB -0.164 40.546 40.800 -0.150 0.000 0.963 59 D HN 0.791 nan 8.370 nan 0.000 0.506 60 W N -0.039 121.142 121.300 -0.199 0.000 3.107 60 W HA 0.391 5.051 4.660 -0.000 0.000 0.293 60 W C 1.228 177.636 176.519 -0.186 0.000 1.239 60 W CA -0.443 56.789 57.345 -0.188 0.000 1.653 60 W CB -0.522 28.816 29.460 -0.204 0.000 1.068 60 W HN -0.216 nan 8.180 nan 0.000 0.615 61 L N 1.547 122.436 121.223 -0.557 0.000 2.357 61 L HA -0.188 4.152 4.340 -0.000 0.000 0.220 61 L C 0.904 177.647 176.870 -0.213 0.000 1.123 61 L CA 1.613 56.226 54.840 -0.379 0.000 0.782 61 L CB -0.592 41.128 42.059 -0.565 0.000 0.910 61 L HN 0.058 nan 8.230 nan 0.000 0.442 62 D N -0.426 119.866 120.400 -0.180 0.000 2.895 62 D HA 0.087 4.727 4.640 -0.000 0.000 0.350 62 D C 0.300 176.473 176.300 -0.212 0.000 1.389 62 D CA -0.104 53.781 54.000 -0.192 0.000 0.812 62 D CB 0.298 41.009 40.800 -0.149 0.000 1.164 62 D HN 0.111 nan 8.370 nan 0.000 0.455 63 T N -2.825 111.644 114.554 -0.142 0.000 2.948 63 T HA 0.594 4.943 4.350 -0.000 0.000 0.285 63 T C -0.241 174.314 174.700 -0.241 0.000 1.019 63 T CA -0.633 61.407 62.100 -0.100 0.000 1.013 63 T CB 1.294 70.161 68.868 -0.002 0.000 1.117 63 T HN -0.047 nan 8.240 nan 0.000 0.533 64 Y N -0.038 120.376 120.300 0.191 0.000 2.393 64 Y HA 0.615 5.164 4.550 -0.000 0.000 0.341 64 Y C 0.760 176.795 175.900 0.225 0.000 0.988 64 Y CA -1.197 57.010 58.100 0.178 0.000 1.078 64 Y CB 1.484 39.975 38.460 0.053 0.000 1.203 64 Y HN 1.061 nan 8.280 nan 0.000 0.453 65 A N 1.527 124.568 122.820 0.368 0.000 2.520 65 A HA 0.404 4.723 4.320 -0.000 0.000 0.235 65 A C 1.343 179.096 177.584 0.280 0.000 1.065 65 A CA 0.754 52.985 52.037 0.323 0.000 0.764 65 A CB -0.845 18.313 19.000 0.263 0.000 1.002 65 A HN 1.636 nan 8.150 nan 0.000 0.502 66 G N -0.014 108.995 108.800 0.348 0.000 2.148 66 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 66 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 66 G C -0.074 174.982 174.900 0.259 0.000 0.981 66 G CA 0.605 45.939 45.100 0.390 0.000 0.670 66 G HN 0.999 nan 8.290 nan 0.000 0.528 67 I N 0.196 120.715 120.570 -0.086 0.000 2.752 67 I HA 0.398 4.568 4.170 -0.000 0.000 0.295 67 I C -2.433 173.115 176.117 -0.949 0.000 1.219 67 I CA -2.671 58.394 61.300 -0.392 0.000 1.030 67 I CB 2.650 40.584 38.000 -0.110 0.000 1.259 67 I HN -0.188 nan 8.210 nan 0.000 0.423 68 P HA 0.060 nan 4.420 nan 0.000 0.264 68 P C -2.208 174.820 177.300 -0.454 0.000 1.183 68 P CA -0.663 61.887 63.100 -0.917 0.000 0.763 68 P CB -0.058 31.333 31.700 -0.515 0.000 0.807 69 P HA 0.177 nan 4.420 nan 0.000 0.243 69 P C -0.450 176.795 177.300 -0.092 0.000 1.672 69 P CA -0.502 62.463 63.100 -0.226 0.000 1.000 69 P CB -0.519 31.113 31.700 -0.113 0.000 1.562 70 F N -2.090 117.832 119.950 -0.047 0.000 3.079 70 F HA -0.227 4.300 4.527 -0.000 0.000 0.274 70 F C 1.816 177.550 175.800 -0.110 0.000 0.940 70 F CA 0.266 58.239 58.000 -0.044 0.000 0.932 70 F CB -2.452 36.533 39.000 -0.025 0.000 0.891 70 F HN -0.023 nan 8.300 nan 0.000 0.722 71 V N 0.082 119.923 119.914 -0.122 0.000 2.490 71 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 71 V C 2.329 178.267 176.094 -0.259 0.000 1.061 71 V CA 2.527 64.655 62.300 -0.288 0.000 1.064 71 V CB -0.279 31.257 31.823 -0.479 0.000 0.670 71 V HN 0.541 nan 8.190 nan 0.000 0.461 72 H N 0.152 119.243 119.070 0.035 0.000 2.551 72 H HA 0.438 4.994 4.556 -0.000 0.000 0.266 72 H C 0.937 176.340 175.328 0.125 0.000 0.977 72 H CA 0.820 56.897 56.048 0.048 0.000 1.163 72 H CB 0.171 29.971 29.762 0.064 0.000 1.381 72 H HN 0.598 nan 8.280 nan 0.000 0.581 73 G N 0.116 109.039 108.800 0.206 0.000 2.326 73 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.413 73 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.413 73 G C -2.300 172.661 174.900 0.102 0.000 1.444 73 G CA -0.588 44.592 45.100 0.133 0.000 1.002 73 G HN -0.184 nan 8.290 nan 0.000 0.649 74 P HA 0.090 nan 4.420 nan 0.000 0.225 74 P C -0.111 177.106 177.300 -0.138 0.000 1.156 74 P CA 1.049 63.940 63.100 -0.349 0.000 0.787 74 P CB 0.050 31.209 31.700 -0.902 0.000 0.802 75 Y N -1.335 119.050 120.300 0.141 0.000 2.429 75 Y HA 0.603 5.153 4.550 -0.000 0.000 0.342 75 Y C 1.800 177.784 175.900 0.140 0.000 1.004 75 Y CA -1.468 56.709 58.100 0.129 0.000 1.075 75 Y CB 0.234 38.754 38.460 0.099 0.000 1.214 75 Y HN -0.205 nan 8.280 nan 0.000 0.455 76 A N 1.130 124.113 122.820 0.272 0.000 1.892 76 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 76 A C 1.957 179.634 177.584 0.155 0.000 1.188 76 A CA 2.764 54.910 52.037 0.181 0.000 0.631 76 A CB -1.210 17.856 19.000 0.111 0.000 0.822 76 A HN 0.877 nan 8.150 nan 0.000 0.447 77 T N -4.857 109.782 114.554 0.142 0.000 3.065 77 T HA 0.345 4.694 4.350 -0.000 0.000 0.252 77 T C 1.025 175.831 174.700 0.177 0.000 1.099 77 T CA 0.567 62.755 62.100 0.145 0.000 1.063 77 T CB -0.192 68.752 68.868 0.127 0.000 0.948 77 T HN 0.257 nan 8.240 nan 0.000 0.506 78 M N 0.764 120.479 119.600 0.192 0.000 7.319 78 M HA -0.270 4.210 4.480 -0.000 0.000 0.191 78 M C 1.028 177.445 176.300 0.195 0.000 0.480 78 M CA 1.618 56.953 55.300 0.058 0.000 1.311 78 M CB -2.122 30.296 32.600 -0.304 0.000 0.421 78 M HN 0.284 nan 8.290 nan 0.000 0.563 79 Y N 0.135 120.455 120.300 0.035 0.000 2.509 79 Y HA 0.252 4.802 4.550 -0.000 0.000 0.293 79 Y C 2.410 178.352 175.900 0.070 0.000 1.133 79 Y CA 1.090 59.228 58.100 0.064 0.000 1.283 79 Y CB -1.637 36.879 38.460 0.094 0.000 1.001 79 Y HN 0.628 nan 8.280 nan 0.000 0.555 80 A N -0.182 122.782 122.820 0.240 0.000 1.917 80 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 80 A C 2.111 179.819 177.584 0.207 0.000 1.182 80 A CA 1.979 54.125 52.037 0.182 0.000 0.633 80 A CB -1.027 18.067 19.000 0.157 0.000 0.819 80 A HN 0.423 nan 8.150 nan 0.000 0.448 81 F N -1.367 118.628 119.950 0.075 0.000 2.343 81 F HA 0.389 4.916 4.527 -0.000 0.000 0.286 81 F C 0.883 176.702 175.800 0.032 0.000 1.057 81 F CA 0.723 58.749 58.000 0.043 0.000 1.365 81 F CB 0.322 39.345 39.000 0.037 0.000 1.114 81 F HN 0.087 nan 8.300 nan 0.000 0.545 82 R N 0.872 121.353 120.500 -0.032 0.000 2.515 82 R HA 0.301 4.641 4.340 -0.000 0.000 0.278 82 R C -2.907 173.417 176.300 0.040 0.000 1.107 82 R CA -2.071 53.932 56.100 -0.161 0.000 0.945 82 R CB 1.845 32.020 30.300 -0.210 0.000 1.219 82 R HN -0.105 nan 8.270 nan 0.000 0.434 83 P HA 0.080 nan 4.420 nan 0.000 0.274 83 P C -0.669 176.431 177.300 -0.333 0.000 1.256 83 P CA -0.386 62.479 63.100 -0.392 0.000 0.795 83 P CB 0.442 31.716 31.700 -0.709 0.000 1.038 84 W N 0.428 121.452 121.300 -0.460 0.000 2.123 84 W HA 0.269 4.929 4.660 -0.000 0.000 0.351 84 W C -0.575 175.887 176.519 -0.096 0.000 1.292 84 W CA -0.336 56.926 57.345 -0.138 0.000 1.263 84 W CB -1.444 27.927 29.460 -0.149 0.000 1.165 84 W HN 0.151 nan 8.180 nan 0.000 0.590 85 T N 4.139 118.744 114.554 0.084 0.000 2.779 85 T HA 0.224 4.574 4.350 -0.000 0.000 0.296 85 T C 0.326 175.070 174.700 0.073 0.000 0.938 85 T CA -0.330 61.762 62.100 -0.013 0.000 1.119 85 T CB 0.109 69.012 68.868 0.059 0.000 0.891 85 T HN 0.309 nan 8.240 nan 0.000 0.526 86 I N 4.213 124.748 120.570 -0.057 0.000 2.421 86 I HA 0.188 4.358 4.170 -0.000 0.000 0.291 86 I C 0.980 177.147 176.117 0.083 0.000 1.089 86 I CA 0.251 61.596 61.300 0.075 0.000 1.354 86 I CB 0.161 38.146 38.000 -0.025 0.000 1.413 86 I HN 0.384 nan 8.210 nan 0.000 0.513 87 R N 6.456 127.054 120.500 0.163 0.000 2.513 87 R HA 0.213 4.553 4.340 -0.000 0.000 0.283 87 R C -0.929 175.499 176.300 0.214 0.000 1.535 87 R CA -0.657 55.522 56.100 0.130 0.000 1.315 87 R CB 0.754 31.120 30.300 0.110 0.000 1.163 87 R HN 0.541 nan 8.270 nan 0.000 0.573 88 Q N 3.045 122.954 119.800 0.182 0.000 2.279 88 Q HA 0.034 4.374 4.340 -0.000 0.000 0.256 88 Q C -0.718 175.485 176.000 0.338 0.000 0.937 88 Q CA -0.276 55.749 55.803 0.370 0.000 0.933 88 Q CB 1.268 30.118 28.738 0.186 0.000 1.189 88 Q HN 0.406 nan 8.270 nan 0.000 0.417 89 Y N 2.030 122.466 120.300 0.227 0.000 2.442 89 Y HA 0.309 4.859 4.550 -0.000 0.000 0.330 89 Y C -0.480 175.503 175.900 0.138 0.000 1.129 89 Y CA -0.426 57.648 58.100 -0.043 0.000 1.365 89 Y CB 0.386 38.647 38.460 -0.331 0.000 1.233 89 Y HN 0.664 nan 8.280 nan 0.000 0.529 90 A N 3.217 126.045 122.820 0.014 0.000 2.612 90 A HA 0.848 5.168 4.320 -0.000 0.000 0.293 90 A C -0.631 177.082 177.584 0.214 0.000 1.075 90 A CA -0.186 51.995 52.037 0.240 0.000 0.680 90 A CB 1.290 20.636 19.000 0.576 0.000 1.279 90 A HN 1.603 nan 8.150 nan 0.000 0.411 91 G N -0.204 108.752 108.800 0.260 0.000 2.238 91 G HA2 0.668 4.628 3.960 -0.000 0.000 0.276 91 G HA3 0.668 4.628 3.960 -0.000 0.000 0.276 91 G C -1.112 173.867 174.900 0.133 0.000 1.744 91 G CA 0.072 45.212 45.100 0.067 0.000 0.912 91 G HN 2.206 nan 8.290 nan 0.000 0.744 92 F N 0.767 120.640 119.950 -0.129 0.000 2.703 92 F HA 0.825 5.352 4.527 -0.000 0.000 0.308 92 F C 0.645 176.381 175.800 -0.107 0.000 1.126 92 F CA -0.027 57.906 58.000 -0.112 0.000 0.959 92 F CB 1.184 40.103 39.000 -0.135 0.000 1.297 92 F HN 1.563 nan 8.300 nan 0.000 0.441 93 S N 0.632 116.323 115.700 -0.016 0.000 4.137 93 S HA -0.262 4.208 4.470 -0.000 0.000 0.550 93 S C 0.448 174.936 174.600 -0.185 0.000 1.887 93 S CA 2.264 60.410 58.200 -0.091 0.000 4.230 93 S CB -1.919 61.245 63.200 -0.062 0.000 0.378 93 S HN 1.984 nan 8.310 nan 0.000 0.490 94 T N -0.369 114.034 114.554 -0.252 0.000 2.927 94 T HA 0.816 5.166 4.350 -0.000 0.000 0.281 94 T C 1.230 175.741 174.700 -0.315 0.000 0.998 94 T CA 0.274 62.243 62.100 -0.219 0.000 1.019 94 T CB 1.407 70.180 68.868 -0.159 0.000 1.061 94 T HN 1.284 nan 8.240 nan 0.000 0.518 95 A N 1.109 123.790 122.820 -0.232 0.000 1.908 95 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 95 A C 2.333 179.737 177.584 -0.298 0.000 1.181 95 A CA 2.045 53.923 52.037 -0.264 0.000 0.627 95 A CB -0.992 17.910 19.000 -0.163 0.000 0.818 95 A HN 0.986 nan 8.150 nan 0.000 0.445 96 K N -0.292 119.974 120.400 -0.224 0.000 2.009 96 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 96 K C 1.986 178.444 176.600 -0.236 0.000 1.049 96 K CA 1.928 58.101 56.287 -0.190 0.000 0.929 96 K CB -0.197 32.224 32.500 -0.131 0.000 0.714 96 K HN 0.642 nan 8.250 nan 0.000 0.440 97 E N -0.249 119.770 120.200 -0.301 0.000 2.072 97 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 97 E C 2.116 178.414 176.600 -0.504 0.000 0.985 97 E CA 1.432 57.620 56.400 -0.354 0.000 0.801 97 E CB 0.026 29.434 29.700 -0.485 0.000 0.750 97 E HN 0.205 nan 8.360 nan 0.000 0.452 98 S N 0.917 116.173 115.700 -0.740 0.000 2.356 98 S HA -0.200 4.270 4.470 -0.000 0.000 0.223 98 S C 1.781 175.837 174.600 -0.907 0.000 1.032 98 S CA 1.090 58.794 58.200 -0.827 0.000 1.005 98 S CB -0.424 62.269 63.200 -0.845 0.000 0.867 98 S HN 0.336 nan 8.310 nan 0.000 0.449 99 N N 1.663 119.960 118.700 -0.671 0.000 2.069 99 N HA -0.155 4.584 4.740 -0.000 0.000 0.191 99 N C 1.857 177.247 175.510 -0.201 0.000 1.031 99 N CA 1.525 54.308 53.050 -0.445 0.000 0.852 99 N CB -0.301 38.028 38.487 -0.264 0.000 1.018 99 N HN 0.377 nan 8.380 nan 0.000 0.423 100 A N 0.587 123.330 122.820 -0.128 0.000 1.902 100 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 100 A C 2.065 179.700 177.584 0.086 0.000 1.181 100 A CA 0.988 53.021 52.037 -0.007 0.000 0.623 100 A CB -1.082 17.925 19.000 0.010 0.000 0.818 100 A HN 0.466 nan 8.150 nan 0.000 0.443 101 F N -0.064 119.858 119.950 -0.047 0.000 2.095 101 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 101 F C 2.165 178.055 175.800 0.150 0.000 1.104 101 F CA 1.470 59.518 58.000 0.080 0.000 1.232 101 F CB -0.630 38.490 39.000 0.201 0.000 0.987 101 F HN 0.336 nan 8.300 nan 0.000 0.475 102 Y N 0.759 121.016 120.300 -0.072 0.000 2.128 102 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 102 Y C 2.692 178.529 175.900 -0.105 0.000 1.154 102 Y CA 1.545 59.564 58.100 -0.135 0.000 1.149 102 Y CB -1.478 36.947 38.460 -0.058 0.000 0.976 102 Y HN 0.088 nan 8.280 nan 0.000 0.505 103 R N -0.164 120.398 120.500 0.104 0.000 2.081 103 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 103 R C 2.399 178.711 176.300 0.021 0.000 1.131 103 R CA 1.332 57.467 56.100 0.059 0.000 0.960 103 R CB -0.313 30.017 30.300 0.051 0.000 0.856 103 R HN 0.329 nan 8.270 nan 0.000 0.436 104 R N 0.411 120.917 120.500 0.011 0.000 2.073 104 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 104 R C 1.966 178.235 176.300 -0.051 0.000 1.134 104 R CA 1.333 57.435 56.100 0.003 0.000 0.952 104 R CB -0.322 30.007 30.300 0.048 0.000 0.850 104 R HN 0.254 nan 8.270 nan 0.000 0.433 105 N N 0.916 119.529 118.700 -0.146 0.000 2.120 105 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 105 N C 1.889 177.346 175.510 -0.088 0.000 1.024 105 N CA 1.148 54.095 53.050 -0.171 0.000 0.852 105 N CB -0.228 38.076 38.487 -0.305 0.000 1.003 105 N HN 0.199 nan 8.380 nan 0.000 0.424 106 L N 0.365 121.556 121.223 -0.055 0.000 2.109 106 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 106 L C 2.317 179.173 176.870 -0.024 0.000 1.086 106 L CA 0.845 55.666 54.840 -0.032 0.000 0.760 106 L CB -0.391 41.666 42.059 -0.004 0.000 0.910 106 L HN 0.096 nan 8.230 nan 0.000 0.437 107 A N 0.026 122.837 122.820 -0.015 0.000 1.969 107 A HA -0.036 4.283 4.320 -0.000 0.000 0.218 107 A C 2.217 179.793 177.584 -0.014 0.000 1.169 107 A CA 1.434 53.466 52.037 -0.009 0.000 0.635 107 A CB -0.479 18.522 19.000 0.002 0.000 0.810 107 A HN 0.359 nan 8.150 nan 0.000 0.445 108 A N -1.815 120.993 122.820 -0.020 0.000 2.302 108 A HA 0.449 4.769 4.320 -0.000 0.000 0.219 108 A C 1.519 179.087 177.584 -0.026 0.000 1.243 108 A CA 1.056 53.083 52.037 -0.017 0.000 0.856 108 A CB -0.869 18.123 19.000 -0.014 0.000 0.893 108 A HN 1.759 nan 8.150 nan 0.000 0.491 109 G N -1.217 107.561 108.800 -0.036 0.000 2.184 109 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.206 109 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.206 109 G C 0.218 175.083 174.900 -0.058 0.000 0.995 109 G CA 0.151 45.222 45.100 -0.048 0.000 0.651 109 G HN 0.777 nan 8.290 nan 0.000 0.511 110 Q N 0.180 119.948 119.800 -0.054 0.000 2.392 110 Q HA 0.528 4.868 4.340 -0.000 0.000 0.262 110 Q C 1.423 177.388 176.000 -0.058 0.000 1.003 110 Q CA 0.598 56.369 55.803 -0.053 0.000 0.888 110 Q CB 0.848 29.550 28.738 -0.059 0.000 1.260 110 Q HN 0.200 nan 8.270 nan 0.000 0.435 111 K N 2.012 122.375 120.400 -0.062 0.000 2.262 111 K HA 0.278 4.598 4.320 -0.000 0.000 0.200 111 K C -0.093 176.476 176.600 -0.052 0.000 1.058 111 K CA 1.215 57.461 56.287 -0.069 0.000 0.974 111 K CB 0.372 32.811 32.500 -0.102 0.000 0.910 111 K HN 0.622 nan 8.250 nan 0.000 0.484 112 G N 0.269 109.041 108.800 -0.046 0.000 2.533 112 G HA2 0.551 4.511 3.960 -0.000 0.000 0.304 112 G HA3 0.551 4.511 3.960 -0.000 0.000 0.304 112 G C -1.336 173.521 174.900 -0.072 0.000 1.263 112 G CA -0.783 44.286 45.100 -0.051 0.000 0.964 112 G HN 0.100 nan 8.290 nan 0.000 0.479 113 L N 0.290 121.457 121.223 -0.093 0.000 2.416 113 L HA 0.713 5.053 4.340 -0.000 0.000 0.262 113 L C 0.481 177.252 176.870 -0.165 0.000 1.093 113 L CA -0.660 54.076 54.840 -0.175 0.000 0.801 113 L CB 1.900 43.861 42.059 -0.164 0.000 1.191 113 L HN 0.517 nan 8.230 nan 0.000 0.459 114 S N 0.774 116.352 115.700 -0.204 0.000 2.706 114 S HA 0.441 4.911 4.470 -0.000 0.000 0.270 114 S C -1.072 173.478 174.600 -0.084 0.000 1.163 114 S CA -0.580 57.562 58.200 -0.097 0.000 1.042 114 S CB 1.154 64.333 63.200 -0.035 0.000 1.079 114 S HN 0.223 nan 8.310 nan 0.000 0.474 115 V N 4.209 124.087 119.914 -0.061 0.000 2.432 115 V HA 0.747 4.867 4.120 -0.000 0.000 0.275 115 V C 0.665 176.581 176.094 -0.297 0.000 1.043 115 V CA -0.446 61.725 62.300 -0.215 0.000 0.925 115 V CB 1.070 32.686 31.823 -0.346 0.000 0.985 115 V HN 0.996 nan 8.190 nan 0.000 0.466 116 A N 5.600 128.114 122.820 -0.510 0.000 2.276 116 A HA 0.828 5.148 4.320 -0.000 0.000 0.316 116 A C -0.837 176.519 177.584 -0.379 0.000 1.229 116 A CA -0.302 51.416 52.037 -0.532 0.000 0.851 116 A CB 0.195 18.640 19.000 -0.925 0.000 1.165 116 A HN 0.624 nan 8.150 nan 0.000 0.513 117 F N 1.354 121.327 119.950 0.039 0.000 2.470 117 F HA 0.385 4.912 4.527 -0.000 0.000 0.329 117 F C 0.750 176.593 175.800 0.072 0.000 1.072 117 F CA -0.593 57.381 58.000 -0.043 0.000 0.989 117 F CB 1.449 40.275 39.000 -0.290 0.000 1.193 117 F HN 0.738 nan 8.300 nan 0.000 0.481 118 D N 0.984 121.529 120.400 0.243 0.000 2.363 118 D HA 0.032 4.671 4.640 -0.000 0.000 0.240 118 D C 0.984 177.468 176.300 0.307 0.000 1.236 118 D CA -0.179 53.955 54.000 0.223 0.000 0.927 118 D CB 0.572 41.455 40.800 0.139 0.000 1.150 118 D HN 0.501 nan 8.370 nan 0.000 0.458 119 L N 0.105 121.482 121.223 0.258 0.000 2.046 119 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 119 L C -0.598 176.382 176.870 0.182 0.000 1.077 119 L CA 1.168 56.150 54.840 0.237 0.000 0.747 119 L CB -1.505 40.647 42.059 0.155 0.000 0.896 119 L HN 0.360 nan 8.230 nan 0.000 0.432 120 P HA -0.159 nan 4.420 nan 0.000 0.215 120 P C 1.628 179.001 177.300 0.121 0.000 1.157 120 P CA 1.619 64.825 63.100 0.177 0.000 0.874 120 P CB -0.102 31.677 31.700 0.131 0.000 0.790 121 T N -1.548 113.046 114.554 0.066 0.000 2.684 121 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 121 T C 1.639 176.263 174.700 -0.127 0.000 1.036 121 T CA 1.365 63.443 62.100 -0.036 0.000 1.148 121 T CB -1.163 67.685 68.868 -0.034 0.000 0.863 121 T HN 0.258 nan 8.240 nan 0.000 0.436 122 H N 1.235 120.272 119.070 -0.055 0.000 2.353 122 H HA 0.014 4.570 4.556 -0.000 0.000 0.298 122 H C 2.047 177.261 175.328 -0.189 0.000 1.103 122 H CA 1.215 57.195 56.048 -0.113 0.000 1.293 122 H CB 0.001 29.724 29.762 -0.065 0.000 1.372 122 H HN 0.277 nan 8.280 nan 0.000 0.501 123 R N 0.162 120.620 120.500 -0.071 0.000 2.356 123 R HA 0.099 4.438 4.340 -0.000 0.000 0.234 123 R C 0.752 176.755 176.300 -0.496 0.000 0.929 123 R CA 0.412 56.350 56.100 -0.271 0.000 1.084 123 R CB 0.411 30.574 30.300 -0.229 0.000 1.105 123 R HN 0.339 nan 8.270 nan 0.000 0.515 124 G N 1.393 109.980 108.800 -0.354 0.000 2.273 124 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.280 124 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.280 124 G C -0.442 174.216 174.900 -0.403 0.000 1.047 124 G CA 0.218 45.113 45.100 -0.341 0.000 0.869 124 G HN 0.405 nan 8.290 nan 0.000 0.502 125 Y N 0.024 120.283 120.300 -0.068 0.000 2.360 125 Y HA 0.476 5.026 4.550 -0.000 0.000 0.337 125 Y C 0.632 176.511 175.900 -0.034 0.000 1.039 125 Y CA -1.166 56.905 58.100 -0.049 0.000 1.109 125 Y CB 1.402 39.830 38.460 -0.053 0.000 1.201 125 Y HN 0.086 nan 8.280 nan 0.000 0.458 126 D N 0.242 120.725 120.400 0.137 0.000 2.348 126 D HA 0.120 4.760 4.640 -0.000 0.000 0.249 126 D C 0.607 176.950 176.300 0.071 0.000 1.110 126 D CA -0.057 53.985 54.000 0.071 0.000 0.967 126 D CB 1.592 42.417 40.800 0.043 0.000 1.139 126 D HN 0.538 nan 8.370 nan 0.000 0.466 127 S N -0.005 115.723 115.700 0.047 0.000 2.481 127 S HA -0.139 4.330 4.470 -0.000 0.000 0.231 127 S C 0.933 175.547 174.600 0.024 0.000 0.996 127 S CA 0.597 58.819 58.200 0.036 0.000 0.942 127 S CB -0.118 63.100 63.200 0.030 0.000 0.768 127 S HN 0.521 nan 8.310 nan 0.000 0.520 128 D N 0.559 120.973 120.400 0.023 0.000 2.339 128 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 128 D C 0.172 176.480 176.300 0.013 0.000 1.050 128 D CA -0.201 53.808 54.000 0.015 0.000 0.856 128 D CB -0.571 40.239 40.800 0.016 0.000 0.922 128 D HN 0.086 nan 8.370 nan 0.000 0.518 129 N N 1.790 120.501 118.700 0.018 0.000 2.420 129 N HA 0.050 4.790 4.740 -0.000 0.000 0.262 129 N C -1.481 174.010 175.510 -0.031 0.000 1.144 129 N CA -1.390 51.665 53.050 0.008 0.000 0.952 129 N CB 1.626 40.136 38.487 0.039 0.000 1.081 129 N HN -0.144 nan 8.380 nan 0.000 0.480 130 P HA -0.187 nan 4.420 nan 0.000 0.216 130 P C 1.200 178.462 177.300 -0.065 0.000 1.154 130 P CA 1.161 64.239 63.100 -0.037 0.000 0.865 130 P CB 0.233 31.919 31.700 -0.024 0.000 0.789 131 R N 0.411 120.845 120.500 -0.109 0.000 2.193 131 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 131 R C 1.480 177.673 176.300 -0.178 0.000 1.110 131 R CA 1.482 57.490 56.100 -0.153 0.000 0.988 131 R CB -0.220 29.926 30.300 -0.256 0.000 0.871 131 R HN 0.220 nan 8.270 nan 0.000 0.458 132 V N -4.205 115.602 119.914 -0.178 0.000 3.528 132 V HA 0.379 4.499 4.120 -0.000 0.000 0.294 132 V C 1.729 177.793 176.094 -0.051 0.000 1.404 132 V CA 0.511 62.732 62.300 -0.131 0.000 1.065 132 V CB 0.373 32.105 31.823 -0.153 0.000 0.904 132 V HN 0.166 nan 8.190 nan 0.000 0.435 133 A N 2.173 124.969 122.820 -0.040 0.000 1.909 133 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 133 A C 2.298 179.875 177.584 -0.010 0.000 1.223 133 A CA 2.706 54.732 52.037 -0.019 0.000 0.658 133 A CB -1.517 17.472 19.000 -0.018 0.000 0.831 133 A HN 0.956 nan 8.150 nan 0.000 0.462 134 G N -1.652 107.141 108.800 -0.011 0.000 2.509 134 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.218 134 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.218 134 G C 0.933 175.835 174.900 0.003 0.000 1.124 134 G CA 1.125 46.220 45.100 -0.009 0.000 0.776 134 G HN 0.543 nan 8.290 nan 0.000 0.547 135 D N -0.276 120.134 120.400 0.017 0.000 2.379 135 D HA 0.089 4.729 4.640 -0.000 0.000 0.208 135 D C 0.794 177.123 176.300 0.048 0.000 1.065 135 D CA -0.089 53.937 54.000 0.043 0.000 0.848 135 D CB 0.867 41.701 40.800 0.058 0.000 0.949 135 D HN 0.018 nan 8.370 nan 0.000 0.509 136 V N 1.271 121.204 119.914 0.032 0.000 2.493 136 V HA 0.195 4.315 4.120 -0.000 0.000 0.292 136 V C 1.639 177.755 176.094 0.036 0.000 1.016 136 V CA 0.979 63.301 62.300 0.036 0.000 1.097 136 V CB 0.402 32.239 31.823 0.023 0.000 0.947 136 V HN 0.473 nan 8.190 nan 0.000 0.479 137 G N 5.164 113.993 108.800 0.047 0.000 2.212 137 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.267 137 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.267 137 G C 0.701 175.639 174.900 0.064 0.000 1.002 137 G CA 0.646 45.772 45.100 0.043 0.000 0.729 137 G HN 0.523 nan 8.290 nan 0.000 0.517 138 M N -0.664 118.979 119.600 0.072 0.000 2.287 138 M HA 0.297 4.777 4.480 -0.000 0.000 0.266 138 M C 2.556 178.916 176.300 0.101 0.000 1.079 138 M CA 1.705 57.050 55.300 0.074 0.000 1.146 138 M CB -0.781 31.852 32.600 0.055 0.000 1.374 138 M HN 0.699 nan 8.290 nan 0.000 0.435 139 A N -0.583 122.313 122.820 0.126 0.000 2.390 139 A HA 0.581 4.901 4.320 -0.000 0.000 0.232 139 A C 1.002 178.672 177.584 0.143 0.000 1.233 139 A CA 0.586 52.714 52.037 0.151 0.000 0.907 139 A CB 0.044 19.160 19.000 0.192 0.000 0.967 139 A HN 0.483 nan 8.150 nan 0.000 0.512 140 G N -1.697 107.175 108.800 0.121 0.000 2.321 140 G HA2 0.390 4.350 3.960 -0.000 0.000 0.296 140 G HA3 0.390 4.350 3.960 -0.000 0.000 0.296 140 G C -1.145 173.775 174.900 0.032 0.000 1.287 140 G CA 0.070 45.210 45.100 0.066 0.000 0.846 140 G HN 0.573 nan 8.290 nan 0.000 0.508 141 V N 0.942 120.822 119.914 -0.058 0.000 2.572 141 V HA 0.509 4.629 4.120 -0.000 0.000 0.291 141 V C 1.010 177.112 176.094 0.014 0.000 1.039 141 V CA 0.394 62.633 62.300 -0.103 0.000 1.055 141 V CB 0.673 32.360 31.823 -0.227 0.000 0.969 141 V HN 1.720 nan 8.190 nan 0.000 0.482 142 A N 8.786 131.605 122.820 -0.002 0.000 2.395 142 A HA 0.547 4.867 4.320 -0.000 0.000 0.286 142 A C -0.340 177.282 177.584 0.063 0.000 1.193 142 A CA -0.223 51.840 52.037 0.043 0.000 0.852 142 A CB -0.340 18.670 19.000 0.017 0.000 1.118 142 A HN 0.645 nan 8.150 nan 0.000 0.524 143 I N 3.077 123.715 120.570 0.114 0.000 2.418 143 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 143 I C -0.377 175.775 176.117 0.059 0.000 1.008 143 I CA -0.277 61.091 61.300 0.113 0.000 1.104 143 I CB 1.691 39.816 38.000 0.209 0.000 1.264 143 I HN 0.657 nan 8.210 nan 0.000 0.438 144 D N 2.774 123.199 120.400 0.042 0.000 2.469 144 D HA 0.097 4.737 4.640 -0.000 0.000 0.240 144 D C 0.730 177.023 176.300 -0.013 0.000 1.087 144 D CA 0.687 54.695 54.000 0.014 0.000 0.876 144 D CB 1.349 42.158 40.800 0.015 0.000 1.160 144 D HN 0.610 nan 8.370 nan 0.000 0.497 145 S N -0.898 114.800 115.700 -0.004 0.000 2.694 145 S HA 0.161 4.630 4.470 -0.000 0.000 0.273 145 S C 0.645 175.244 174.600 -0.002 0.000 1.180 145 S CA -0.616 57.555 58.200 -0.049 0.000 0.864 145 S CB 0.736 63.841 63.200 -0.159 0.000 1.198 145 S HN -0.157 nan 8.310 nan 0.000 0.499 146 I N 1.331 121.886 120.570 -0.024 0.000 2.236 146 I HA -0.144 4.026 4.170 -0.000 0.000 0.249 146 I C 2.025 178.240 176.117 0.164 0.000 1.102 146 I CA 1.632 62.962 61.300 0.050 0.000 1.365 146 I CB -0.693 37.321 38.000 0.024 0.000 1.051 146 I HN 0.714 nan 8.210 nan 0.000 0.420 147 Y N 0.461 120.770 120.300 0.016 0.000 2.069 147 Y HA -0.366 4.184 4.550 -0.000 0.000 0.278 147 Y C 2.531 178.435 175.900 0.007 0.000 1.175 147 Y CA 1.094 59.199 58.100 0.007 0.000 1.134 147 Y CB -0.486 37.974 38.460 0.000 0.000 0.965 147 Y HN 0.286 nan 8.280 nan 0.000 0.498 148 D N -0.196 120.310 120.400 0.177 0.000 2.097 148 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 148 D C 2.180 178.531 176.300 0.085 0.000 0.984 148 D CA 1.152 55.205 54.000 0.089 0.000 0.826 148 D CB -0.255 40.593 40.800 0.080 0.000 0.973 148 D HN 0.295 nan 8.370 nan 0.000 0.460 149 M N 0.574 120.258 119.600 0.140 0.000 2.108 149 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 149 M C 2.252 178.677 176.300 0.208 0.000 1.066 149 M CA 1.136 56.562 55.300 0.210 0.000 1.107 149 M CB -0.778 31.978 32.600 0.259 0.000 1.356 149 M HN -0.011 nan 8.290 nan 0.000 0.406 150 R N 0.119 120.709 120.500 0.151 0.000 2.081 150 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 150 R C 2.107 178.451 176.300 0.073 0.000 1.131 150 R CA 1.590 57.763 56.100 0.121 0.000 0.960 150 R CB -0.094 30.261 30.300 0.092 0.000 0.856 150 R HN 0.496 nan 8.270 nan 0.000 0.436 151 E N 0.164 120.377 120.200 0.022 0.000 2.072 151 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 151 E C 1.889 178.426 176.600 -0.105 0.000 0.985 151 E CA 0.769 57.145 56.400 -0.040 0.000 0.801 151 E CB -0.083 29.579 29.700 -0.063 0.000 0.750 151 E HN 0.079 nan 8.360 nan 0.000 0.452 152 L N 0.102 121.220 121.223 -0.175 0.000 2.013 152 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 152 L C 1.417 177.969 176.870 -0.531 0.000 1.073 152 L CA 1.790 56.374 54.840 -0.427 0.000 0.753 152 L CB -0.322 41.348 42.059 -0.648 0.000 0.890 152 L HN 0.098 nan 8.230 nan 0.000 0.432 153 F N -0.493 119.526 119.950 0.114 0.000 2.645 153 F HA 0.412 4.939 4.527 -0.000 0.000 0.300 153 F C 1.105 176.944 175.800 0.064 0.000 1.115 153 F CA -0.127 57.945 58.000 0.120 0.000 1.355 153 F CB -0.715 38.366 39.000 0.134 0.000 1.026 153 F HN -0.004 nan 8.300 nan 0.000 0.536 154 A N 0.406 123.286 122.820 0.101 0.000 2.454 154 A HA 0.477 4.797 4.320 -0.000 0.000 0.260 154 A C 1.416 179.041 177.584 0.069 0.000 1.106 154 A CA 0.516 52.595 52.037 0.069 0.000 0.780 154 A CB -0.444 18.567 19.000 0.019 0.000 1.044 154 A HN 0.878 nan 8.150 nan 0.000 0.498 155 G N 1.328 110.170 108.800 0.070 0.000 2.143 155 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.249 155 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.249 155 G C -0.055 174.896 174.900 0.086 0.000 0.981 155 G CA 0.440 45.576 45.100 0.061 0.000 0.665 155 G HN 0.937 nan 8.290 nan 0.000 0.528 156 I N 1.249 121.896 120.570 0.128 0.000 2.495 156 I HA 0.270 4.439 4.170 -0.000 0.000 0.277 156 I C -2.407 173.788 176.117 0.130 0.000 1.045 156 I CA -2.314 59.081 61.300 0.157 0.000 1.135 156 I CB 2.093 40.257 38.000 0.273 0.000 1.241 156 I HN -0.198 nan 8.210 nan 0.000 0.469 157 P HA 0.080 nan 4.420 nan 0.000 0.260 157 P C 0.899 178.221 177.300 0.037 0.000 1.207 157 P CA 0.169 63.296 63.100 0.045 0.000 0.780 157 P CB 0.506 32.226 31.700 0.032 0.000 0.789 158 L N 2.390 123.613 121.223 -0.000 0.000 2.362 158 L HA -0.129 4.211 4.340 -0.000 0.000 0.219 158 L C 1.731 178.610 176.870 0.015 0.000 1.134 158 L CA 1.169 55.992 54.840 -0.028 0.000 0.807 158 L CB -0.561 41.383 42.059 -0.192 0.000 0.927 158 L HN 0.393 nan 8.230 nan 0.000 0.447 159 D N -0.832 119.576 120.400 0.013 0.000 2.323 159 D HA -0.167 4.473 4.640 -0.000 0.000 0.209 159 D C 1.719 178.039 176.300 0.033 0.000 0.973 159 D CA 0.747 54.762 54.000 0.026 0.000 0.874 159 D CB 0.019 40.826 40.800 0.013 0.000 0.930 159 D HN 0.418 nan 8.370 nan 0.000 0.521 160 Q N -1.218 118.600 119.800 0.031 0.000 2.402 160 Q HA 0.193 4.533 4.340 -0.000 0.000 0.231 160 Q C 0.305 176.324 176.000 0.031 0.000 0.888 160 Q CA -0.164 55.655 55.803 0.026 0.000 0.938 160 Q CB 0.631 29.381 28.738 0.020 0.000 1.086 160 Q HN 0.125 nan 8.270 nan 0.000 0.543 161 M N 0.521 120.149 119.600 0.046 0.000 2.363 161 M HA 0.268 4.748 4.480 -0.000 0.000 0.343 161 M C -0.676 175.655 176.300 0.052 0.000 1.165 161 M CA -0.686 54.642 55.300 0.046 0.000 1.046 161 M CB 1.885 34.529 32.600 0.072 0.000 1.648 161 M HN -0.199 nan 8.290 nan 0.000 0.452 162 S N 3.738 119.446 115.700 0.014 0.000 2.452 162 S HA 0.667 5.137 4.470 -0.000 0.000 0.284 162 S C -1.231 173.339 174.600 -0.050 0.000 1.171 162 S CA -0.632 57.553 58.200 -0.024 0.000 1.064 162 S CB -0.028 63.137 63.200 -0.059 0.000 0.967 162 S HN 0.567 nan 8.310 nan 0.000 0.484 163 V N 4.962 124.833 119.914 -0.073 0.000 2.409 163 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 163 V C 0.258 176.204 176.094 -0.246 0.000 1.020 163 V CA -0.742 61.492 62.300 -0.110 0.000 0.848 163 V CB 1.584 33.353 31.823 -0.089 0.000 0.990 163 V HN 0.858 nan 8.190 nan 0.000 0.430 164 S N 5.889 121.463 115.700 -0.209 0.000 2.578 164 S HA 0.784 5.254 4.470 -0.000 0.000 0.283 164 S C -0.576 173.966 174.600 -0.097 0.000 1.195 164 S CA -0.578 57.470 58.200 -0.252 0.000 1.050 164 S CB 0.862 63.877 63.200 -0.309 0.000 1.012 164 S HN 0.656 nan 8.310 nan 0.000 0.511 165 M N 3.211 122.804 119.600 -0.011 0.000 2.197 165 M HA 0.257 4.737 4.480 -0.000 0.000 0.301 165 M C -0.839 175.614 176.300 0.255 0.000 0.987 165 M CA -0.388 55.041 55.300 0.215 0.000 0.921 165 M CB 2.278 35.066 32.600 0.315 0.000 1.569 165 M HN 0.538 nan 8.290 nan 0.000 0.431 166 T N 4.346 119.143 114.554 0.405 0.000 2.863 166 T HA 0.532 4.881 4.350 -0.000 0.000 0.299 166 T C -0.656 174.288 174.700 0.408 0.000 0.973 166 T CA -0.152 62.159 62.100 0.351 0.000 0.994 166 T CB -0.240 68.880 68.868 0.421 0.000 0.961 166 T HN 0.509 nan 8.240 nan 0.000 0.552 167 M N 3.730 123.433 119.600 0.172 0.000 2.274 167 M HA 0.407 4.887 4.480 -0.000 0.000 0.272 167 M C -0.697 175.597 176.300 -0.010 0.000 1.053 167 M CA -0.499 54.788 55.300 -0.021 0.000 0.978 167 M CB 1.270 33.674 32.600 -0.326 0.000 1.836 167 M HN 0.232 nan 8.290 nan 0.000 0.484 168 N N 1.868 120.573 118.700 0.008 0.000 2.594 168 N HA 0.190 4.930 4.740 -0.000 0.000 0.237 168 N C 1.059 176.536 175.510 -0.054 0.000 1.057 168 N CA 0.759 53.789 53.050 -0.033 0.000 0.883 168 N CB 0.383 38.837 38.487 -0.054 0.000 1.538 168 N HN 0.767 nan 8.380 nan 0.000 0.451 169 G N 1.417 110.181 108.800 -0.059 0.000 2.464 169 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.214 169 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.214 169 G C 0.935 175.784 174.900 -0.085 0.000 1.218 169 G CA 0.956 45.991 45.100 -0.109 0.000 0.794 169 G HN 0.355 nan 8.290 nan 0.000 0.542 170 A N 0.217 122.964 122.820 -0.122 0.000 2.929 170 A HA 0.568 4.888 4.320 -0.000 0.000 0.279 170 A C 1.725 179.228 177.584 -0.134 0.000 1.418 170 A CA 0.135 52.102 52.037 -0.116 0.000 1.035 170 A CB -0.105 18.792 19.000 -0.171 0.000 1.047 170 A HN 0.339 nan 8.150 nan 0.000 0.609 171 V N -0.010 119.845 119.914 -0.098 0.000 2.287 171 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 171 V C 2.250 178.288 176.094 -0.094 0.000 1.053 171 V CA 2.524 64.765 62.300 -0.099 0.000 1.027 171 V CB -0.473 31.310 31.823 -0.066 0.000 0.646 171 V HN 0.751 nan 8.190 nan 0.000 0.447 172 L N 0.682 121.865 121.223 -0.067 0.000 1.955 172 L HA -0.109 4.231 4.340 -0.000 0.000 0.213 172 L C 0.282 177.094 176.870 -0.096 0.000 1.072 172 L CA 2.444 57.234 54.840 -0.082 0.000 0.755 172 L CB -2.087 39.940 42.059 -0.055 0.000 0.888 172 L HN 0.353 nan 8.230 nan 0.000 0.432 173 P HA -0.154 nan 4.420 nan 0.000 0.217 173 P C 1.841 179.087 177.300 -0.091 0.000 1.151 173 P CA 1.420 64.469 63.100 -0.084 0.000 0.828 173 P CB -0.008 31.647 31.700 -0.075 0.000 0.788 174 I N -0.547 119.943 120.570 -0.132 0.000 2.202 174 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 174 I C 2.499 178.598 176.117 -0.030 0.000 1.091 174 I CA 0.955 62.175 61.300 -0.132 0.000 1.368 174 I CB -1.628 36.149 38.000 -0.371 0.000 1.058 174 I HN -0.057 nan 8.210 nan 0.000 0.410 175 L N 1.526 122.711 121.223 -0.062 0.000 2.012 175 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 175 L C 2.565 179.389 176.870 -0.077 0.000 1.073 175 L CA 2.289 57.090 54.840 -0.065 0.000 0.748 175 L CB -0.897 41.094 42.059 -0.114 0.000 0.891 175 L HN 0.202 nan 8.230 nan 0.000 0.431 176 A N -0.709 122.044 122.820 -0.112 0.000 1.902 176 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 176 A C 2.260 179.806 177.584 -0.062 0.000 1.181 176 A CA 1.895 53.856 52.037 -0.126 0.000 0.623 176 A CB -0.894 18.030 19.000 -0.126 0.000 0.818 176 A HN 0.504 nan 8.150 nan 0.000 0.443 177 L N -2.122 119.094 121.223 -0.012 0.000 2.131 177 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 177 L C 2.543 179.458 176.870 0.075 0.000 1.092 177 L CA 1.500 56.359 54.840 0.031 0.000 0.759 177 L CB -0.557 41.536 42.059 0.056 0.000 0.903 177 L HN 0.601 nan 8.230 nan 0.000 0.435 178 Y N 0.273 120.563 120.300 -0.017 0.000 2.163 178 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 178 Y C 2.392 178.216 175.900 -0.126 0.000 1.136 178 Y CA 1.571 59.642 58.100 -0.047 0.000 1.147 178 Y CB -0.236 38.175 38.460 -0.080 0.000 0.987 178 Y HN -0.166 nan 8.280 nan 0.000 0.509 179 V N -0.873 118.951 119.914 -0.150 0.000 2.343 179 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 179 V C 2.329 178.322 176.094 -0.169 0.000 1.051 179 V CA 1.827 64.011 62.300 -0.195 0.000 1.036 179 V CB -0.925 30.814 31.823 -0.140 0.000 0.654 179 V HN 0.343 nan 8.190 nan 0.000 0.451 180 V N -0.223 119.623 119.914 -0.113 0.000 2.358 180 V HA -0.250 3.869 4.120 -0.000 0.000 0.246 180 V C 2.551 178.595 176.094 -0.083 0.000 1.047 180 V CA 2.511 64.765 62.300 -0.076 0.000 1.035 180 V CB -1.020 30.777 31.823 -0.044 0.000 0.658 180 V HN 0.611 nan 8.190 nan 0.000 0.452 181 T N 0.464 114.956 114.554 -0.104 0.000 2.746 181 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 181 T C 2.098 176.704 174.700 -0.157 0.000 1.039 181 T CA 1.642 63.690 62.100 -0.086 0.000 1.142 181 T CB -0.436 68.410 68.868 -0.037 0.000 0.866 181 T HN 0.573 nan 8.240 nan 0.000 0.444 182 A N 1.507 124.147 122.820 -0.299 0.000 1.851 182 A HA -0.197 4.122 4.320 -0.000 0.000 0.216 182 A C 2.210 179.710 177.584 -0.141 0.000 1.195 182 A CA 2.124 53.997 52.037 -0.273 0.000 0.622 182 A CB -0.870 17.914 19.000 -0.361 0.000 0.831 182 A HN 0.620 nan 8.150 nan 0.000 0.444 183 E N -0.025 120.106 120.200 -0.117 0.000 2.065 183 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 183 E C 1.835 178.407 176.600 -0.046 0.000 1.016 183 E CA 1.827 58.187 56.400 -0.066 0.000 0.818 183 E CB -0.261 29.407 29.700 -0.054 0.000 0.749 183 E HN 0.752 nan 8.360 nan 0.000 0.453 184 E N -0.221 119.957 120.200 -0.038 0.000 2.331 184 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 184 E C 1.963 178.554 176.600 -0.015 0.000 1.008 184 E CA 0.831 57.220 56.400 -0.018 0.000 0.843 184 E CB -0.034 29.664 29.700 -0.003 0.000 0.761 184 E HN 0.456 nan 8.360 nan 0.000 0.507 185 Q N -0.746 119.039 119.800 -0.025 0.000 2.392 185 Q HA 0.090 4.430 4.340 -0.000 0.000 0.203 185 Q C 0.932 176.920 176.000 -0.019 0.000 0.917 185 Q CA 0.438 56.230 55.803 -0.019 0.000 0.939 185 Q CB 1.025 29.747 28.738 -0.028 0.000 1.063 185 Q HN 0.375 nan 8.270 nan 0.000 0.516 186 G N 0.899 109.685 108.800 -0.024 0.000 2.132 186 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.228 186 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.228 186 G C -0.086 174.799 174.900 -0.024 0.000 1.000 186 G CA -0.041 45.047 45.100 -0.020 0.000 0.693 186 G HN 0.181 nan 8.290 nan 0.000 0.515 187 V N 0.791 120.681 119.914 -0.040 0.000 2.398 187 V HA 0.483 4.603 4.120 -0.000 0.000 0.286 187 V C 0.678 176.744 176.094 -0.046 0.000 1.026 187 V CA -0.764 61.511 62.300 -0.041 0.000 0.868 187 V CB 1.642 33.429 31.823 -0.059 0.000 0.982 187 V HN 0.318 nan 8.190 nan 0.000 0.443 188 K N 4.964 125.348 120.400 -0.026 0.000 2.098 188 K HA 0.344 4.664 4.320 -0.000 0.000 0.257 188 K C -1.687 174.904 176.600 -0.016 0.000 0.999 188 K CA -1.591 54.684 56.287 -0.020 0.000 0.924 188 K CB 1.025 33.521 32.500 -0.008 0.000 1.028 188 K HN 0.278 nan 8.250 nan 0.000 0.466 189 P HA -0.265 nan 4.420 nan 0.000 0.216 189 P C 0.898 178.213 177.300 0.026 0.000 1.153 189 P CA 1.426 64.528 63.100 0.004 0.000 0.858 189 P CB 0.127 31.851 31.700 0.039 0.000 0.789 190 E N 0.356 120.568 120.200 0.021 0.000 2.204 190 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 190 E C 1.503 178.137 176.600 0.058 0.000 0.990 190 E CA 1.183 57.603 56.400 0.034 0.000 0.821 190 E CB -0.985 28.723 29.700 0.013 0.000 0.750 190 E HN 0.433 nan 8.360 nan 0.000 0.477 191 Q N 0.499 120.330 119.800 0.052 0.000 2.403 191 Q HA 0.216 4.556 4.340 -0.000 0.000 0.203 191 Q C 0.371 176.431 176.000 0.101 0.000 0.932 191 Q CA -0.036 55.803 55.803 0.060 0.000 0.945 191 Q CB 0.229 28.987 28.738 0.034 0.000 1.045 191 Q HN 0.251 nan 8.270 nan 0.000 0.511 192 L N 1.458 122.771 121.223 0.149 0.000 2.315 192 L HA 0.350 4.690 4.340 -0.000 0.000 0.283 192 L C -0.137 176.991 176.870 0.429 0.000 1.089 192 L CA -0.744 54.262 54.840 0.276 0.000 0.833 192 L CB 0.683 42.896 42.059 0.257 0.000 1.170 192 L HN -0.017 nan 8.230 nan 0.000 0.442 193 A N 3.128 126.140 122.820 0.320 0.000 2.292 193 A HA 0.913 5.233 4.320 -0.000 0.000 0.319 193 A C 0.290 177.877 177.584 0.004 0.000 1.206 193 A CA 0.208 52.344 52.037 0.165 0.000 0.835 193 A CB 1.246 20.280 19.000 0.057 0.000 1.164 193 A HN 0.843 nan 8.150 nan 0.000 0.505 194 G N 0.048 108.558 108.800 -0.484 0.000 2.333 194 G HA2 0.522 4.482 3.960 -0.000 0.000 0.288 194 G HA3 0.522 4.482 3.960 -0.000 0.000 0.288 194 G C -0.994 172.915 174.900 -1.653 0.000 1.286 194 G CA -0.019 44.469 45.100 -1.020 0.000 0.865 194 G HN 0.995 nan 8.290 nan 0.000 0.506 195 T N -0.040 113.671 114.554 -1.405 0.000 2.933 195 T HA 0.602 4.952 4.350 -0.000 0.000 0.305 195 T C -1.156 173.288 174.700 -0.426 0.000 1.092 195 T CA -0.233 61.303 62.100 -0.940 0.000 1.008 195 T CB 1.976 70.534 68.868 -0.517 0.000 1.102 195 T HN 0.922 nan 8.240 nan 0.000 0.469 196 I N 2.101 122.623 120.570 -0.080 0.000 2.474 196 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 196 I C 1.338 177.458 176.117 0.004 0.000 1.005 196 I CA -0.481 60.907 61.300 0.147 0.000 1.113 196 I CB 1.890 40.095 38.000 0.343 0.000 1.289 196 I HN 0.763 nan 8.210 nan 0.000 0.436 197 Q N 4.557 124.356 119.800 -0.003 0.000 2.016 197 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 197 Q C 0.697 176.665 176.000 -0.053 0.000 0.978 197 Q CA 1.629 57.413 55.803 -0.033 0.000 0.833 197 Q CB -0.023 28.723 28.738 0.015 0.000 0.895 197 Q HN 0.806 nan 8.270 nan 0.000 0.427 198 N N 1.561 120.232 118.700 -0.049 0.000 2.701 198 N HA -0.199 4.541 4.740 -0.000 0.000 0.252 198 N C -1.881 173.532 175.510 -0.162 0.000 1.002 198 N CA 1.161 54.152 53.050 -0.099 0.000 0.758 198 N CB -0.997 37.433 38.487 -0.096 0.000 0.937 198 N HN 0.405 nan 8.380 nan 0.000 0.538 199 D N -0.051 120.288 120.400 -0.103 0.000 2.464 199 D HA 0.228 4.868 4.640 -0.000 0.000 0.243 199 D C 0.884 177.202 176.300 0.031 0.000 1.104 199 D CA -0.601 53.371 54.000 -0.047 0.000 0.883 199 D CB 0.194 40.987 40.800 -0.011 0.000 1.050 199 D HN 0.207 nan 8.370 nan 0.000 0.524 200 I N 3.678 124.309 120.570 0.101 0.000 2.716 200 I HA -0.013 4.157 4.170 -0.000 0.000 0.259 200 I C 1.965 178.148 176.117 0.110 0.000 1.172 200 I CA 0.598 61.922 61.300 0.042 0.000 1.478 200 I CB 0.144 38.191 38.000 0.078 0.000 1.104 200 I HN 0.484 nan 8.210 nan 0.000 0.439 201 L N 0.542 121.910 121.223 0.242 0.000 2.042 201 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 201 L C 2.363 179.314 176.870 0.134 0.000 1.076 201 L CA 1.944 56.900 54.840 0.194 0.000 0.749 201 L CB -0.925 41.165 42.059 0.052 0.000 0.893 201 L HN 0.284 nan 8.230 nan 0.000 0.432 202 K N -0.810 119.639 120.400 0.081 0.000 2.366 202 K HA -0.083 4.237 4.320 -0.000 0.000 0.198 202 K C 1.685 178.261 176.600 -0.040 0.000 1.044 202 K CA 0.779 57.085 56.287 0.032 0.000 0.973 202 K CB -0.189 32.331 32.500 0.033 0.000 0.767 202 K HN 0.118 nan 8.250 nan 0.000 0.475 203 E N 0.824 120.957 120.200 -0.112 0.000 2.031 203 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 203 E C 1.833 178.377 176.600 -0.095 0.000 0.994 203 E CA 1.338 57.617 56.400 -0.201 0.000 0.800 203 E CB -0.421 29.073 29.700 -0.345 0.000 0.752 203 E HN 0.450 nan 8.360 nan 0.000 0.447 204 F N 0.520 120.546 119.950 0.128 0.000 2.146 204 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 204 F C 2.656 178.494 175.800 0.063 0.000 1.096 204 F CA 0.884 58.916 58.000 0.054 0.000 1.275 204 F CB -0.320 38.565 39.000 -0.193 0.000 1.008 204 F HN -0.002 nan 8.300 nan 0.000 0.480 205 M N 0.183 119.891 119.600 0.180 0.000 2.156 205 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 205 M C 1.612 177.967 176.300 0.091 0.000 1.067 205 M CA 2.052 57.416 55.300 0.106 0.000 1.131 205 M CB 0.118 32.753 32.600 0.059 0.000 1.368 205 M HN 0.131 nan 8.290 nan 0.000 0.416 206 V N -5.240 114.713 119.914 0.065 0.000 3.119 206 V HA 0.223 4.342 4.120 -0.000 0.000 0.245 206 V C 1.687 177.781 176.094 -0.001 0.000 1.598 206 V CA -0.014 62.311 62.300 0.042 0.000 1.116 206 V CB -0.451 31.401 31.823 0.048 0.000 0.981 206 V HN 0.358 nan 8.190 nan 0.000 0.430 207 R N 0.866 121.330 120.500 -0.059 0.000 2.193 207 R HA 0.104 4.444 4.340 -0.000 0.000 0.213 207 R C 0.620 176.820 176.300 -0.167 0.000 1.055 207 R CA 0.943 56.959 56.100 -0.140 0.000 0.995 207 R CB 0.002 30.137 30.300 -0.275 0.000 0.893 207 R HN 0.647 nan 8.270 nan 0.000 0.459 208 N N 0.555 119.167 118.700 -0.147 0.000 2.735 208 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 208 N C -0.499 174.752 175.510 -0.431 0.000 1.083 208 N CA 1.641 54.531 53.050 -0.267 0.000 0.703 208 N CB -1.503 36.932 38.487 -0.088 0.000 1.005 208 N HN 0.520 nan 8.380 nan 0.000 0.550 209 T N -3.726 110.532 114.554 -0.494 0.000 3.339 209 T HA 0.242 4.592 4.350 -0.000 0.000 0.292 209 T C 0.491 174.939 174.700 -0.420 0.000 1.012 209 T CA -0.707 61.140 62.100 -0.422 0.000 0.937 209 T CB -0.333 68.348 68.868 -0.312 0.000 1.164 209 T HN 0.263 nan 8.240 nan 0.000 0.509 210 Y N -0.026 120.102 120.300 -0.287 0.000 2.330 210 Y HA 0.688 5.238 4.550 -0.000 0.000 0.341 210 Y C 0.958 176.683 175.900 -0.292 0.000 1.278 210 Y CA -1.760 56.089 58.100 -0.419 0.000 1.453 210 Y CB 0.305 38.278 38.460 -0.812 0.000 1.342 210 Y HN -0.012 nan 8.280 nan 0.000 0.590 211 I N -1.554 118.944 120.570 -0.120 0.000 3.674 211 I HA 0.121 4.291 4.170 -0.000 0.000 0.248 211 I C -0.267 175.680 176.117 -0.283 0.000 1.134 211 I CA -0.593 60.465 61.300 -0.404 0.000 1.519 211 I CB 0.088 37.505 38.000 -0.972 0.000 1.598 211 I HN 0.478 nan 8.210 nan 0.000 0.442 212 Y N 1.962 122.365 120.300 0.172 0.000 2.334 212 Y HA 0.359 4.909 4.550 -0.000 0.000 0.325 212 Y C -2.247 173.769 175.900 0.193 0.000 1.308 212 Y CA -2.626 55.574 58.100 0.167 0.000 1.389 212 Y CB -0.733 37.762 38.460 0.057 0.000 1.328 212 Y HN -0.085 nan 8.280 nan 0.000 0.532 213 P HA 0.043 nan 4.420 nan 0.000 0.271 213 P C -2.119 175.127 177.300 -0.091 0.000 1.233 213 P CA -1.114 62.037 63.100 0.086 0.000 0.789 213 P CB 0.218 31.990 31.700 0.121 0.000 0.951 214 P HA -0.273 nan 4.420 nan 0.000 0.214 214 P C 1.697 178.873 177.300 -0.207 0.000 1.169 214 P CA 1.677 64.501 63.100 -0.460 0.000 0.908 214 P CB -0.259 31.006 31.700 -0.725 0.000 0.791 215 Q N -0.576 119.102 119.800 -0.204 0.000 1.998 215 Q HA -0.178 4.162 4.340 -0.000 0.000 0.209 215 Q C -0.662 175.201 176.000 -0.228 0.000 1.002 215 Q CA 3.170 58.868 55.803 -0.175 0.000 0.858 215 Q CB -2.114 26.537 28.738 -0.144 0.000 0.932 215 Q HN 0.204 nan 8.270 nan 0.000 0.416 216 P HA -0.042 nan 4.420 nan 0.000 0.217 216 P C 1.463 178.453 177.300 -0.516 0.000 1.150 216 P CA 1.351 64.019 63.100 -0.721 0.000 0.832 216 P CB -0.199 30.655 31.700 -1.411 0.000 0.787 217 S N -0.480 115.087 115.700 -0.221 0.000 2.356 217 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 217 S C 1.993 176.562 174.600 -0.052 0.000 1.032 217 S CA 1.284 59.469 58.200 -0.025 0.000 1.005 217 S CB -0.750 62.548 63.200 0.163 0.000 0.867 217 S HN 0.068 nan 8.310 nan 0.000 0.449 218 M N 0.981 120.549 119.600 -0.052 0.000 2.159 218 M HA -0.049 4.431 4.480 -0.000 0.000 0.263 218 M C 2.249 178.486 176.300 -0.105 0.000 1.063 218 M CA 1.256 56.535 55.300 -0.035 0.000 1.110 218 M CB -1.094 31.491 32.600 -0.024 0.000 1.374 218 M HN 0.316 nan 8.290 nan 0.000 0.411 219 R N 0.767 121.173 120.500 -0.156 0.000 2.075 219 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 219 R C 2.090 178.295 176.300 -0.158 0.000 1.126 219 R CA 1.253 57.261 56.100 -0.153 0.000 0.963 219 R CB -0.308 29.890 30.300 -0.170 0.000 0.858 219 R HN 0.282 nan 8.270 nan 0.000 0.435 220 I N 0.958 121.428 120.570 -0.167 0.000 2.151 220 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 220 I C 2.355 178.355 176.117 -0.195 0.000 1.080 220 I CA 1.574 62.795 61.300 -0.132 0.000 1.339 220 I CB -0.239 37.710 38.000 -0.085 0.000 1.039 220 I HN 0.251 nan 8.210 nan 0.000 0.409 221 I N 0.336 120.748 120.570 -0.263 0.000 2.142 221 I HA -0.344 3.826 4.170 -0.000 0.000 0.240 221 I C 2.843 178.494 176.117 -0.776 0.000 1.078 221 I CA 1.885 62.888 61.300 -0.496 0.000 1.343 221 I CB -0.511 37.210 38.000 -0.464 0.000 1.046 221 I HN 0.354 nan 8.210 nan 0.000 0.405 222 S N 0.622 115.998 115.700 -0.539 0.000 2.387 222 S HA -0.252 4.217 4.470 -0.000 0.000 0.230 222 S C 1.790 176.261 174.600 -0.214 0.000 1.035 222 S CA 1.573 59.550 58.200 -0.371 0.000 1.014 222 S CB -0.581 62.532 63.200 -0.146 0.000 0.836 222 S HN 0.503 nan 8.310 nan 0.000 0.466 223 E N 0.694 120.799 120.200 -0.158 0.000 2.152 223 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 223 E C 2.056 178.641 176.600 -0.025 0.000 0.983 223 E CA 1.144 57.505 56.400 -0.065 0.000 0.818 223 E CB -0.272 29.395 29.700 -0.055 0.000 0.758 223 E HN 0.632 nan 8.360 nan 0.000 0.467 224 I N 0.400 120.911 120.570 -0.098 0.000 2.233 224 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 224 I C 2.115 178.315 176.117 0.139 0.000 1.093 224 I CA 1.094 62.383 61.300 -0.017 0.000 1.380 224 I CB -0.285 37.664 38.000 -0.085 0.000 1.067 224 I HN 0.066 nan 8.210 nan 0.000 0.413 225 F N 1.038 120.994 119.950 0.010 0.000 2.069 225 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 225 F C 2.785 178.581 175.800 -0.006 0.000 1.113 225 F CA 0.773 58.767 58.000 -0.010 0.000 1.214 225 F CB -0.573 38.321 39.000 -0.177 0.000 0.978 225 F HN 0.058 nan 8.300 nan 0.000 0.474 226 A N -0.397 122.512 122.820 0.147 0.000 1.908 226 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 226 A C 1.944 179.598 177.584 0.118 0.000 1.181 226 A CA 1.803 53.895 52.037 0.092 0.000 0.627 226 A CB -1.461 17.571 19.000 0.053 0.000 0.818 226 A HN 0.566 nan 8.150 nan 0.000 0.445 227 Y N 1.551 121.871 120.300 0.035 0.000 2.163 227 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 227 Y C 2.960 178.887 175.900 0.045 0.000 1.136 227 Y CA 2.633 60.746 58.100 0.023 0.000 1.147 227 Y CB -0.478 37.978 38.460 -0.007 0.000 0.987 227 Y HN 0.468 nan 8.280 nan 0.000 0.509 228 T N -3.049 111.659 114.554 0.257 0.000 2.737 228 T HA -0.207 4.143 4.350 -0.000 0.000 0.265 228 T C 2.201 176.974 174.700 0.121 0.000 1.038 228 T CA 1.408 63.635 62.100 0.210 0.000 1.144 228 T CB -1.100 67.960 68.868 0.321 0.000 0.866 228 T HN 0.325 nan 8.240 nan 0.000 0.434 229 S N 1.515 117.299 115.700 0.140 0.000 2.374 229 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 229 S C 2.343 176.960 174.600 0.027 0.000 1.037 229 S CA 1.514 59.778 58.200 0.106 0.000 1.024 229 S CB -0.905 62.372 63.200 0.128 0.000 0.861 229 S HN 0.768 nan 8.310 nan 0.000 0.456 230 A N 1.099 123.892 122.820 -0.045 0.000 1.935 230 A HA 0.161 4.481 4.320 -0.000 0.000 0.214 230 A C 1.791 179.284 177.584 -0.152 0.000 1.178 230 A CA 0.940 52.923 52.037 -0.090 0.000 0.640 230 A CB -0.193 18.737 19.000 -0.117 0.000 0.825 230 A HN 0.649 nan 8.150 nan 0.000 0.447 231 N N -1.537 116.992 118.700 -0.286 0.000 2.184 231 N HA 0.261 5.001 4.740 -0.000 0.000 0.206 231 N C -0.420 175.007 175.510 -0.139 0.000 1.151 231 N CA 0.263 53.137 53.050 -0.292 0.000 0.878 231 N CB 0.859 38.943 38.487 -0.673 0.000 1.014 231 N HN 0.372 nan 8.380 nan 0.000 0.512 232 M N 1.051 120.630 119.600 -0.034 0.000 2.151 232 M HA 0.224 4.704 4.480 -0.000 0.000 0.229 232 M C -2.143 174.251 176.300 0.157 0.000 1.029 232 M CA -1.289 54.063 55.300 0.088 0.000 0.765 232 M CB 2.602 35.279 32.600 0.129 0.000 1.969 232 M HN -0.241 nan 8.290 nan 0.000 0.352 233 P HA -0.107 nan 4.420 nan 0.000 0.222 233 P C 0.492 177.863 177.300 0.119 0.000 1.147 233 P CA 1.307 64.469 63.100 0.103 0.000 0.790 233 P CB 0.167 31.905 31.700 0.065 0.000 0.780 234 K N -2.495 117.994 120.400 0.148 0.000 2.367 234 K HA 0.035 4.355 4.320 -0.000 0.000 0.194 234 K C 0.636 177.340 176.600 0.174 0.000 1.027 234 K CA -0.201 56.166 56.287 0.134 0.000 1.075 234 K CB 0.129 32.711 32.500 0.136 0.000 0.845 234 K HN 0.189 nan 8.250 nan 0.000 0.529 235 W N 3.300 124.628 121.300 0.046 0.000 2.322 235 W HA 0.159 4.819 4.660 -0.000 0.000 0.307 235 W C -0.780 175.762 176.519 0.039 0.000 1.220 235 W CA -0.393 56.978 57.345 0.044 0.000 1.210 235 W CB 0.505 30.008 29.460 0.071 0.000 1.223 235 W HN -0.007 nan 8.180 nan 0.000 0.511 236 N N 3.557 121.993 118.700 -0.440 0.000 2.405 236 N HA -0.082 4.658 4.740 -0.000 0.000 0.260 236 N C 1.212 176.633 175.510 -0.149 0.000 1.152 236 N CA 0.385 53.284 53.050 -0.251 0.000 0.948 236 N CB 1.383 39.680 38.487 -0.316 0.000 1.111 236 N HN 0.403 nan 8.380 nan 0.000 0.485 237 S N 2.067 117.845 115.700 0.131 0.000 2.561 237 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 237 S C 0.716 175.447 174.600 0.218 0.000 0.977 237 S CA 0.191 58.578 58.200 0.313 0.000 0.926 237 S CB 0.088 63.556 63.200 0.448 0.000 0.769 237 S HN 0.653 nan 8.310 nan 0.000 0.533 238 I N -0.759 119.843 120.570 0.053 0.000 2.842 238 I HA 0.384 4.554 4.170 -0.000 0.000 0.296 238 I C -1.623 174.388 176.117 -0.177 0.000 1.538 238 I CA -0.387 60.878 61.300 -0.058 0.000 0.994 238 I CB 1.855 39.818 38.000 -0.062 0.000 1.372 238 I HN -0.048 nan 8.210 nan 0.000 0.478 239 S N 7.039 122.620 115.700 -0.199 0.000 2.252 239 S HA 0.537 5.007 4.470 -0.000 0.000 0.187 239 S C -0.495 173.984 174.600 -0.201 0.000 1.587 239 S CA -0.546 57.531 58.200 -0.205 0.000 1.215 239 S CB -0.172 62.936 63.200 -0.153 0.000 1.085 239 S HN 0.398 nan 8.310 nan 0.000 0.466 240 I N 3.846 124.158 120.570 -0.430 0.000 2.680 240 I HA 0.066 4.236 4.170 -0.000 0.000 0.286 240 I C 0.442 176.388 176.117 -0.285 0.000 1.144 240 I CA 0.378 61.422 61.300 -0.427 0.000 1.370 240 I CB 0.216 37.685 38.000 -0.886 0.000 1.420 240 I HN 0.397 nan 8.210 nan 0.000 0.540 241 S N 4.200 119.875 115.700 -0.041 0.000 2.509 241 S HA 0.525 4.995 4.470 -0.000 0.000 0.297 241 S C 0.955 175.574 174.600 0.032 0.000 1.118 241 S CA -0.581 57.627 58.200 0.013 0.000 1.074 241 S CB 1.895 65.268 63.200 0.289 0.000 1.038 241 S HN 0.802 nan 8.310 nan 0.000 0.498 242 G N 0.063 108.817 108.800 -0.076 0.000 2.781 242 G HA2 0.004 3.964 3.960 -0.000 0.000 0.208 242 G HA3 0.004 3.964 3.960 -0.000 0.000 0.208 242 G C 0.912 175.793 174.900 -0.031 0.000 1.099 242 G CA -0.165 45.001 45.100 0.110 0.000 0.776 242 G HN 0.692 nan 8.290 nan 0.000 0.532 243 Y N 2.215 122.187 120.300 -0.545 0.000 2.069 243 Y HA -0.335 4.215 4.550 -0.000 0.000 0.278 243 Y C 2.730 178.321 175.900 -0.515 0.000 1.175 243 Y CA 2.663 60.328 58.100 -0.726 0.000 1.134 243 Y CB -0.368 37.118 38.460 -1.624 0.000 0.965 243 Y HN 0.414 nan 8.280 nan 0.000 0.498 244 H N -0.872 118.068 119.070 -0.216 0.000 2.352 244 H HA -0.200 4.356 4.556 -0.000 0.000 0.299 244 H C 2.225 177.455 175.328 -0.164 0.000 1.097 244 H CA 2.090 58.040 56.048 -0.164 0.000 1.311 244 H CB -0.534 29.212 29.762 -0.027 0.000 1.377 244 H HN 0.390 nan 8.280 nan 0.000 0.504 245 M N 0.225 119.832 119.600 0.012 0.000 2.086 245 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 245 M C 2.503 178.735 176.300 -0.113 0.000 1.067 245 M CA 1.840 57.138 55.300 -0.003 0.000 1.116 245 M CB -0.321 32.321 32.600 0.070 0.000 1.348 245 M HN 0.334 nan 8.290 nan 0.000 0.407 246 Q N 0.639 120.332 119.800 -0.178 0.000 2.050 246 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 246 Q C 1.855 177.667 176.000 -0.314 0.000 0.980 246 Q CA 1.418 57.084 55.803 -0.230 0.000 0.840 246 Q CB 0.067 28.679 28.738 -0.209 0.000 0.898 246 Q HN 0.375 nan 8.270 nan 0.000 0.424 247 E N 0.075 120.037 120.200 -0.396 0.000 2.160 247 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 247 E C 1.630 178.089 176.600 -0.235 0.000 0.991 247 E CA 1.141 57.344 56.400 -0.328 0.000 0.810 247 E CB -0.191 29.263 29.700 -0.409 0.000 0.742 247 E HN 0.491 nan 8.360 nan 0.000 0.466 248 A N -0.309 122.402 122.820 -0.182 0.000 2.208 248 A HA 0.273 4.592 4.320 -0.000 0.000 0.209 248 A C 1.664 179.123 177.584 -0.209 0.000 1.161 248 A CA 1.208 53.164 52.037 -0.133 0.000 0.782 248 A CB 0.071 19.038 19.000 -0.055 0.000 0.816 248 A HN 0.301 nan 8.150 nan 0.000 0.477 249 G N -2.513 106.104 108.800 -0.306 0.000 2.227 249 G HA2 0.219 4.179 3.960 -0.000 0.000 0.168 249 G HA3 0.219 4.179 3.960 -0.000 0.000 0.168 249 G C 0.331 175.077 174.900 -0.257 0.000 1.006 249 G CA -0.035 44.854 45.100 -0.351 0.000 0.684 249 G HN 1.392 nan 8.290 nan 0.000 0.489 250 A N 1.327 124.025 122.820 -0.203 0.000 2.511 250 A HA 0.604 4.924 4.320 -0.000 0.000 0.242 250 A C 1.177 178.645 177.584 -0.193 0.000 1.069 250 A CA 1.200 53.127 52.037 -0.182 0.000 0.763 250 A CB -0.017 18.887 19.000 -0.159 0.000 1.001 250 A HN 1.735 nan 8.150 nan 0.000 0.498 251 T N 0.030 114.470 114.554 -0.190 0.000 2.860 251 T HA 0.432 4.782 4.350 -0.000 0.000 0.299 251 T C 1.410 176.007 174.700 -0.171 0.000 1.045 251 T CA -0.065 61.934 62.100 -0.168 0.000 1.071 251 T CB 1.033 69.811 68.868 -0.150 0.000 0.985 251 T HN 1.237 nan 8.240 nan 0.000 0.537 252 A N 1.739 124.466 122.820 -0.156 0.000 1.940 252 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 252 A C 2.142 179.622 177.584 -0.173 0.000 1.176 252 A CA 1.825 53.760 52.037 -0.171 0.000 0.631 252 A CB -0.948 17.943 19.000 -0.182 0.000 0.814 252 A HN 1.019 nan 8.150 nan 0.000 0.446 253 D N -0.074 120.245 120.400 -0.135 0.000 2.144 253 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 253 D C 1.775 178.020 176.300 -0.092 0.000 0.978 253 D CA 1.063 55.027 54.000 -0.061 0.000 0.833 253 D CB -0.440 40.374 40.800 0.024 0.000 0.961 253 D HN 0.385 nan 8.370 nan 0.000 0.470 254 I N 1.405 121.804 120.570 -0.285 0.000 2.406 254 I HA -0.135 4.035 4.170 -0.000 0.000 0.249 254 I C 2.580 178.433 176.117 -0.441 0.000 1.122 254 I CA 0.709 61.642 61.300 -0.613 0.000 1.431 254 I CB -0.792 36.779 38.000 -0.715 0.000 1.087 254 I HN 0.176 nan 8.210 nan 0.000 0.424 255 E N 1.287 121.362 120.200 -0.208 0.000 2.031 255 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 255 E C 2.347 179.024 176.600 0.129 0.000 0.994 255 E CA 1.448 57.841 56.400 -0.011 0.000 0.800 255 E CB -0.019 29.684 29.700 0.005 0.000 0.752 255 E HN 0.365 nan 8.360 nan 0.000 0.447 256 M N 0.590 120.187 119.600 -0.006 0.000 2.086 256 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 256 M C 2.568 178.991 176.300 0.205 0.000 1.067 256 M CA 1.691 57.018 55.300 0.045 0.000 1.116 256 M CB -0.305 32.207 32.600 -0.147 0.000 1.348 256 M HN 0.208 nan 8.290 nan 0.000 0.407 257 A N -0.042 122.856 122.820 0.130 0.000 1.873 257 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 257 A C 2.029 179.801 177.584 0.313 0.000 1.186 257 A CA 1.327 53.489 52.037 0.209 0.000 0.616 257 A CB -1.263 17.847 19.000 0.183 0.000 0.823 257 A HN 0.556 nan 8.150 nan 0.000 0.442 258 Y N 0.375 120.741 120.300 0.111 0.000 2.128 258 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 258 Y C 3.043 179.032 175.900 0.149 0.000 1.154 258 Y CA 1.131 59.288 58.100 0.094 0.000 1.149 258 Y CB -0.638 37.850 38.460 0.047 0.000 0.976 258 Y HN 0.331 nan 8.280 nan 0.000 0.505 259 T N 0.836 115.615 114.554 0.375 0.000 2.708 259 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 259 T C 1.895 176.826 174.700 0.386 0.000 1.037 259 T CA 1.281 63.583 62.100 0.337 0.000 1.146 259 T CB -0.559 68.531 68.868 0.371 0.000 0.865 259 T HN 0.229 nan 8.240 nan 0.000 0.435 260 L N 0.704 122.198 121.223 0.452 0.000 2.093 260 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 260 L C 3.033 180.188 176.870 0.474 0.000 1.085 260 L CA 1.024 56.175 54.840 0.517 0.000 0.755 260 L CB -0.637 41.719 42.059 0.496 0.000 0.904 260 L HN 0.238 nan 8.230 nan 0.000 0.435 261 A N -0.177 122.841 122.820 0.329 0.000 1.930 261 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 261 A C 1.902 179.583 177.584 0.162 0.000 1.175 261 A CA 1.711 53.883 52.037 0.224 0.000 0.627 261 A CB -0.434 18.663 19.000 0.161 0.000 0.815 261 A HN 0.313 nan 8.150 nan 0.000 0.443 262 D N -0.000 120.473 120.400 0.122 0.000 2.104 262 D HA -0.102 4.537 4.640 -0.000 0.000 0.194 262 D C 2.090 178.380 176.300 -0.017 0.000 0.994 262 D CA 1.581 55.553 54.000 -0.047 0.000 0.830 262 D CB -0.800 40.008 40.800 0.014 0.000 0.959 262 D HN 0.416 nan 8.370 nan 0.000 0.452 263 G N 0.669 109.636 108.800 0.278 0.000 2.440 263 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 263 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 263 G C 1.880 177.117 174.900 0.561 0.000 1.154 263 G CA 0.961 46.344 45.100 0.471 0.000 0.767 263 G HN 0.244 nan 8.290 nan 0.000 0.552 264 V N 1.376 121.577 119.914 0.478 0.000 2.252 264 V HA -0.208 3.911 4.120 -0.000 0.000 0.249 264 V C 2.623 178.842 176.094 0.208 0.000 1.056 264 V CA 2.331 64.834 62.300 0.338 0.000 1.022 264 V CB -0.498 31.516 31.823 0.319 0.000 0.641 264 V HN 0.270 nan 8.190 nan 0.000 0.445 265 D N -1.063 119.382 120.400 0.075 0.000 2.123 265 D HA -0.187 4.452 4.640 -0.000 0.000 0.196 265 D C 2.062 178.392 176.300 0.051 0.000 0.992 265 D CA 1.650 55.635 54.000 -0.025 0.000 0.833 265 D CB -0.379 40.300 40.800 -0.201 0.000 0.954 265 D HN 0.624 nan 8.370 nan 0.000 0.455 266 Y N 0.459 120.898 120.300 0.232 0.000 2.224 266 Y HA -0.113 4.437 4.550 -0.000 0.000 0.289 266 Y C 2.488 178.616 175.900 0.380 0.000 1.146 266 Y CA 0.189 58.502 58.100 0.356 0.000 1.182 266 Y CB -0.122 38.573 38.460 0.391 0.000 0.983 266 Y HN -0.033 nan 8.280 nan 0.000 0.524 267 I N -0.163 120.619 120.570 0.353 0.000 2.202 267 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 267 I C 2.391 178.604 176.117 0.161 0.000 1.091 267 I CA 1.269 62.680 61.300 0.185 0.000 1.368 267 I CB -0.395 37.298 38.000 -0.512 0.000 1.058 267 I HN 0.152 nan 8.210 nan 0.000 0.410 268 R N 0.805 121.380 120.500 0.125 0.000 2.083 268 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 268 R C 2.475 178.870 176.300 0.158 0.000 1.137 268 R CA 1.655 57.865 56.100 0.183 0.000 0.951 268 R CB -0.567 29.845 30.300 0.185 0.000 0.851 268 R HN 0.390 nan 8.270 nan 0.000 0.434 269 A N 0.660 123.591 122.820 0.185 0.000 1.883 269 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 269 A C 2.407 180.059 177.584 0.113 0.000 1.186 269 A CA 1.893 54.024 52.037 0.157 0.000 0.624 269 A CB -1.214 17.920 19.000 0.224 0.000 0.822 269 A HN 0.496 nan 8.150 nan 0.000 0.444 270 G N -0.731 108.130 108.800 0.101 0.000 2.418 270 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 270 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 270 G C 1.448 176.166 174.900 -0.304 0.000 1.158 270 G CA 0.969 45.805 45.100 -0.440 0.000 0.771 270 G HN 0.655 nan 8.290 nan 0.000 0.545 271 E N 0.686 120.874 120.200 -0.020 0.000 2.077 271 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 271 E C 2.876 179.506 176.600 0.051 0.000 0.989 271 E CA 1.234 57.686 56.400 0.086 0.000 0.800 271 E CB -0.147 29.663 29.700 0.183 0.000 0.746 271 E HN 0.561 nan 8.360 nan 0.000 0.452 272 S N 0.719 116.446 115.700 0.045 0.000 2.465 272 S HA -0.117 4.353 4.470 -0.000 0.000 0.241 272 S C 1.904 176.508 174.600 0.007 0.000 1.000 272 S CA 1.207 59.425 58.200 0.031 0.000 0.964 272 S CB -0.344 62.873 63.200 0.029 0.000 0.763 272 S HN 0.197 nan 8.310 nan 0.000 0.512 273 V N -2.910 116.997 119.914 -0.013 0.000 3.342 273 V HA 0.754 4.873 4.120 -0.000 0.000 0.322 273 V C 1.391 177.479 176.094 -0.010 0.000 1.370 273 V CA 0.044 62.333 62.300 -0.018 0.000 1.170 273 V CB -0.849 30.955 31.823 -0.031 0.000 1.101 273 V HN 0.718 nan 8.190 nan 0.000 0.442 274 G N 0.623 109.426 108.800 0.004 0.000 2.213 274 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.236 274 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.236 274 G C -0.056 174.863 174.900 0.032 0.000 0.991 274 G CA 0.091 45.204 45.100 0.021 0.000 0.629 274 G HN 0.542 nan 8.290 nan 0.000 0.517 275 L N 1.513 122.739 121.223 0.005 0.000 2.371 275 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 275 L C 0.953 177.924 176.870 0.169 0.000 1.124 275 L CA -0.744 54.128 54.840 0.053 0.000 0.816 275 L CB 0.846 42.852 42.059 -0.088 0.000 1.129 275 L HN 0.308 nan 8.230 nan 0.000 0.448 276 N N 1.330 120.149 118.700 0.199 0.000 2.483 276 N HA 0.014 4.754 4.740 -0.000 0.000 0.269 276 N C 0.881 176.571 175.510 0.300 0.000 1.209 276 N CA -0.218 52.955 53.050 0.207 0.000 0.969 276 N CB 1.821 40.390 38.487 0.136 0.000 1.173 276 N HN 0.474 nan 8.380 nan 0.000 0.475 277 V N 2.416 122.443 119.914 0.187 0.000 2.324 277 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 277 V C 1.304 177.264 176.094 -0.223 0.000 1.060 277 V CA 2.043 64.279 62.300 -0.106 0.000 1.042 277 V CB -0.461 31.306 31.823 -0.094 0.000 0.650 277 V HN 0.679 nan 8.190 nan 0.000 0.450 278 D N -0.871 119.503 120.400 -0.043 0.000 2.350 278 D HA -0.137 4.503 4.640 -0.000 0.000 0.216 278 D C 2.080 178.390 176.300 0.016 0.000 0.968 278 D CA 0.951 54.937 54.000 -0.023 0.000 0.894 278 D CB -0.030 40.785 40.800 0.025 0.000 0.909 278 D HN 0.631 nan 8.370 nan 0.000 0.520 279 Q N -0.966 118.894 119.800 0.099 0.000 2.424 279 Q HA 0.041 4.381 4.340 -0.000 0.000 0.204 279 Q C 1.207 177.338 176.000 0.218 0.000 0.933 279 Q CA 0.381 56.275 55.803 0.152 0.000 0.929 279 Q CB 0.283 29.133 28.738 0.185 0.000 1.037 279 Q HN 0.479 nan 8.270 nan 0.000 0.511 280 F N -4.834 115.087 119.950 -0.048 0.000 2.835 280 F HA 0.531 5.058 4.527 -0.000 0.000 0.341 280 F C 1.719 177.437 175.800 -0.137 0.000 0.940 280 F CA 0.070 58.002 58.000 -0.113 0.000 1.125 280 F CB -0.307 38.565 39.000 -0.213 0.000 0.974 280 F HN -0.136 nan 8.300 nan 0.000 0.601 281 A N 2.156 124.477 122.820 -0.832 0.000 1.892 281 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 281 A C -0.344 177.137 177.584 -0.172 0.000 1.188 281 A CA 2.076 53.781 52.037 -0.555 0.000 0.631 281 A CB -2.211 16.512 19.000 -0.462 0.000 0.822 281 A HN 0.387 nan 8.150 nan 0.000 0.447 282 P HA -0.083 nan 4.420 nan 0.000 0.228 282 P C 0.823 178.128 177.300 0.008 0.000 1.151 282 P CA 0.824 63.919 63.100 -0.007 0.000 0.770 282 P CB 0.020 31.729 31.700 0.015 0.000 0.786 283 R N -1.006 119.490 120.500 -0.006 0.000 2.468 283 R HA 0.297 4.637 4.340 -0.000 0.000 0.280 283 R C 0.487 176.771 176.300 -0.027 0.000 0.963 283 R CA -0.391 55.714 56.100 0.008 0.000 1.083 283 R CB -0.264 30.073 30.300 0.062 0.000 1.200 283 R HN 0.302 nan 8.270 nan 0.000 0.541 284 L N 1.642 122.830 121.223 -0.058 0.000 2.326 284 L HA 0.237 4.577 4.340 -0.000 0.000 0.278 284 L C 0.652 177.448 176.870 -0.124 0.000 1.092 284 L CA -0.165 54.608 54.840 -0.112 0.000 0.810 284 L CB 1.273 43.283 42.059 -0.082 0.000 1.153 284 L HN 0.038 nan 8.230 nan 0.000 0.439 285 S N 1.980 117.532 115.700 -0.247 0.000 2.632 285 S HA 0.767 5.237 4.470 -0.000 0.000 0.289 285 S C -0.895 173.458 174.600 -0.412 0.000 1.115 285 S CA -0.726 57.360 58.200 -0.190 0.000 0.889 285 S CB 1.936 65.052 63.200 -0.140 0.000 1.116 285 S HN 0.270 nan 8.310 nan 0.000 0.486 286 F N 0.429 120.209 119.950 -0.284 0.000 2.631 286 F HA 0.845 5.372 4.527 -0.000 0.000 0.350 286 F C -0.599 175.040 175.800 -0.268 0.000 1.080 286 F CA -1.103 56.649 58.000 -0.414 0.000 1.026 286 F CB 1.620 40.203 39.000 -0.695 0.000 1.347 286 F HN 0.651 nan 8.300 nan 0.000 0.501 287 F N 1.366 121.056 119.950 -0.433 0.000 3.055 287 F HA 0.338 4.865 4.527 -0.000 0.000 0.358 287 F C -2.169 173.435 175.800 -0.327 0.000 1.262 287 F CA -1.572 56.268 58.000 -0.266 0.000 1.172 287 F CB 0.362 39.311 39.000 -0.086 0.000 1.503 287 F HN 0.435 nan 8.300 nan 0.000 0.621 288 W N 4.121 125.547 121.300 0.210 0.000 2.516 288 W HA 0.697 5.357 4.660 -0.000 0.000 0.343 288 W C 0.603 177.114 176.519 -0.013 0.000 1.094 288 W CA -1.198 56.153 57.345 0.010 0.000 1.250 288 W CB 1.946 31.412 29.460 0.010 0.000 1.308 288 W HN 0.870 nan 8.180 nan 0.000 0.588 289 G N 2.025 110.983 108.800 0.265 0.000 2.425 289 G HA2 0.623 4.582 3.960 -0.000 0.000 0.302 289 G HA3 0.623 4.582 3.960 -0.000 0.000 0.302 289 G C -1.190 173.819 174.900 0.182 0.000 1.159 289 G CA -0.590 44.678 45.100 0.280 0.000 0.865 289 G HN 0.318 nan 8.290 nan 0.000 0.515 290 I N 2.098 122.774 120.570 0.176 0.000 2.493 290 I HA 0.319 4.489 4.170 -0.000 0.000 0.279 290 I C 0.889 177.058 176.117 0.086 0.000 1.045 290 I CA -0.610 60.736 61.300 0.077 0.000 1.106 290 I CB 0.601 38.626 38.000 0.041 0.000 1.216 290 I HN 0.587 nan 8.210 nan 0.000 0.459 291 G N 5.256 114.091 108.800 0.059 0.000 2.543 291 G HA2 0.393 4.353 3.960 -0.000 0.000 0.267 291 G HA3 0.393 4.353 3.960 -0.000 0.000 0.267 291 G C 0.844 175.804 174.900 0.099 0.000 1.406 291 G CA -0.405 44.758 45.100 0.105 0.000 1.048 291 G HN 0.366 nan 8.290 nan 0.000 0.548 292 M N 0.222 119.903 119.600 0.136 0.000 2.476 292 M HA 0.043 4.523 4.480 -0.000 0.000 0.262 292 M C 1.045 177.436 176.300 0.151 0.000 1.079 292 M CA 0.279 55.662 55.300 0.138 0.000 1.104 292 M CB -0.948 31.739 32.600 0.145 0.000 1.409 292 M HN 0.379 nan 8.290 nan 0.000 0.467 293 N N 1.366 120.152 118.700 0.143 0.000 2.739 293 N HA -0.027 4.713 4.740 -0.000 0.000 0.266 293 N C 0.659 176.220 175.510 0.086 0.000 1.168 293 N CA -0.116 53.040 53.050 0.177 0.000 1.055 293 N CB -0.161 38.423 38.487 0.162 0.000 1.393 293 N HN 0.123 nan 8.380 nan 0.000 0.514 294 F N 2.960 122.858 119.950 -0.086 0.000 2.032 294 F HA -0.315 4.212 4.527 -0.000 0.000 0.297 294 F C 1.205 176.738 175.800 -0.446 0.000 1.125 294 F CA 1.943 59.758 58.000 -0.309 0.000 1.202 294 F CB -0.354 38.366 39.000 -0.466 0.000 0.958 294 F HN 0.361 nan 8.300 nan 0.000 0.491 295 F N -0.589 119.309 119.950 -0.086 0.000 2.171 295 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 295 F C 2.377 177.897 175.800 -0.467 0.000 1.090 295 F CA 1.347 59.091 58.000 -0.425 0.000 1.293 295 F CB -0.728 37.969 39.000 -0.506 0.000 1.013 295 F HN 0.111 nan 8.300 nan 0.000 0.486 296 M N 0.319 119.832 119.600 -0.145 0.000 2.159 296 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 296 M C 2.014 178.149 176.300 -0.275 0.000 1.063 296 M CA 1.654 56.833 55.300 -0.202 0.000 1.110 296 M CB -0.389 32.145 32.600 -0.112 0.000 1.374 296 M HN -0.084 nan 8.290 nan 0.000 0.411 297 E N -0.548 119.468 120.200 -0.307 0.000 2.077 297 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 297 E C 2.187 178.546 176.600 -0.401 0.000 0.989 297 E CA 1.545 57.745 56.400 -0.333 0.000 0.800 297 E CB -0.759 28.769 29.700 -0.287 0.000 0.746 297 E HN 0.413 nan 8.360 nan 0.000 0.452 298 V N 1.682 121.275 119.914 -0.537 0.000 2.295 298 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 298 V C 2.464 178.338 176.094 -0.367 0.000 1.049 298 V CA 1.932 63.934 62.300 -0.498 0.000 1.024 298 V CB -0.883 30.526 31.823 -0.691 0.000 0.648 298 V HN 0.253 nan 8.190 nan 0.000 0.447 299 A N -0.452 122.155 122.820 -0.354 0.000 1.930 299 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 299 A C 2.316 179.716 177.584 -0.308 0.000 1.175 299 A CA 2.013 53.878 52.037 -0.287 0.000 0.627 299 A CB -0.503 18.335 19.000 -0.270 0.000 0.815 299 A HN 0.526 nan 8.150 nan 0.000 0.443 300 K N -0.683 119.509 120.400 -0.346 0.000 2.034 300 K HA -0.219 4.101 4.320 -0.000 0.000 0.214 300 K C 1.781 178.070 176.600 -0.517 0.000 1.051 300 K CA 1.908 57.936 56.287 -0.431 0.000 0.931 300 K CB -0.354 31.870 32.500 -0.460 0.000 0.715 300 K HN 0.316 nan 8.250 nan 0.000 0.446 301 L N 0.999 121.937 121.223 -0.475 0.000 2.083 301 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 301 L C 2.440 179.153 176.870 -0.263 0.000 1.083 301 L CA 1.679 56.284 54.840 -0.392 0.000 0.752 301 L CB -0.310 41.606 42.059 -0.238 0.000 0.899 301 L HN 0.181 nan 8.230 nan 0.000 0.433 302 R N -1.226 119.121 120.500 -0.255 0.000 2.075 302 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 302 R C 2.312 178.427 176.300 -0.308 0.000 1.114 302 R CA 1.059 57.012 56.100 -0.245 0.000 0.972 302 R CB -0.635 29.519 30.300 -0.243 0.000 0.869 302 R HN 0.324 nan 8.270 nan 0.000 0.437 303 A N 1.709 124.331 122.820 -0.330 0.000 1.902 303 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 303 A C 2.418 179.859 177.584 -0.238 0.000 1.181 303 A CA 1.641 53.483 52.037 -0.326 0.000 0.623 303 A CB -0.675 18.160 19.000 -0.277 0.000 0.818 303 A HN 0.374 nan 8.150 nan 0.000 0.443 304 A N -0.385 122.281 122.820 -0.256 0.000 1.933 304 A HA -0.157 4.162 4.320 -0.000 0.000 0.218 304 A C 2.235 179.789 177.584 -0.051 0.000 1.175 304 A CA 1.544 53.487 52.037 -0.156 0.000 0.628 304 A CB -0.455 18.349 19.000 -0.327 0.000 0.814 304 A HN 0.537 nan 8.150 nan 0.000 0.444 305 R N -1.275 119.183 120.500 -0.068 0.000 2.096 305 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 305 R C 2.248 178.582 176.300 0.056 0.000 1.127 305 R CA 1.652 57.763 56.100 0.018 0.000 0.968 305 R CB -0.317 29.990 30.300 0.011 0.000 0.861 305 R HN 0.559 nan 8.270 nan 0.000 0.440 306 M N 0.230 119.793 119.600 -0.061 0.000 2.099 306 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 306 M C 2.158 178.447 176.300 -0.018 0.000 1.067 306 M CA 1.591 56.838 55.300 -0.087 0.000 1.124 306 M CB -0.176 32.266 32.600 -0.263 0.000 1.353 306 M HN 0.151 nan 8.290 nan 0.000 0.410 307 L N -1.232 120.002 121.223 0.017 0.000 2.042 307 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 307 L C 2.431 179.469 176.870 0.280 0.000 1.076 307 L CA 1.415 56.341 54.840 0.142 0.000 0.749 307 L CB -0.780 41.411 42.059 0.221 0.000 0.893 307 L HN 0.601 nan 8.230 nan 0.000 0.432 308 W N 0.950 122.282 121.300 0.054 0.000 2.388 308 W HA -0.201 4.459 4.660 -0.000 0.000 0.294 308 W C 2.418 179.011 176.519 0.122 0.000 1.212 308 W CA 1.259 58.650 57.345 0.077 0.000 1.271 308 W CB 0.108 29.523 29.460 -0.075 0.000 1.126 308 W HN 0.185 nan 8.180 nan 0.000 0.535 309 A N 0.891 123.800 122.820 0.147 0.000 1.858 309 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 309 A C 1.986 179.575 177.584 0.008 0.000 1.190 309 A CA 2.129 54.208 52.037 0.070 0.000 0.617 309 A CB -1.136 17.945 19.000 0.135 0.000 0.827 309 A HN 0.312 nan 8.150 nan 0.000 0.443 310 K N -0.430 119.984 120.400 0.023 0.000 2.020 310 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 310 K C 1.937 178.615 176.600 0.129 0.000 1.050 310 K CA 1.920 58.228 56.287 0.036 0.000 0.929 310 K CB -0.413 32.015 32.500 -0.120 0.000 0.714 310 K HN 0.457 nan 8.250 nan 0.000 0.443 311 L N 0.316 121.644 121.223 0.175 0.000 2.046 311 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 311 L C 2.377 179.298 176.870 0.086 0.000 1.077 311 L CA 0.871 55.825 54.840 0.189 0.000 0.747 311 L CB -0.362 41.819 42.059 0.204 0.000 0.896 311 L HN 0.057 nan 8.230 nan 0.000 0.432 312 V N -1.072 118.727 119.914 -0.193 0.000 2.515 312 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 312 V C 2.479 178.646 176.094 0.122 0.000 1.058 312 V CA 1.634 63.835 62.300 -0.165 0.000 1.064 312 V CB -0.751 30.741 31.823 -0.552 0.000 0.675 312 V HN 0.462 nan 8.190 nan 0.000 0.461 313 H N 0.875 119.935 119.070 -0.017 0.000 2.390 313 H HA -0.194 4.362 4.556 -0.000 0.000 0.298 313 H C 2.356 177.688 175.328 0.007 0.000 1.106 313 H CA 2.030 58.081 56.048 0.005 0.000 1.297 313 H CB -0.231 29.527 29.762 -0.008 0.000 1.375 313 H HN 0.506 nan 8.280 nan 0.000 0.509 314 Q N -1.129 118.645 119.800 -0.045 0.000 2.197 314 Q HA -0.187 4.153 4.340 -0.000 0.000 0.207 314 Q C 1.807 177.610 176.000 -0.329 0.000 0.984 314 Q CA 1.666 57.334 55.803 -0.225 0.000 0.869 314 Q CB -0.220 28.355 28.738 -0.272 0.000 0.906 314 Q HN 0.493 nan 8.270 nan 0.000 0.426 315 F N -0.466 119.459 119.950 -0.041 0.000 2.661 315 F HA 0.118 4.645 4.527 -0.000 0.000 0.298 315 F C 1.387 177.174 175.800 -0.020 0.000 1.137 315 F CA 0.577 58.564 58.000 -0.022 0.000 1.454 315 F CB 0.072 39.058 39.000 -0.024 0.000 1.103 315 F HN 0.083 nan 8.300 nan 0.000 0.577 316 G N 1.921 110.766 108.800 0.074 0.000 2.370 316 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.295 316 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.295 316 G C -2.444 172.512 174.900 0.092 0.000 1.045 316 G CA -0.684 44.440 45.100 0.041 0.000 1.199 316 G HN 0.162 nan 8.290 nan 0.000 0.513 317 P HA 0.333 nan 4.420 nan 0.000 0.276 317 P C 0.535 177.892 177.300 0.095 0.000 1.230 317 P CA -0.381 62.777 63.100 0.097 0.000 0.776 317 P CB 1.402 33.154 31.700 0.087 0.000 0.888 318 K N 0.856 121.298 120.400 0.071 0.000 2.323 318 K HA 0.073 4.393 4.320 -0.000 0.000 0.197 318 K C 0.657 177.292 176.600 0.060 0.000 1.043 318 K CA 0.565 56.889 56.287 0.063 0.000 0.997 318 K CB -0.232 32.299 32.500 0.052 0.000 0.807 318 K HN 0.391 nan 8.250 nan 0.000 0.497 319 N N 2.226 120.960 118.700 0.057 0.000 2.425 319 N HA 0.112 4.852 4.740 -0.000 0.000 0.268 319 N C -1.960 173.598 175.510 0.080 0.000 0.991 319 N CA -2.121 50.965 53.050 0.060 0.000 0.931 319 N CB 1.681 40.196 38.487 0.047 0.000 1.130 319 N HN -0.197 nan 8.380 nan 0.000 0.493 320 P HA -0.154 nan 4.420 nan 0.000 0.218 320 P C 0.530 177.979 177.300 0.249 0.000 1.148 320 P CA 1.364 64.569 63.100 0.175 0.000 0.822 320 P CB 0.461 32.264 31.700 0.172 0.000 0.784 321 K N -0.245 120.248 120.400 0.154 0.000 2.280 321 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 321 K C 2.284 178.908 176.600 0.040 0.000 1.047 321 K CA 1.049 57.382 56.287 0.078 0.000 0.942 321 K CB -0.351 32.193 32.500 0.073 0.000 0.739 321 K HN 0.094 nan 8.250 nan 0.000 0.457 322 S N 1.069 116.792 115.700 0.038 0.000 2.399 322 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 322 S C 1.638 176.246 174.600 0.014 0.000 1.022 322 S CA 1.145 59.341 58.200 -0.007 0.000 0.983 322 S CB -0.006 63.168 63.200 -0.043 0.000 0.803 322 S HN 0.293 nan 8.310 nan 0.000 0.480 323 M N 1.552 121.189 119.600 0.062 0.000 2.495 323 M HA 0.109 4.589 4.480 -0.000 0.000 0.237 323 M C 0.316 176.689 176.300 0.120 0.000 1.131 323 M CA -0.104 55.235 55.300 0.065 0.000 1.032 323 M CB 0.038 32.756 32.600 0.196 0.000 1.513 323 M HN 0.150 nan 8.290 nan 0.000 0.488 324 S N 1.173 116.781 115.700 -0.153 0.000 2.489 324 S HA 0.411 4.881 4.470 -0.000 0.000 0.277 324 S C -0.429 174.146 174.600 -0.042 0.000 1.230 324 S CA -0.799 57.035 58.200 -0.610 0.000 1.053 324 S CB 1.214 63.889 63.200 -0.876 0.000 0.955 324 S HN 0.416 nan 8.310 nan 0.000 0.488 325 L N 4.440 125.642 121.223 -0.036 0.000 2.295 325 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 325 L C -0.081 176.717 176.870 -0.120 0.000 1.079 325 L CA -0.521 54.260 54.840 -0.098 0.000 0.830 325 L CB 0.186 42.112 42.059 -0.222 0.000 1.200 325 L HN 0.737 nan 8.230 nan 0.000 0.438 326 R N 3.289 123.768 120.500 -0.034 0.000 2.255 326 R HA 0.450 4.790 4.340 -0.000 0.000 0.326 326 R C -0.544 175.789 176.300 0.056 0.000 0.986 326 R CA -0.393 55.692 56.100 -0.024 0.000 0.847 326 R CB 1.828 32.135 30.300 0.012 0.000 1.111 326 R HN 0.427 nan 8.270 nan 0.000 0.452 327 T N 1.006 115.603 114.554 0.072 0.000 2.906 327 T HA 0.237 4.587 4.350 -0.000 0.000 0.295 327 T C -1.447 173.336 174.700 0.139 0.000 1.061 327 T CA -0.679 61.480 62.100 0.099 0.000 1.000 327 T CB 1.065 70.010 68.868 0.129 0.000 1.103 327 T HN 0.615 nan 8.240 nan 0.000 0.486 328 H N 0.900 119.984 119.070 0.022 0.000 2.496 328 H HA 0.818 5.374 4.556 -0.000 0.000 0.342 328 H C -0.676 174.743 175.328 0.150 0.000 1.170 328 H CA -0.026 56.019 56.048 -0.004 0.000 1.274 328 H CB 1.185 30.799 29.762 -0.247 0.000 1.538 328 H HN 0.500 nan 8.280 nan 0.000 0.542 329 S N 1.586 116.940 115.700 -0.578 0.000 2.556 329 S HA 0.318 4.788 4.470 -0.000 0.000 0.271 329 S C -1.572 172.856 174.600 -0.286 0.000 1.135 329 S CA -0.871 57.258 58.200 -0.119 0.000 0.858 329 S CB 2.024 65.211 63.200 -0.021 0.000 1.114 329 S HN 0.695 nan 8.310 nan 0.000 0.468 330 Q N 1.398 121.253 119.800 0.091 0.000 2.289 330 Q HA 0.500 4.840 4.340 -0.000 0.000 0.270 330 Q C -0.720 175.413 176.000 0.221 0.000 1.038 330 Q CA -0.694 55.169 55.803 0.101 0.000 0.812 330 Q CB 1.535 30.216 28.738 -0.096 0.000 1.300 330 Q HN 0.792 nan 8.270 nan 0.000 0.427 331 T N 0.556 115.227 114.554 0.194 0.000 2.932 331 T HA 0.107 4.457 4.350 -0.000 0.000 0.312 331 T C 0.445 175.348 174.700 0.338 0.000 1.071 331 T CA -0.371 61.848 62.100 0.199 0.000 1.128 331 T CB 1.223 70.168 68.868 0.128 0.000 0.984 331 T HN 0.484 nan 8.240 nan 0.000 0.549 332 S N 1.891 117.766 115.700 0.292 0.000 2.498 332 S HA 0.333 4.803 4.470 -0.000 0.000 0.281 332 S C 1.674 176.443 174.600 0.283 0.000 1.265 332 S CA -0.270 58.114 58.200 0.307 0.000 1.071 332 S CB -0.220 63.113 63.200 0.221 0.000 0.894 332 S HN 0.949 nan 8.310 nan 0.000 0.491 333 G N 4.434 113.440 108.800 0.343 0.000 2.402 333 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 333 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 333 G C 1.037 176.054 174.900 0.195 0.000 1.162 333 G CA 0.601 45.868 45.100 0.277 0.000 0.777 333 G HN 0.896 nan 8.290 nan 0.000 0.539 334 W N 2.643 123.979 121.300 0.060 0.000 2.342 334 W HA -0.214 4.446 4.660 -0.000 0.000 0.297 334 W C 2.883 179.424 176.519 0.037 0.000 1.213 334 W CA 2.624 59.987 57.345 0.031 0.000 1.251 334 W CB -0.153 29.300 29.460 -0.011 0.000 1.136 334 W HN 0.275 nan 8.180 nan 0.000 0.526 335 S N 0.109 115.812 115.700 0.005 0.000 2.474 335 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 335 S C 0.837 175.303 174.600 -0.224 0.000 0.997 335 S CA 0.563 58.643 58.200 -0.201 0.000 0.949 335 S CB -0.853 62.394 63.200 0.079 0.000 0.766 335 S HN 0.175 nan 8.310 nan 0.000 0.517 336 L N 2.742 123.884 121.223 -0.136 0.000 2.350 336 L HA 0.409 4.749 4.340 -0.000 0.000 0.275 336 L C 0.709 177.491 176.870 -0.147 0.000 1.099 336 L CA -0.557 54.224 54.840 -0.098 0.000 0.808 336 L CB 1.047 43.094 42.059 -0.019 0.000 1.149 336 L HN 0.262 nan 8.230 nan 0.000 0.442 337 T N -1.350 113.137 114.554 -0.112 0.000 2.952 337 T HA 0.541 4.891 4.350 -0.000 0.000 0.286 337 T C 0.671 175.335 174.700 -0.059 0.000 1.024 337 T CA -0.275 61.764 62.100 -0.103 0.000 1.029 337 T CB 2.010 70.827 68.868 -0.085 0.000 1.094 337 T HN 0.606 nan 8.240 nan 0.000 0.515 338 A N 0.326 123.119 122.820 -0.044 0.000 2.218 338 A HA 0.293 4.613 4.320 -0.000 0.000 0.209 338 A C 0.659 178.240 177.584 -0.005 0.000 1.168 338 A CA 0.147 52.172 52.037 -0.020 0.000 0.804 338 A CB -0.355 18.643 19.000 -0.003 0.000 0.834 338 A HN 0.751 nan 8.150 nan 0.000 0.482 339 Q N -0.476 119.323 119.800 -0.001 0.000 2.309 339 Q HA 0.464 4.803 4.340 -0.000 0.000 0.264 339 Q C -0.666 175.349 176.000 0.025 0.000 1.008 339 Q CA -0.464 55.350 55.803 0.017 0.000 0.853 339 Q CB 1.284 30.035 28.738 0.021 0.000 1.314 339 Q HN 0.253 nan 8.270 nan 0.000 0.448 340 D N 0.711 121.140 120.400 0.050 0.000 2.803 340 D HA -0.158 4.482 4.640 -0.000 0.000 0.233 340 D C 0.613 176.960 176.300 0.078 0.000 1.182 340 D CA 0.846 54.893 54.000 0.078 0.000 0.726 340 D CB -0.435 40.410 40.800 0.075 0.000 0.987 340 D HN 0.496 nan 8.370 nan 0.000 0.412 341 V N -0.740 119.210 119.914 0.061 0.000 2.568 341 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 341 V C 1.967 178.003 176.094 -0.098 0.000 1.072 341 V CA 1.583 63.860 62.300 -0.038 0.000 1.084 341 V CB -0.985 30.771 31.823 -0.111 0.000 0.676 341 V HN 0.408 nan 8.190 nan 0.000 0.469 342 Y N 1.638 121.961 120.300 0.038 0.000 2.497 342 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 342 Y C 2.505 178.419 175.900 0.025 0.000 1.137 342 Y CA 1.243 59.367 58.100 0.039 0.000 1.285 342 Y CB -0.808 37.681 38.460 0.048 0.000 0.991 342 Y HN 0.324 nan 8.280 nan 0.000 0.556 343 N N 0.246 119.017 118.700 0.118 0.000 2.289 343 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 343 N C 1.229 176.759 175.510 0.034 0.000 1.016 343 N CA 0.936 54.028 53.050 0.070 0.000 0.872 343 N CB -0.377 38.143 38.487 0.055 0.000 0.973 343 N HN 0.421 nan 8.380 nan 0.000 0.433 344 N N 0.618 119.319 118.700 0.003 0.000 2.223 344 N HA -0.075 4.665 4.740 -0.000 0.000 0.185 344 N C 1.802 177.306 175.510 -0.011 0.000 1.016 344 N CA 0.451 53.491 53.050 -0.017 0.000 0.863 344 N CB -0.365 38.093 38.487 -0.049 0.000 0.983 344 N HN 0.075 nan 8.380 nan 0.000 0.429 345 V N 0.753 120.662 119.914 -0.008 0.000 2.343 345 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 345 V C 2.411 178.514 176.094 0.015 0.000 1.051 345 V CA 1.230 63.529 62.300 -0.001 0.000 1.036 345 V CB -0.557 31.282 31.823 0.027 0.000 0.654 345 V HN 0.068 nan 8.190 nan 0.000 0.451 346 V N -0.069 119.862 119.914 0.027 0.000 2.307 346 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 346 V C 2.574 178.689 176.094 0.035 0.000 1.045 346 V CA 1.915 64.232 62.300 0.028 0.000 1.024 346 V CB -0.869 30.974 31.823 0.033 0.000 0.651 346 V HN 0.454 nan 8.190 nan 0.000 0.449 347 R N 0.197 120.717 120.500 0.033 0.000 2.094 347 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 347 R C 2.414 178.745 176.300 0.051 0.000 1.137 347 R CA 2.112 58.237 56.100 0.041 0.000 0.943 347 R CB -0.981 29.336 30.300 0.028 0.000 0.850 347 R HN 0.489 nan 8.270 nan 0.000 0.433 348 T N 0.338 114.917 114.554 0.041 0.000 2.867 348 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 348 T C 1.997 176.729 174.700 0.053 0.000 1.057 348 T CA 1.136 63.264 62.100 0.045 0.000 1.136 348 T CB -0.398 68.485 68.868 0.026 0.000 0.874 348 T HN 0.392 nan 8.240 nan 0.000 0.466 349 C N 1.422 120.755 119.300 0.055 0.000 2.429 349 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 349 C C 2.498 177.548 174.990 0.100 0.000 1.262 349 C CA 0.262 59.330 59.018 0.083 0.000 1.733 349 C CB -1.358 26.424 27.740 0.070 0.000 2.010 349 C HN 0.432 nan 8.230 nan 0.000 0.483 350 I N 0.964 121.586 120.570 0.087 0.000 2.252 350 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 350 I C 2.416 178.636 176.117 0.171 0.000 1.102 350 I CA 1.549 62.915 61.300 0.110 0.000 1.385 350 I CB -1.774 36.266 38.000 0.067 0.000 1.064 350 I HN 0.513 nan 8.210 nan 0.000 0.414 351 E N 1.294 121.564 120.200 0.116 0.000 2.110 351 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 351 E C 2.315 178.941 176.600 0.044 0.000 0.988 351 E CA 1.322 57.774 56.400 0.087 0.000 0.804 351 E CB -0.161 29.589 29.700 0.083 0.000 0.745 351 E HN 0.484 nan 8.360 nan 0.000 0.458 352 A N 0.755 123.594 122.820 0.031 0.000 2.015 352 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 352 A C 2.086 179.635 177.584 -0.058 0.000 1.163 352 A CA 1.056 53.067 52.037 -0.042 0.000 0.646 352 A CB -0.336 18.659 19.000 -0.009 0.000 0.806 352 A HN 0.132 nan 8.150 nan 0.000 0.448 353 M N -0.683 118.966 119.600 0.081 0.000 2.132 353 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 353 M C 2.547 178.961 176.300 0.190 0.000 1.065 353 M CA 1.338 56.748 55.300 0.184 0.000 1.122 353 M CB -0.331 32.445 32.600 0.293 0.000 1.365 353 M HN 0.464 nan 8.290 nan 0.000 0.411 354 A N 0.484 123.358 122.820 0.090 0.000 1.865 354 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 354 A C 2.360 179.780 177.584 -0.274 0.000 1.191 354 A CA 2.134 53.915 52.037 -0.427 0.000 0.623 354 A CB -1.224 17.497 19.000 -0.464 0.000 0.826 354 A HN 0.496 nan 8.150 nan 0.000 0.444 355 A N -0.394 122.326 122.820 -0.167 0.000 1.892 355 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 355 A C 2.474 179.983 177.584 -0.124 0.000 1.188 355 A CA 3.070 55.021 52.037 -0.144 0.000 0.631 355 A CB -1.536 17.367 19.000 -0.162 0.000 0.822 355 A HN 0.854 nan 8.150 nan 0.000 0.447 356 T N -2.752 111.680 114.554 -0.203 0.000 2.942 356 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 356 T C 1.772 176.617 174.700 0.241 0.000 1.062 356 T CA 1.368 63.387 62.100 -0.135 0.000 1.139 356 T CB -0.345 68.105 68.868 -0.695 0.000 0.883 356 T HN 0.587 nan 8.240 nan 0.000 0.468 357 Q N 0.722 120.616 119.800 0.157 0.000 2.435 357 Q HA 0.200 4.540 4.340 -0.000 0.000 0.207 357 Q C 2.343 178.362 176.000 0.031 0.000 0.956 357 Q CA 0.727 56.662 55.803 0.219 0.000 0.917 357 Q CB -0.135 28.855 28.738 0.421 0.000 0.997 357 Q HN 0.718 nan 8.270 nan 0.000 0.497 358 G N -1.198 107.570 108.800 -0.053 0.000 2.880 358 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.209 358 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.209 358 G C -0.328 174.596 174.900 0.038 0.000 1.157 358 G CA -0.210 44.825 45.100 -0.109 0.000 0.779 358 G HN 0.535 nan 8.290 nan 0.000 0.539 359 H N -0.014 119.054 119.070 -0.004 0.000 2.827 359 H HA -0.156 4.400 4.556 -0.000 0.000 0.330 359 H C 0.459 175.831 175.328 0.073 0.000 1.236 359 H CA 0.146 56.181 56.048 -0.021 0.000 1.165 359 H CB -1.547 28.121 29.762 -0.158 0.000 1.532 359 H HN 0.331 nan 8.280 nan 0.000 0.434 360 T N -0.358 114.341 114.554 0.242 0.000 2.860 360 T HA 0.087 4.437 4.350 -0.000 0.000 0.299 360 T C 1.358 176.231 174.700 0.288 0.000 1.045 360 T CA -0.042 62.170 62.100 0.187 0.000 1.071 360 T CB 1.228 70.133 68.868 0.061 0.000 0.985 360 T HN 0.401 nan 8.240 nan 0.000 0.537 361 Q N 1.016 120.964 119.800 0.247 0.000 2.376 361 Q HA 0.259 4.599 4.340 -0.000 0.000 0.206 361 Q C 0.367 176.566 176.000 0.332 0.000 0.921 361 Q CA 0.266 56.260 55.803 0.320 0.000 0.911 361 Q CB 0.520 29.408 28.738 0.250 0.000 1.032 361 Q HN 0.727 nan 8.270 nan 0.000 0.510 362 S N -1.146 114.718 115.700 0.274 0.000 2.570 362 S HA 0.742 5.212 4.470 -0.000 0.000 0.270 362 S C -1.470 173.218 174.600 0.148 0.000 1.149 362 S CA -1.031 57.363 58.200 0.322 0.000 0.837 362 S CB 1.691 65.100 63.200 0.348 0.000 1.124 362 S HN 0.059 nan 8.310 nan 0.000 0.465 363 L N 1.204 122.557 121.223 0.215 0.000 2.472 363 L HA 0.706 5.046 4.340 -0.000 0.000 0.260 363 L C -1.554 175.417 176.870 0.169 0.000 0.963 363 L CA -0.231 54.598 54.840 -0.018 0.000 0.829 363 L CB 2.163 44.160 42.059 -0.104 0.000 1.348 363 L HN 1.113 nan 8.230 nan 0.000 0.408 364 H N 1.204 120.262 119.070 -0.019 0.000 2.469 364 H HA 0.804 5.360 4.556 -0.000 0.000 0.342 364 H C -1.114 174.250 175.328 0.060 0.000 1.115 364 H CA 0.108 56.211 56.048 0.092 0.000 1.204 364 H CB 1.539 31.376 29.762 0.125 0.000 1.492 364 H HN 0.729 nan 8.280 nan 0.000 0.499 365 T N 3.040 117.276 114.554 -0.530 0.000 2.807 365 T HA 0.375 4.725 4.350 -0.000 0.000 0.279 365 T C 0.075 174.530 174.700 -0.408 0.000 0.993 365 T CA -1.256 60.671 62.100 -0.289 0.000 0.970 365 T CB 0.951 69.748 68.868 -0.119 0.000 0.950 365 T HN 0.540 nan 8.240 nan 0.000 0.441 366 N N 1.600 120.255 118.700 -0.075 0.000 2.326 366 N HA 0.325 5.065 4.740 -0.000 0.000 0.239 366 N C -0.067 175.454 175.510 0.018 0.000 1.301 366 N CA -0.269 52.836 53.050 0.090 0.000 0.909 366 N CB 0.600 39.196 38.487 0.182 0.000 1.156 366 N HN 0.620 nan 8.380 nan 0.000 0.462 367 S N 0.143 115.876 115.700 0.056 0.000 2.578 367 S HA 0.245 4.715 4.470 -0.000 0.000 0.301 367 S C 1.564 176.152 174.600 -0.020 0.000 1.091 367 S CA -0.751 57.449 58.200 -0.001 0.000 1.032 367 S CB 1.269 64.480 63.200 0.019 0.000 1.064 367 S HN 0.537 nan 8.310 nan 0.000 0.508 368 L N 0.809 121.980 121.223 -0.086 0.000 2.129 368 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 368 L C 1.055 177.858 176.870 -0.110 0.000 1.087 368 L CA 1.752 56.508 54.840 -0.139 0.000 0.757 368 L CB -0.969 40.910 42.059 -0.301 0.000 0.896 368 L HN 0.578 nan 8.230 nan 0.000 0.434 369 D N -0.912 119.448 120.400 -0.067 0.000 2.336 369 D HA -0.047 4.593 4.640 -0.000 0.000 0.228 369 D C 1.665 177.963 176.300 -0.004 0.000 1.120 369 D CA 0.459 54.436 54.000 -0.038 0.000 0.839 369 D CB -0.077 40.707 40.800 -0.027 0.000 0.932 369 D HN 0.609 nan 8.370 nan 0.000 0.509 370 E N 1.703 121.913 120.200 0.017 0.000 2.086 370 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 370 E C 1.695 178.323 176.600 0.046 0.000 1.012 370 E CA 1.893 58.329 56.400 0.059 0.000 0.812 370 E CB -0.501 29.247 29.700 0.079 0.000 0.743 370 E HN 0.274 nan 8.360 nan 0.000 0.453 371 A N -0.938 121.890 122.820 0.014 0.000 2.259 371 A HA 0.212 4.532 4.320 -0.000 0.000 0.208 371 A C 1.692 179.278 177.584 0.003 0.000 1.201 371 A CA 0.522 52.562 52.037 0.004 0.000 0.824 371 A CB -0.217 18.769 19.000 -0.024 0.000 0.838 371 A HN 0.369 nan 8.150 nan 0.000 0.485 372 I N -2.679 117.894 120.570 0.004 0.000 4.398 372 I HA 0.459 4.629 4.170 -0.000 0.000 0.310 372 I C 0.740 176.861 176.117 0.008 0.000 1.232 372 I CA 0.885 62.185 61.300 0.000 0.000 1.312 372 I CB 0.759 38.749 38.000 -0.017 0.000 1.347 372 I HN 0.231 nan 8.210 nan 0.000 0.454 373 A N 0.138 122.964 122.820 0.010 0.000 2.515 373 A HA 0.598 4.918 4.320 -0.000 0.000 0.292 373 A C -1.467 176.117 177.584 0.000 0.000 1.065 373 A CA -0.694 51.346 52.037 0.005 0.000 0.641 373 A CB 0.349 19.336 19.000 -0.022 0.000 1.306 373 A HN -0.000 nan 8.150 nan 0.000 0.441 374 L N 1.199 122.406 121.223 -0.027 0.000 2.467 374 L HA 0.317 4.657 4.340 -0.000 0.000 0.270 374 L C -1.928 174.881 176.870 -0.103 0.000 1.205 374 L CA -1.444 53.364 54.840 -0.052 0.000 0.828 374 L CB 0.048 42.046 42.059 -0.101 0.000 1.101 374 L HN 0.454 nan 8.230 nan 0.000 0.479 375 P HA 0.068 nan 4.420 nan 0.000 0.269 375 P C -0.393 176.811 177.300 -0.160 0.000 1.209 375 P CA -0.327 62.742 63.100 -0.052 0.000 0.776 375 P CB 0.484 32.224 31.700 0.066 0.000 0.876 376 T N -1.807 112.703 114.554 -0.073 0.000 2.884 376 T HA 0.240 4.590 4.350 -0.000 0.000 0.277 376 T C 0.868 175.585 174.700 0.029 0.000 0.976 376 T CA -0.449 61.604 62.100 -0.078 0.000 0.956 376 T CB 0.501 69.381 68.868 0.020 0.000 1.113 376 T HN 0.180 nan 8.240 nan 0.000 0.554 377 D N -0.497 119.955 120.400 0.087 0.000 2.117 377 D HA -0.029 4.611 4.640 -0.000 0.000 0.198 377 D C 1.518 177.929 176.300 0.185 0.000 0.982 377 D CA 0.937 55.059 54.000 0.202 0.000 0.828 377 D CB -0.346 40.567 40.800 0.189 0.000 0.967 377 D HN 0.528 nan 8.370 nan 0.000 0.464 378 F N 2.079 122.065 119.950 0.060 0.000 2.075 378 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 378 F C 2.554 178.386 175.800 0.053 0.000 1.113 378 F CA 2.109 60.142 58.000 0.056 0.000 1.218 378 F CB -0.562 38.467 39.000 0.048 0.000 0.984 378 F HN -0.037 nan 8.300 nan 0.000 0.472 379 S N 0.726 116.401 115.700 -0.042 0.000 2.382 379 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 379 S C 2.237 176.755 174.600 -0.137 0.000 1.027 379 S CA 0.902 58.992 58.200 -0.182 0.000 0.991 379 S CB -1.240 61.944 63.200 -0.027 0.000 0.823 379 S HN 0.481 nan 8.310 nan 0.000 0.469 380 A N 2.139 124.954 122.820 -0.007 0.000 1.969 380 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 380 A C 2.321 179.906 177.584 0.001 0.000 1.169 380 A CA 1.366 53.444 52.037 0.068 0.000 0.635 380 A CB -0.728 18.435 19.000 0.271 0.000 0.810 380 A HN 0.636 nan 8.150 nan 0.000 0.445 381 R N -0.228 120.246 120.500 -0.043 0.000 2.075 381 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 381 R C 1.880 178.111 176.300 -0.115 0.000 1.126 381 R CA 1.593 57.654 56.100 -0.064 0.000 0.963 381 R CB -0.356 29.922 30.300 -0.038 0.000 0.858 381 R HN 0.515 nan 8.270 nan 0.000 0.435 382 I N 0.884 121.318 120.570 -0.228 0.000 2.179 382 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 382 I C 2.593 178.648 176.117 -0.103 0.000 1.088 382 I CA 1.278 62.459 61.300 -0.197 0.000 1.357 382 I CB -0.398 37.428 38.000 -0.291 0.000 1.051 382 I HN 0.318 nan 8.210 nan 0.000 0.409 383 A N 0.704 123.467 122.820 -0.096 0.000 1.883 383 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 383 A C 2.453 180.015 177.584 -0.037 0.000 1.186 383 A CA 1.924 53.923 52.037 -0.064 0.000 0.624 383 A CB -0.668 18.291 19.000 -0.069 0.000 0.822 383 A HN 0.359 nan 8.150 nan 0.000 0.444 384 R N -0.201 120.283 120.500 -0.026 0.000 2.075 384 R HA -0.099 4.240 4.340 -0.000 0.000 0.232 384 R C 1.855 178.171 176.300 0.028 0.000 1.126 384 R CA 1.650 57.749 56.100 -0.002 0.000 0.963 384 R CB -0.423 29.869 30.300 -0.013 0.000 0.858 384 R HN 0.718 nan 8.270 nan 0.000 0.435 385 N N -0.781 117.930 118.700 0.019 0.000 2.289 385 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 385 N C 1.273 176.852 175.510 0.115 0.000 1.016 385 N CA 1.536 54.617 53.050 0.051 0.000 0.872 385 N CB 0.018 38.518 38.487 0.022 0.000 0.973 385 N HN 0.210 nan 8.380 nan 0.000 0.433 386 T N 1.213 115.828 114.554 0.102 0.000 2.635 386 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 386 T C 1.779 176.638 174.700 0.265 0.000 1.040 386 T CA 1.280 63.482 62.100 0.170 0.000 1.156 386 T CB -0.243 68.679 68.868 0.091 0.000 0.863 386 T HN 0.348 nan 8.240 nan 0.000 0.430 387 Q N 0.275 120.209 119.800 0.223 0.000 2.119 387 Q HA 0.064 4.404 4.340 -0.000 0.000 0.201 387 Q C 2.506 178.643 176.000 0.230 0.000 0.972 387 Q CA 0.916 56.922 55.803 0.338 0.000 0.847 387 Q CB -0.364 28.584 28.738 0.350 0.000 0.903 387 Q HN 0.467 nan 8.270 nan 0.000 0.433 388 L N -0.073 121.221 121.223 0.119 0.000 2.017 388 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 388 L C 2.383 179.305 176.870 0.085 0.000 1.073 388 L CA 1.198 56.062 54.840 0.041 0.000 0.745 388 L CB -0.531 41.547 42.059 0.032 0.000 0.894 388 L HN 0.191 nan 8.230 nan 0.000 0.432 389 F N 0.820 120.795 119.950 0.042 0.000 2.065 389 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 389 F C 2.202 178.056 175.800 0.089 0.000 1.112 389 F CA 1.710 59.741 58.000 0.052 0.000 1.212 389 F CB -0.360 38.670 39.000 0.051 0.000 0.975 389 F HN -0.120 nan 8.300 nan 0.000 0.476 390 L N -0.115 121.062 121.223 -0.077 0.000 2.046 390 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 390 L C 2.564 179.449 176.870 0.024 0.000 1.077 390 L CA 1.622 56.434 54.840 -0.047 0.000 0.747 390 L CB -0.884 41.343 42.059 0.280 0.000 0.896 390 L HN 0.287 nan 8.230 nan 0.000 0.432 391 Q N -0.563 119.225 119.800 -0.020 0.000 2.123 391 Q HA -0.208 4.132 4.340 -0.000 0.000 0.199 391 Q C 2.128 178.026 176.000 -0.170 0.000 0.966 391 Q CA 1.293 56.969 55.803 -0.212 0.000 0.845 391 Q CB 0.012 28.475 28.738 -0.459 0.000 0.907 391 Q HN 0.600 nan 8.270 nan 0.000 0.439 392 Q N -0.244 119.459 119.800 -0.160 0.000 2.259 392 Q HA -0.005 4.335 4.340 -0.000 0.000 0.201 392 Q C 1.280 177.201 176.000 -0.133 0.000 0.938 392 Q CA 0.658 56.386 55.803 -0.125 0.000 0.872 392 Q CB 0.555 29.248 28.738 -0.074 0.000 0.971 392 Q HN 0.295 nan 8.270 nan 0.000 0.494 393 E N -0.318 119.737 120.200 -0.242 0.000 2.399 393 E HA -0.012 4.338 4.350 -0.000 0.000 0.205 393 E C 1.878 178.299 176.600 -0.298 0.000 0.906 393 E CA 0.659 56.917 56.400 -0.238 0.000 0.998 393 E CB 0.469 30.050 29.700 -0.199 0.000 1.002 393 E HN 0.204 nan 8.360 nan 0.000 0.501 394 S N 0.147 115.556 115.700 -0.485 0.000 2.399 394 S HA -0.070 4.399 4.470 -0.000 0.000 0.231 394 S C 1.845 176.389 174.600 -0.092 0.000 1.022 394 S CA 1.079 59.104 58.200 -0.291 0.000 0.983 394 S CB -0.308 62.745 63.200 -0.244 0.000 0.803 394 S HN 0.356 nan 8.310 nan 0.000 0.480 395 G N 0.684 109.448 108.800 -0.059 0.000 2.148 395 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 395 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 395 G C 0.716 175.640 174.900 0.039 0.000 0.981 395 G CA 0.997 46.093 45.100 -0.007 0.000 0.670 395 G HN 1.281 nan 8.290 nan 0.000 0.528 396 T N -2.468 112.135 114.554 0.082 0.000 3.107 396 T HA 0.243 4.593 4.350 -0.000 0.000 0.249 396 T C 2.123 176.986 174.700 0.272 0.000 1.096 396 T CA 1.669 63.864 62.100 0.160 0.000 1.012 396 T CB 0.007 68.984 68.868 0.182 0.000 0.977 396 T HN 0.890 nan 8.240 nan 0.000 0.527 397 T N 0.426 115.121 114.554 0.235 0.000 3.051 397 T HA 0.074 4.424 4.350 -0.000 0.000 0.255 397 T C 2.015 176.864 174.700 0.248 0.000 1.085 397 T CA 0.076 62.377 62.100 0.336 0.000 1.109 397 T CB -0.286 68.695 68.868 0.188 0.000 0.921 397 T HN 0.581 nan 8.240 nan 0.000 0.488 398 R N 1.422 122.011 120.500 0.147 0.000 2.127 398 R HA 0.040 4.380 4.340 -0.000 0.000 0.238 398 R C 0.190 176.554 176.300 0.106 0.000 1.134 398 R CA 0.814 56.978 56.100 0.107 0.000 0.975 398 R CB -0.784 29.553 30.300 0.062 0.000 0.865 398 R HN 0.328 nan 8.270 nan 0.000 0.447 399 V N 2.061 122.041 119.914 0.109 0.000 2.555 399 V HA 0.304 4.424 4.120 -0.000 0.000 0.302 399 V C 0.073 176.244 176.094 0.129 0.000 1.038 399 V CA -1.025 61.324 62.300 0.082 0.000 0.887 399 V CB 1.972 33.810 31.823 0.026 0.000 0.991 399 V HN 0.124 nan 8.190 nan 0.000 0.434 400 I N 3.997 124.632 120.570 0.109 0.000 2.505 400 I HA 0.146 4.316 4.170 -0.000 0.000 0.287 400 I C 0.461 176.621 176.117 0.071 0.000 1.104 400 I CA 0.350 61.748 61.300 0.164 0.000 1.387 400 I CB -0.111 37.944 38.000 0.092 0.000 1.404 400 I HN 0.793 nan 8.210 nan 0.000 0.528 401 D N 8.405 128.836 120.400 0.052 0.000 3.205 401 D HA -0.138 4.502 4.640 -0.000 0.000 0.227 401 D C -1.450 174.809 176.300 -0.068 0.000 1.171 401 D CA -0.021 53.856 54.000 -0.204 0.000 0.929 401 D CB 0.299 41.128 40.800 0.048 0.000 0.900 401 D HN 0.370 nan 8.370 nan 0.000 0.404 402 P HA -0.134 nan 4.420 nan 0.000 0.222 402 P C 1.295 178.464 177.300 -0.218 0.000 1.147 402 P CA 1.163 64.163 63.100 -0.167 0.000 0.790 402 P CB -0.177 31.367 31.700 -0.261 0.000 0.780 403 W N 0.121 121.440 121.300 0.032 0.000 3.139 403 W HA 0.221 4.881 4.660 -0.000 0.000 0.260 403 W C 1.097 177.659 176.519 0.072 0.000 1.312 403 W CA -0.220 57.173 57.345 0.079 0.000 1.606 403 W CB -0.375 29.143 29.460 0.097 0.000 1.118 403 W HN -0.180 nan 8.180 nan 0.000 0.675 404 S N 0.622 116.456 115.700 0.224 0.000 2.784 404 S HA 0.240 4.710 4.470 -0.000 0.000 0.322 404 S C 1.325 176.009 174.600 0.140 0.000 1.234 404 S CA 1.546 59.865 58.200 0.198 0.000 1.064 404 S CB -0.110 63.160 63.200 0.117 0.000 0.787 404 S HN 0.707 nan 8.310 nan 0.000 0.506 405 G N 3.090 111.978 108.800 0.146 0.000 2.284 405 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.230 405 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.230 405 G C 0.386 175.425 174.900 0.232 0.000 1.021 405 G CA 0.384 45.533 45.100 0.081 0.000 0.619 405 G HN 1.643 nan 8.290 nan 0.000 0.510 406 S N 1.204 117.072 115.700 0.280 0.000 2.563 406 S HA 0.482 4.952 4.470 -0.000 0.000 0.294 406 S C 1.870 176.643 174.600 0.288 0.000 1.279 406 S CA 0.771 59.158 58.200 0.312 0.000 1.069 406 S CB 1.086 64.542 63.200 0.426 0.000 0.828 406 S HN 1.798 nan 8.310 nan 0.000 0.497 407 A N 5.142 128.117 122.820 0.258 0.000 1.898 407 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 407 A C 1.871 179.493 177.584 0.064 0.000 1.181 407 A CA 1.519 53.648 52.037 0.154 0.000 0.620 407 A CB -1.215 17.786 19.000 0.001 0.000 0.819 407 A HN 1.072 nan 8.150 nan 0.000 0.442 408 Y N 0.328 120.485 120.300 -0.239 0.000 2.114 408 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 408 Y C 2.379 178.014 175.900 -0.442 0.000 1.143 408 Y CA 1.566 59.195 58.100 -0.785 0.000 1.135 408 Y CB -0.062 38.014 38.460 -0.639 0.000 0.980 408 Y HN 0.122 nan 8.280 nan 0.000 0.499 409 V N 0.913 120.674 119.914 -0.254 0.000 2.332 409 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 409 V C 2.170 178.229 176.094 -0.058 0.000 1.055 409 V CA 2.174 64.337 62.300 -0.229 0.000 1.038 409 V CB -0.581 31.207 31.823 -0.057 0.000 0.651 409 V HN 0.464 nan 8.190 nan 0.000 0.450 410 E N -0.209 120.057 120.200 0.109 0.000 2.106 410 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 410 E C 2.188 178.939 176.600 0.251 0.000 0.984 410 E CA 1.110 57.671 56.400 0.270 0.000 0.806 410 E CB -0.190 29.729 29.700 0.364 0.000 0.750 410 E HN 0.614 nan 8.360 nan 0.000 0.458 411 E N 1.465 121.739 120.200 0.122 0.000 2.038 411 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 411 E C 2.219 178.900 176.600 0.134 0.000 1.000 411 E CA 0.954 57.454 56.400 0.167 0.000 0.803 411 E CB -0.436 29.303 29.700 0.066 0.000 0.750 411 E HN 0.195 nan 8.360 nan 0.000 0.448 412 L N -0.022 121.164 121.223 -0.062 0.000 2.079 412 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 412 L C 2.489 179.320 176.870 -0.065 0.000 1.081 412 L CA 1.764 56.536 54.840 -0.113 0.000 0.752 412 L CB -0.813 41.076 42.059 -0.283 0.000 0.896 412 L HN 0.186 nan 8.230 nan 0.000 0.433 413 T N -1.375 113.163 114.554 -0.028 0.000 2.788 413 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 413 T C 1.445 176.172 174.700 0.045 0.000 1.044 413 T CA 1.402 63.465 62.100 -0.062 0.000 1.139 413 T CB -0.282 68.535 68.868 -0.085 0.000 0.867 413 T HN 0.532 nan 8.240 nan 0.000 0.454 414 W N 1.744 123.063 121.300 0.033 0.000 2.407 414 W HA -0.133 4.527 4.660 -0.000 0.000 0.305 414 W C 1.579 178.121 176.519 0.037 0.000 1.196 414 W CA 0.495 57.928 57.345 0.146 0.000 1.311 414 W CB 0.073 29.710 29.460 0.296 0.000 1.135 414 W HN 0.197 nan 8.180 nan 0.000 0.514 415 D N 1.087 121.510 120.400 0.039 0.000 2.092 415 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 415 D C 2.240 178.453 176.300 -0.146 0.000 0.994 415 D CA 1.776 55.698 54.000 -0.131 0.000 0.828 415 D CB -0.880 39.889 40.800 -0.052 0.000 0.963 415 D HN 0.244 nan 8.370 nan 0.000 0.450 416 L N 0.632 121.789 121.223 -0.110 0.000 2.027 416 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 416 L C 2.569 179.368 176.870 -0.120 0.000 1.074 416 L CA 1.087 55.850 54.840 -0.130 0.000 0.745 416 L CB -0.437 41.523 42.059 -0.165 0.000 0.898 416 L HN -0.028 nan 8.230 nan 0.000 0.433 417 A N 0.227 122.979 122.820 -0.114 0.000 1.908 417 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 417 A C 2.386 179.924 177.584 -0.078 0.000 1.181 417 A CA 1.729 53.711 52.037 -0.090 0.000 0.627 417 A CB -0.489 18.452 19.000 -0.098 0.000 0.818 417 A HN 0.338 nan 8.150 nan 0.000 0.445 418 R N -0.701 119.669 120.500 -0.216 0.000 2.073 418 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 418 R C 2.393 178.609 176.300 -0.141 0.000 1.120 418 R CA 1.462 57.425 56.100 -0.228 0.000 0.967 418 R CB -0.261 29.731 30.300 -0.514 0.000 0.862 418 R HN 0.630 nan 8.270 nan 0.000 0.436 419 K N 0.914 121.203 120.400 -0.185 0.000 2.002 419 K HA -0.115 4.204 4.320 -0.000 0.000 0.209 419 K C 2.095 178.537 176.600 -0.264 0.000 1.048 419 K CA 1.510 57.652 56.287 -0.242 0.000 0.930 419 K CB -0.135 32.257 32.500 -0.180 0.000 0.714 419 K HN 0.137 nan 8.250 nan 0.000 0.438 420 A N 1.319 124.106 122.820 -0.055 0.000 1.902 420 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 420 A C 2.062 179.713 177.584 0.112 0.000 1.181 420 A CA 1.310 53.397 52.037 0.083 0.000 0.623 420 A CB -1.192 17.853 19.000 0.076 0.000 0.818 420 A HN 0.771 nan 8.150 nan 0.000 0.443 421 W N 0.801 122.055 121.300 -0.077 0.000 2.363 421 W HA -0.152 4.507 4.660 -0.000 0.000 0.296 421 W C 2.016 178.497 176.519 -0.063 0.000 1.212 421 W CA 1.528 58.848 57.345 -0.042 0.000 1.260 421 W CB -0.389 29.041 29.460 -0.051 0.000 1.131 421 W HN 0.381 nan 8.180 nan 0.000 0.530 422 G N -0.258 108.481 108.800 -0.101 0.000 2.418 422 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 422 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 422 G C 1.247 176.023 174.900 -0.205 0.000 1.158 422 G CA 1.200 46.175 45.100 -0.208 0.000 0.771 422 G HN 0.305 nan 8.290 nan 0.000 0.545 423 H N 0.431 119.460 119.070 -0.069 0.000 2.387 423 H HA 0.049 4.605 4.556 -0.000 0.000 0.299 423 H C 2.708 178.008 175.328 -0.047 0.000 1.090 423 H CA 0.937 56.964 56.048 -0.036 0.000 1.332 423 H CB -0.283 29.464 29.762 -0.024 0.000 1.386 423 H HN 0.347 nan 8.280 nan 0.000 0.516 424 I N 0.941 121.512 120.570 0.001 0.000 2.286 424 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 424 I C 2.548 178.516 176.117 -0.248 0.000 1.115 424 I CA 1.103 62.340 61.300 -0.105 0.000 1.392 424 I CB -0.207 37.679 38.000 -0.189 0.000 1.065 424 I HN 0.226 nan 8.210 nan 0.000 0.418 425 Q N 0.447 120.016 119.800 -0.385 0.000 2.050 425 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 425 Q C 2.148 178.060 176.000 -0.147 0.000 0.980 425 Q CA 1.593 57.203 55.803 -0.323 0.000 0.840 425 Q CB -0.152 28.385 28.738 -0.334 0.000 0.898 425 Q HN 0.545 nan 8.270 nan 0.000 0.424 426 E N 0.105 120.256 120.200 -0.082 0.000 2.038 426 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 426 E C 2.183 178.773 176.600 -0.016 0.000 1.000 426 E CA 1.485 57.871 56.400 -0.024 0.000 0.803 426 E CB -0.178 29.541 29.700 0.031 0.000 0.750 426 E HN 0.126 nan 8.360 nan 0.000 0.448 427 V N 2.038 121.953 119.914 0.001 0.000 2.282 427 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 427 V C 2.278 178.354 176.094 -0.030 0.000 1.057 427 V CA 1.894 64.191 62.300 -0.006 0.000 1.032 427 V CB -0.431 31.407 31.823 0.026 0.000 0.645 427 V HN 0.226 nan 8.190 nan 0.000 0.447 428 E N -0.128 120.043 120.200 -0.048 0.000 2.153 428 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 428 E C 2.230 178.803 176.600 -0.045 0.000 0.988 428 E CA 0.994 57.364 56.400 -0.050 0.000 0.811 428 E CB -0.243 29.410 29.700 -0.077 0.000 0.746 428 E HN 0.587 nan 8.360 nan 0.000 0.466 429 K N 0.399 120.769 120.400 -0.049 0.000 2.057 429 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 429 K C 1.660 178.242 176.600 -0.030 0.000 1.049 429 K CA 0.723 56.987 56.287 -0.038 0.000 0.931 429 K CB -0.003 32.474 32.500 -0.037 0.000 0.714 429 K HN -0.061 nan 8.250 nan 0.000 0.440 430 V N 0.730 120.627 119.914 -0.029 0.000 3.272 430 V HA 0.149 4.269 4.120 -0.000 0.000 0.361 430 V C 0.489 176.563 176.094 -0.034 0.000 1.288 430 V CA 0.885 63.168 62.300 -0.029 0.000 1.315 430 V CB -0.468 31.339 31.823 -0.028 0.000 1.235 430 V HN 0.648 nan 8.190 nan 0.000 0.465 431 G N -0.061 108.720 108.800 -0.030 0.000 2.176 431 G HA2 0.007 3.966 3.960 -0.000 0.000 0.253 431 G HA3 0.007 3.966 3.960 -0.000 0.000 0.253 431 G C 1.138 176.019 174.900 -0.032 0.000 0.979 431 G CA 0.145 45.227 45.100 -0.030 0.000 0.641 431 G HN 2.077 nan 8.290 nan 0.000 0.530 432 G N -1.861 106.918 108.800 -0.034 0.000 2.712 432 G HA2 0.145 4.105 3.960 -0.000 0.000 0.683 432 G HA3 0.145 4.105 3.960 -0.000 0.000 0.683 432 G C 0.678 175.538 174.900 -0.068 0.000 1.320 432 G CA 0.287 45.367 45.100 -0.035 0.000 0.847 432 G HN 0.745 nan 8.290 nan 0.000 0.553 433 M N 0.454 120.008 119.600 -0.078 0.000 2.086 433 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 433 M C 3.107 179.322 176.300 -0.140 0.000 1.067 433 M CA 2.887 58.111 55.300 -0.126 0.000 1.116 433 M CB -1.981 30.545 32.600 -0.124 0.000 1.348 433 M HN 1.337 nan 8.290 nan 0.000 0.407 434 A N 0.771 123.510 122.820 -0.135 0.000 1.873 434 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 434 A C 2.236 179.733 177.584 -0.145 0.000 1.193 434 A CA 2.234 54.183 52.037 -0.147 0.000 0.629 434 A CB -0.702 18.214 19.000 -0.140 0.000 0.826 434 A HN 0.560 nan 8.150 nan 0.000 0.447 435 K N -0.352 119.979 120.400 -0.115 0.000 2.097 435 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 435 K C 2.296 178.834 176.600 -0.104 0.000 1.049 435 K CA 1.103 57.329 56.287 -0.102 0.000 0.933 435 K CB -0.360 32.095 32.500 -0.075 0.000 0.717 435 K HN 0.446 nan 8.250 nan 0.000 0.442 436 A N 1.795 124.547 122.820 -0.114 0.000 1.898 436 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 436 A C 2.175 179.676 177.584 -0.138 0.000 1.181 436 A CA 1.196 53.159 52.037 -0.123 0.000 0.620 436 A CB -0.595 18.313 19.000 -0.152 0.000 0.819 436 A HN 0.170 nan 8.150 nan 0.000 0.442 437 I N -0.596 119.880 120.570 -0.158 0.000 2.226 437 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 437 I C 2.461 178.510 176.117 -0.113 0.000 1.100 437 I CA 1.720 62.939 61.300 -0.135 0.000 1.374 437 I CB -0.311 37.616 38.000 -0.121 0.000 1.057 437 I HN 0.330 nan 8.210 nan 0.000 0.413 438 E N 1.697 121.816 120.200 -0.135 0.000 2.204 438 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 438 E C 1.783 178.343 176.600 -0.067 0.000 0.990 438 E CA 1.390 57.721 56.400 -0.116 0.000 0.821 438 E CB -0.075 29.542 29.700 -0.138 0.000 0.750 438 E HN 0.377 nan 8.360 nan 0.000 0.477 439 K N -1.294 119.070 120.400 -0.061 0.000 2.459 439 K HA 0.189 4.509 4.320 -0.000 0.000 0.193 439 K C 1.127 177.708 176.600 -0.032 0.000 1.030 439 K CA 0.515 56.776 56.287 -0.043 0.000 1.026 439 K CB 0.214 32.687 32.500 -0.045 0.000 0.809 439 K HN 0.208 nan 8.250 nan 0.000 0.504 440 G N 1.560 110.341 108.800 -0.033 0.000 2.160 440 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.251 440 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.251 440 G C 0.752 175.641 174.900 -0.017 0.000 1.008 440 G CA 0.225 45.315 45.100 -0.017 0.000 0.724 440 G HN 0.164 nan 8.290 nan 0.000 0.514 441 I N 0.857 121.407 120.570 -0.033 0.000 2.163 441 I HA -0.057 4.113 4.170 -0.000 0.000 0.240 441 I C 0.606 176.721 176.117 -0.003 0.000 1.081 441 I CA 1.617 62.907 61.300 -0.018 0.000 1.353 441 I CB -2.168 35.821 38.000 -0.019 0.000 1.054 441 I HN 0.092 nan 8.210 nan 0.000 0.407 442 P HA -0.221 nan 4.420 nan 0.000 0.214 442 P C 1.827 179.178 177.300 0.084 0.000 1.163 442 P CA 1.796 64.855 63.100 -0.068 0.000 0.889 442 P CB -0.140 31.294 31.700 -0.443 0.000 0.790 443 K N -0.601 119.817 120.400 0.030 0.000 2.097 443 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 443 K C 2.031 178.656 176.600 0.041 0.000 1.049 443 K CA 1.647 57.964 56.287 0.049 0.000 0.933 443 K CB -0.439 32.088 32.500 0.044 0.000 0.717 443 K HN 0.053 nan 8.250 nan 0.000 0.442 444 M N -0.028 119.590 119.600 0.030 0.000 2.229 444 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 444 M C 2.321 178.635 176.300 0.023 0.000 1.063 444 M CA 1.385 56.698 55.300 0.022 0.000 1.114 444 M CB -0.184 32.425 32.600 0.015 0.000 1.387 444 M HN 0.107 nan 8.290 nan 0.000 0.420 445 R N 1.345 121.870 120.500 0.042 0.000 2.081 445 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 445 R C 1.740 178.039 176.300 -0.001 0.000 1.131 445 R CA 1.562 57.679 56.100 0.028 0.000 0.960 445 R CB -0.403 29.943 30.300 0.076 0.000 0.856 445 R HN 0.335 nan 8.270 nan 0.000 0.436 446 I N 0.357 120.939 120.570 0.020 0.000 2.315 446 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 446 I C 1.857 177.951 176.117 -0.038 0.000 1.117 446 I CA 1.481 62.768 61.300 -0.022 0.000 1.404 446 I CB -0.274 37.736 38.000 0.018 0.000 1.071 446 I HN 0.326 nan 8.210 nan 0.000 0.419 447 E N 0.711 120.902 120.200 -0.014 0.000 2.106 447 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 447 E C 2.015 178.608 176.600 -0.012 0.000 0.984 447 E CA 0.969 57.359 56.400 -0.016 0.000 0.806 447 E CB -0.016 29.683 29.700 -0.002 0.000 0.750 447 E HN 0.464 nan 8.360 nan 0.000 0.458 448 E N 0.673 120.868 120.200 -0.008 0.000 2.058 448 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 448 E C 2.098 178.685 176.600 -0.022 0.000 0.997 448 E CA 1.109 57.506 56.400 -0.005 0.000 0.801 448 E CB -0.138 29.557 29.700 -0.008 0.000 0.746 448 E HN 0.252 nan 8.360 nan 0.000 0.450 449 A N 1.112 123.901 122.820 -0.051 0.000 1.933 449 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 449 A C 2.321 179.852 177.584 -0.089 0.000 1.175 449 A CA 1.688 53.679 52.037 -0.078 0.000 0.628 449 A CB -0.567 18.364 19.000 -0.114 0.000 0.814 449 A HN 0.310 nan 8.150 nan 0.000 0.444 450 A N -0.283 122.480 122.820 -0.096 0.000 1.930 450 A HA 0.243 4.563 4.320 -0.000 0.000 0.217 450 A C 2.467 180.050 177.584 -0.002 0.000 1.175 450 A CA 1.812 53.785 52.037 -0.106 0.000 0.627 450 A CB -0.867 18.072 19.000 -0.102 0.000 0.815 450 A HN 0.971 nan 8.150 nan 0.000 0.443 451 A N -0.198 122.645 122.820 0.037 0.000 1.898 451 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 451 A C 2.249 179.897 177.584 0.108 0.000 1.181 451 A CA 1.368 53.485 52.037 0.134 0.000 0.620 451 A CB -0.432 18.646 19.000 0.129 0.000 0.819 451 A HN 0.518 nan 8.150 nan 0.000 0.442 452 R N -0.886 119.628 120.500 0.024 0.000 2.073 452 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 452 R C 2.306 178.600 176.300 -0.010 0.000 1.134 452 R CA 1.887 57.977 56.100 -0.017 0.000 0.952 452 R CB -0.758 29.526 30.300 -0.027 0.000 0.850 452 R HN 0.532 nan 8.270 nan 0.000 0.433 453 T N 0.719 115.277 114.554 0.007 0.000 2.708 453 T HA -0.197 4.152 4.350 -0.000 0.000 0.266 453 T C 1.751 176.523 174.700 0.119 0.000 1.037 453 T CA 1.425 63.555 62.100 0.049 0.000 1.146 453 T CB -0.213 68.644 68.868 -0.019 0.000 0.865 453 T HN 0.166 nan 8.240 nan 0.000 0.435 454 Q N 1.239 121.131 119.800 0.152 0.000 2.061 454 Q HA -0.027 4.313 4.340 -0.000 0.000 0.204 454 Q C 2.337 178.441 176.000 0.173 0.000 0.984 454 Q CA 1.915 57.860 55.803 0.237 0.000 0.846 454 Q CB -0.763 28.164 28.738 0.315 0.000 0.902 454 Q HN 0.519 nan 8.270 nan 0.000 0.421 455 A N 0.414 123.203 122.820 -0.052 0.000 1.883 455 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 455 A C 2.088 179.585 177.584 -0.144 0.000 1.186 455 A CA 1.795 53.580 52.037 -0.420 0.000 0.624 455 A CB -0.588 17.994 19.000 -0.698 0.000 0.822 455 A HN 0.432 nan 8.150 nan 0.000 0.444 456 R N -0.601 119.867 120.500 -0.053 0.000 2.103 456 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 456 R C 1.985 178.306 176.300 0.035 0.000 1.142 456 R CA 1.768 57.868 56.100 0.001 0.000 0.960 456 R CB -0.498 29.826 30.300 0.040 0.000 0.858 456 R HN 0.602 nan 8.270 nan 0.000 0.439 457 I N 0.408 121.024 120.570 0.076 0.000 2.333 457 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 457 I C 1.457 177.611 176.117 0.062 0.000 1.106 457 I CA 1.031 62.380 61.300 0.081 0.000 1.411 457 I CB -0.250 37.827 38.000 0.128 0.000 1.082 457 I HN 0.068 nan 8.210 nan 0.000 0.420 458 D N 0.670 121.119 120.400 0.083 0.000 2.117 458 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 458 D C 2.360 178.692 176.300 0.053 0.000 0.987 458 D CA 1.811 55.867 54.000 0.095 0.000 0.829 458 D CB -0.109 40.803 40.800 0.187 0.000 0.961 458 D HN 0.308 nan 8.370 nan 0.000 0.460 459 S N -1.430 114.281 115.700 0.017 0.000 2.489 459 S HA 0.190 4.660 4.470 -0.000 0.000 0.228 459 S C 1.837 176.438 174.600 0.002 0.000 0.995 459 S CA 0.963 59.164 58.200 0.001 0.000 0.934 459 S CB 0.455 63.638 63.200 -0.028 0.000 0.771 459 S HN 0.335 nan 8.310 nan 0.000 0.522 460 G N 0.683 109.485 108.800 0.004 0.000 2.194 460 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.236 460 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.236 460 G C 1.039 175.934 174.900 -0.007 0.000 0.987 460 G CA 0.256 45.351 45.100 -0.007 0.000 0.635 460 G HN 0.451 nan 8.290 nan 0.000 0.520 461 R N -0.295 120.207 120.500 0.003 0.000 2.096 461 R HA 0.126 4.466 4.340 -0.000 0.000 0.235 461 R C 1.502 177.820 176.300 0.030 0.000 1.127 461 R CA 1.852 57.960 56.100 0.013 0.000 0.968 461 R CB -0.439 29.869 30.300 0.014 0.000 0.861 461 R HN 0.793 nan 8.270 nan 0.000 0.440 462 Q N 0.922 120.747 119.800 0.042 0.000 2.372 462 Q HA 0.318 4.658 4.340 -0.000 0.000 0.259 462 Q C -2.748 173.276 176.000 0.040 0.000 0.993 462 Q CA -2.700 53.143 55.803 0.067 0.000 0.854 462 Q CB 1.768 30.570 28.738 0.107 0.000 1.231 462 Q HN 0.090 nan 8.270 nan 0.000 0.462 463 P HA 0.057 nan 4.420 nan 0.000 0.268 463 P C -1.302 175.991 177.300 -0.011 0.000 1.205 463 P CA -0.290 62.798 63.100 -0.020 0.000 0.771 463 P CB 0.592 32.268 31.700 -0.040 0.000 0.858 464 L N 4.650 125.850 121.223 -0.038 0.000 2.573 464 L HA 0.311 4.651 4.340 -0.000 0.000 0.260 464 L C -1.064 175.777 176.870 -0.048 0.000 0.997 464 L CA -0.655 54.159 54.840 -0.042 0.000 0.890 464 L CB 0.484 42.509 42.059 -0.056 0.000 1.179 464 L HN 0.113 nan 8.230 nan 0.000 0.439 465 I N 4.960 125.514 120.570 -0.026 0.000 2.742 465 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 465 I C 1.577 177.706 176.117 0.020 0.000 1.186 465 I CA 1.229 62.533 61.300 0.007 0.000 1.417 465 I CB -0.341 37.697 38.000 0.064 0.000 1.377 465 I HN 0.897 nan 8.210 nan 0.000 0.556 466 G N 4.375 113.197 108.800 0.035 0.000 2.213 466 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.236 466 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.236 466 G C 0.590 175.501 174.900 0.019 0.000 0.991 466 G CA 0.277 45.403 45.100 0.043 0.000 0.629 466 G HN 0.442 nan 8.290 nan 0.000 0.517 467 V N 0.918 120.828 119.914 -0.007 0.000 2.870 467 V HA 0.186 4.306 4.120 -0.000 0.000 0.232 467 V C 1.881 177.967 176.094 -0.013 0.000 1.161 467 V CA 1.785 64.079 62.300 -0.010 0.000 1.204 467 V CB -0.094 31.712 31.823 -0.028 0.000 1.003 467 V HN 0.546 nan 8.190 nan 0.000 0.499 468 N N 0.216 118.896 118.700 -0.033 0.000 2.205 468 N HA 0.132 4.872 4.740 -0.000 0.000 0.201 468 N C -0.044 175.414 175.510 -0.087 0.000 1.128 468 N CA 0.037 53.065 53.050 -0.038 0.000 0.867 468 N CB 0.510 38.982 38.487 -0.025 0.000 0.996 468 N HN 0.553 nan 8.380 nan 0.000 0.503 469 K N 0.078 120.398 120.400 -0.134 0.000 2.589 469 K HA 0.143 4.463 4.320 -0.000 0.000 0.253 469 K C -1.253 175.184 176.600 -0.273 0.000 0.974 469 K CA -0.611 55.494 56.287 -0.304 0.000 0.835 469 K CB 0.642 32.876 32.500 -0.443 0.000 1.272 469 K HN 0.098 nan 8.250 nan 0.000 0.444 470 Y N 1.184 121.492 120.300 0.013 0.000 3.178 470 Y HA -0.294 4.256 4.550 -0.000 0.000 0.200 470 Y C 0.269 176.178 175.900 0.014 0.000 1.427 470 Y CA -0.154 57.953 58.100 0.013 0.000 1.250 470 Y CB -1.192 37.274 38.460 0.011 0.000 1.421 470 Y HN 0.448 nan 8.280 nan 0.000 0.506 471 R N 0.830 121.399 120.500 0.116 0.000 2.679 471 R HA 0.437 4.777 4.340 -0.000 0.000 0.269 471 R C 0.482 176.831 176.300 0.083 0.000 1.076 471 R CA -0.517 55.630 56.100 0.078 0.000 1.160 471 R CB 0.574 30.906 30.300 0.053 0.000 1.054 471 R HN 0.322 nan 8.270 nan 0.000 0.507 472 L N 1.489 122.751 121.223 0.065 0.000 2.421 472 L HA 0.153 4.493 4.340 -0.000 0.000 0.263 472 L C 2.069 178.967 176.870 0.047 0.000 1.122 472 L CA 0.018 54.891 54.840 0.055 0.000 0.804 472 L CB 1.093 43.182 42.059 0.050 0.000 1.150 472 L HN 0.828 nan 8.230 nan 0.000 0.457 473 E N 0.366 120.589 120.200 0.039 0.000 2.028 473 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 473 E C 0.751 177.370 176.600 0.032 0.000 0.988 473 E CA 1.689 58.109 56.400 0.034 0.000 0.799 473 E CB -0.762 nan 29.700 nan 0.000 0.755 473 E HN 0.851 nan 8.360 nan 0.000 0.447 474 H N -0.326 118.762 119.070 0.029 0.000 2.717 474 H HA 0.687 5.243 4.556 -0.000 0.000 0.366 474 H C -1.066 174.280 175.328 0.030 0.000 1.132 474 H CA -0.567 55.498 56.048 0.028 0.000 1.180 474 H CB 1.221 30.996 29.762 0.021 0.000 1.678 474 H HN 0.189 nan 8.280 nan 0.000 0.537 475 E N 3.481 123.699 120.200 0.031 0.000 2.130 475 E HA 0.254 4.604 4.350 -0.000 0.000 0.284 475 E C -2.191 174.422 176.600 0.022 0.000 1.018 475 E CA -1.784 54.635 56.400 0.032 0.000 0.817 475 E CB 1.379 31.098 29.700 0.032 0.000 1.078 475 E HN 0.602 nan 8.360 nan 0.000 0.396 476 P HA 0.138 nan 4.420 nan 0.000 0.269 476 P C -2.375 174.933 177.300 0.013 0.000 1.215 476 P CA -0.925 62.187 63.100 0.020 0.000 0.780 476 P CB -0.469 31.251 31.700 0.033 0.000 0.898 477 P HA 0.140 nan 4.420 nan 0.000 0.266 477 P C -1.012 176.285 177.300 -0.006 0.000 1.195 477 P CA 0.072 63.161 63.100 -0.018 0.000 0.768 477 P CB 0.253 31.938 31.700 -0.025 0.000 0.838 478 L N 2.506 123.717 121.223 -0.020 0.000 2.404 478 L HA 0.381 4.721 4.340 -0.000 0.000 0.272 478 L C -0.752 176.102 176.870 -0.026 0.000 0.980 478 L CA -0.696 54.140 54.840 -0.007 0.000 0.836 478 L CB 1.565 43.624 42.059 -0.001 0.000 1.238 478 L HN 0.180 nan 8.230 nan 0.000 0.408 479 D N 3.387 123.774 120.400 -0.021 0.000 2.371 479 D HA 0.408 5.048 4.640 -0.000 0.000 0.256 479 D C -0.429 175.855 176.300 -0.027 0.000 1.193 479 D CA 0.260 54.241 54.000 -0.031 0.000 0.881 479 D CB 0.829 41.608 40.800 -0.036 0.000 1.143 479 D HN 0.386 nan 8.370 nan 0.000 0.473 480 V N 1.638 121.527 119.914 -0.041 0.000 3.046 480 V HA 0.553 4.673 4.120 -0.000 0.000 0.316 480 V C -0.424 175.627 176.094 -0.072 0.000 1.104 480 V CA -1.391 60.879 62.300 -0.049 0.000 1.006 480 V CB 1.491 33.286 31.823 -0.046 0.000 1.058 480 V HN 0.458 nan 8.190 nan 0.000 0.440 481 L N 2.107 123.266 121.223 -0.107 0.000 2.360 481 L HA 0.524 4.863 4.340 -0.000 0.000 0.276 481 L C 0.001 176.802 176.870 -0.114 0.000 1.121 481 L CA 0.247 54.989 54.840 -0.164 0.000 0.845 481 L CB 0.376 42.253 42.059 -0.303 0.000 1.143 481 L HN 0.979 nan 8.230 nan 0.000 0.452 482 K N 4.606 124.953 120.400 -0.089 0.000 2.358 482 K HA 0.559 4.879 4.320 -0.000 0.000 0.260 482 K C -1.588 174.993 176.600 -0.033 0.000 0.956 482 K CA -0.748 55.510 56.287 -0.049 0.000 0.834 482 K CB 1.441 33.921 32.500 -0.033 0.000 1.102 482 K HN 0.533 nan 8.250 nan 0.000 0.431 483 V N 3.398 123.306 119.914 -0.010 0.000 2.498 483 V HA 0.084 4.204 4.120 -0.000 0.000 0.279 483 V C -0.164 175.936 176.094 0.009 0.000 1.048 483 V CA -0.531 61.786 62.300 0.028 0.000 0.967 483 V CB 1.293 33.152 31.823 0.060 0.000 0.988 483 V HN 0.791 nan 8.190 nan 0.000 0.473 484 D N 3.980 124.388 120.400 0.014 0.000 2.380 484 D HA 0.076 4.716 4.640 -0.000 0.000 0.230 484 D C 1.096 177.396 176.300 -0.000 0.000 1.154 484 D CA 0.110 54.110 54.000 -0.001 0.000 0.859 484 D CB 0.460 41.260 40.800 0.001 0.000 1.045 484 D HN 0.584 nan 8.370 nan 0.000 0.495 485 N N 2.620 121.314 118.700 -0.009 0.000 2.104 485 N HA -0.239 4.501 4.740 -0.000 0.000 0.190 485 N C 1.464 176.971 175.510 -0.006 0.000 1.024 485 N CA 1.591 54.636 53.050 -0.008 0.000 0.853 485 N CB 0.233 38.708 38.487 -0.019 0.000 1.008 485 N HN 0.439 nan 8.380 nan 0.000 0.424 486 S N -0.496 115.199 115.700 -0.009 0.000 2.382 486 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 486 S C 1.992 176.589 174.600 -0.005 0.000 1.027 486 S CA 1.728 59.924 58.200 -0.007 0.000 0.991 486 S CB -0.815 62.380 63.200 -0.007 0.000 0.823 486 S HN 0.289 nan 8.310 nan 0.000 0.469 487 T N 2.284 116.835 114.554 -0.005 0.000 2.777 487 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 487 T C 1.954 176.649 174.700 -0.008 0.000 1.040 487 T CA 1.439 63.535 62.100 -0.006 0.000 1.141 487 T CB -0.537 68.328 68.868 -0.006 0.000 0.868 487 T HN 0.344 nan 8.240 nan 0.000 0.444 488 V N 1.585 121.495 119.914 -0.007 0.000 2.307 488 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 488 V C 2.412 178.504 176.094 -0.004 0.000 1.045 488 V CA 1.145 63.438 62.300 -0.011 0.000 1.024 488 V CB -0.879 30.939 31.823 -0.008 0.000 0.651 488 V HN 0.274 nan 8.190 nan 0.000 0.449 489 L N 1.115 122.337 121.223 -0.000 0.000 1.990 489 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 489 L C 2.530 179.402 176.870 0.003 0.000 1.072 489 L CA 2.536 57.378 54.840 0.003 0.000 0.755 489 L CB -1.093 40.966 42.059 0.000 0.000 0.889 489 L HN 0.254 nan 8.230 nan 0.000 0.432 490 A N -1.090 121.730 122.820 0.000 0.000 1.902 490 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 490 A C 2.136 179.721 177.584 0.002 0.000 1.181 490 A CA 1.894 53.932 52.037 0.001 0.000 0.623 490 A CB -0.633 18.366 19.000 -0.002 0.000 0.818 490 A HN 0.648 nan 8.150 nan 0.000 0.443 491 E N -0.678 119.520 120.200 -0.002 0.000 2.152 491 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 491 E C 2.190 178.795 176.600 0.009 0.000 0.983 491 E CA 0.978 57.376 56.400 -0.003 0.000 0.818 491 E CB -0.110 29.581 29.700 -0.015 0.000 0.758 491 E HN 0.552 nan 8.360 nan 0.000 0.467 492 Q N 0.939 120.746 119.800 0.012 0.000 2.123 492 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 492 Q C 1.914 177.933 176.000 0.031 0.000 0.966 492 Q CA 1.045 56.864 55.803 0.025 0.000 0.845 492 Q CB -0.111 28.640 28.738 0.022 0.000 0.907 492 Q HN 0.235 nan 8.270 nan 0.000 0.439 493 K N 0.836 121.249 120.400 0.022 0.000 2.032 493 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 493 K C 2.158 178.775 176.600 0.028 0.000 1.048 493 K CA 1.318 57.618 56.287 0.022 0.000 0.927 493 K CB -0.264 32.245 32.500 0.014 0.000 0.712 493 K HN 0.142 nan 8.250 nan 0.000 0.441 494 A N 1.858 124.693 122.820 0.025 0.000 1.908 494 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 494 A C 2.009 179.625 177.584 0.053 0.000 1.181 494 A CA 1.730 53.784 52.037 0.029 0.000 0.627 494 A CB -0.396 18.613 19.000 0.015 0.000 0.818 494 A HN 0.207 nan 8.150 nan 0.000 0.445 495 K N -0.758 119.685 120.400 0.073 0.000 2.057 495 K HA -0.032 4.287 4.320 -0.000 0.000 0.207 495 K C 1.883 178.591 176.600 0.181 0.000 1.049 495 K CA 1.328 57.706 56.287 0.152 0.000 0.931 495 K CB -0.307 32.294 32.500 0.168 0.000 0.714 495 K HN 0.499 nan 8.250 nan 0.000 0.440 496 L N 0.258 121.535 121.223 0.091 0.000 2.093 496 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 496 L C 2.249 179.142 176.870 0.040 0.000 1.085 496 L CA 0.676 55.542 54.840 0.042 0.000 0.755 496 L CB -0.273 41.799 42.059 0.021 0.000 0.904 496 L HN 0.003 nan 8.230 nan 0.000 0.435 497 V N -0.154 119.788 119.914 0.048 0.000 2.261 497 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 497 V C 2.640 178.768 176.094 0.056 0.000 1.047 497 V CA 1.675 63.998 62.300 0.039 0.000 1.015 497 V CB -0.520 31.322 31.823 0.031 0.000 0.642 497 V HN 0.406 nan 8.190 nan 0.000 0.446 498 K N -0.264 120.193 120.400 0.094 0.000 2.063 498 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 498 K C 2.195 178.914 176.600 0.198 0.000 1.048 498 K CA 1.839 58.209 56.287 0.137 0.000 0.928 498 K CB -0.477 32.121 32.500 0.162 0.000 0.713 498 K HN 0.363 nan 8.250 nan 0.000 0.442 499 L N 1.502 122.846 121.223 0.201 0.000 2.017 499 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 499 L C 2.499 179.344 176.870 -0.042 0.000 1.073 499 L CA 1.595 56.413 54.840 -0.037 0.000 0.745 499 L CB -0.298 41.560 42.059 -0.335 0.000 0.894 499 L HN 0.084 nan 8.230 nan 0.000 0.432 500 R N -0.690 119.796 120.500 -0.022 0.000 2.081 500 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 500 R C 2.179 178.480 176.300 0.001 0.000 1.131 500 R CA 1.336 57.425 56.100 -0.018 0.000 0.960 500 R CB -0.609 29.683 30.300 -0.012 0.000 0.856 500 R HN 0.545 nan 8.270 nan 0.000 0.436 501 A N 0.890 123.723 122.820 0.021 0.000 1.968 501 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 501 A C 1.687 179.289 177.584 0.030 0.000 1.169 501 A CA 1.131 53.182 52.037 0.024 0.000 0.638 501 A CB -0.100 18.916 19.000 0.028 0.000 0.812 501 A HN 0.303 nan 8.150 nan 0.000 0.446 502 E N -0.414 119.816 120.200 0.050 0.000 2.385 502 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 502 E C 0.831 177.450 176.600 0.033 0.000 1.013 502 E CA -0.139 56.295 56.400 0.056 0.000 0.866 502 E CB 0.097 29.865 29.700 0.113 0.000 0.832 502 E HN 0.732 nan 8.360 nan 0.000 0.500 503 R N 1.060 121.565 120.500 0.007 0.000 2.546 503 R HA 0.229 4.569 4.340 -0.000 0.000 0.266 503 R C -0.190 176.104 176.300 -0.010 0.000 1.086 503 R CA -0.650 55.442 56.100 -0.013 0.000 1.160 503 R CB 0.541 30.814 30.300 -0.046 0.000 1.138 503 R HN -0.260 nan 8.270 nan 0.000 0.567 504 D N 1.333 121.724 120.400 -0.014 0.000 2.347 504 D HA 0.166 4.806 4.640 -0.000 0.000 0.235 504 D C -1.659 174.629 176.300 -0.019 0.000 1.149 504 D CA -2.580 51.412 54.000 -0.014 0.000 0.850 504 D CB 1.631 42.422 40.800 -0.014 0.000 1.061 504 D HN 0.294 nan 8.370 nan 0.000 0.487 505 P HA -0.087 nan 4.420 nan 0.000 0.218 505 P C 1.088 178.376 177.300 -0.020 0.000 1.149 505 P CA 1.362 64.451 63.100 -0.019 0.000 0.817 505 P CB 0.264 31.955 31.700 -0.014 0.000 0.785 506 E N 1.312 121.500 120.200 -0.019 0.000 2.028 506 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 506 E C 1.939 178.523 176.600 -0.025 0.000 0.988 506 E CA 1.581 57.968 56.400 -0.022 0.000 0.799 506 E CB -1.367 28.320 29.700 -0.021 0.000 0.755 506 E HN 0.318 nan 8.360 nan 0.000 0.447 507 K N -0.072 120.313 120.400 -0.025 0.000 2.097 507 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 507 K C 2.345 178.927 176.600 -0.030 0.000 1.049 507 K CA 1.231 57.501 56.287 -0.028 0.000 0.933 507 K CB -0.298 32.187 32.500 -0.025 0.000 0.717 507 K HN 0.251 nan 8.250 nan 0.000 0.442 508 V N 1.721 121.617 119.914 -0.031 0.000 2.233 508 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 508 V C 2.323 178.399 176.094 -0.031 0.000 1.050 508 V CA 1.736 64.015 62.300 -0.034 0.000 1.010 508 V CB -0.431 31.370 31.823 -0.037 0.000 0.637 508 V HN 0.321 nan 8.190 nan 0.000 0.444 509 K N -0.125 120.259 120.400 -0.027 0.000 2.034 509 K HA -0.274 4.046 4.320 -0.000 0.000 0.214 509 K C 2.252 178.836 176.600 -0.026 0.000 1.051 509 K CA 1.914 58.186 56.287 -0.024 0.000 0.931 509 K CB -0.452 32.035 32.500 -0.022 0.000 0.715 509 K HN 0.449 nan 8.250 nan 0.000 0.446 510 A N 0.914 123.715 122.820 -0.031 0.000 1.883 510 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 510 A C 2.317 179.882 177.584 -0.031 0.000 1.186 510 A CA 2.209 54.223 52.037 -0.037 0.000 0.624 510 A CB -0.829 18.145 19.000 -0.044 0.000 0.822 510 A HN 0.495 nan 8.150 nan 0.000 0.444 511 A N -0.452 122.351 122.820 -0.029 0.000 1.902 511 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 511 A C 2.193 179.766 177.584 -0.018 0.000 1.181 511 A CA 1.506 53.529 52.037 -0.023 0.000 0.623 511 A CB -0.575 18.408 19.000 -0.029 0.000 0.818 511 A HN 0.484 nan 8.150 nan 0.000 0.443 512 L N -0.633 120.576 121.223 -0.023 0.000 2.027 512 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 512 L C 2.104 178.968 176.870 -0.011 0.000 1.074 512 L CA 1.478 56.304 54.840 -0.023 0.000 0.745 512 L CB -0.700 41.344 42.059 -0.026 0.000 0.898 512 L HN 0.303 nan 8.230 nan 0.000 0.433 513 D N 0.096 120.493 120.400 -0.004 0.000 2.117 513 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 513 D C 2.091 178.432 176.300 0.069 0.000 0.987 513 D CA 1.108 55.119 54.000 0.018 0.000 0.829 513 D CB -0.011 40.790 40.800 0.001 0.000 0.961 513 D HN 0.154 nan 8.370 nan 0.000 0.460 514 K N 0.426 120.860 120.400 0.056 0.000 2.103 514 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 514 K C 2.144 178.855 176.600 0.186 0.000 1.048 514 K CA 0.814 57.186 56.287 0.142 0.000 0.930 514 K CB -0.132 32.401 32.500 0.056 0.000 0.716 514 K HN 0.084 nan 8.250 nan 0.000 0.444 515 I N 0.305 120.911 120.570 0.060 0.000 2.142 515 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 515 I C 2.082 178.158 176.117 -0.068 0.000 1.078 515 I CA 1.642 62.935 61.300 -0.013 0.000 1.343 515 I CB -0.514 37.453 38.000 -0.054 0.000 1.046 515 I HN 0.253 nan 8.210 nan 0.000 0.405 516 T N -0.174 114.342 114.554 -0.064 0.000 2.652 516 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 516 T C 1.386 176.042 174.700 -0.073 0.000 1.039 516 T CA 1.803 63.833 62.100 -0.117 0.000 1.153 516 T CB -0.679 68.148 68.868 -0.068 0.000 0.863 516 T HN 0.555 nan 8.240 nan 0.000 0.428 517 W N 2.340 123.575 121.300 -0.109 0.000 2.317 517 W HA -0.188 4.472 4.660 -0.000 0.000 0.318 517 W C 2.634 179.102 176.519 -0.085 0.000 1.227 517 W CA 1.634 58.929 57.345 -0.084 0.000 1.269 517 W CB -0.750 28.673 29.460 -0.061 0.000 1.155 517 W HN 0.255 nan 8.180 nan 0.000 0.484 518 A N 0.651 123.279 122.820 -0.320 0.000 1.933 518 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 518 A C 2.116 179.455 177.584 -0.407 0.000 1.175 518 A CA 2.633 54.348 52.037 -0.536 0.000 0.628 518 A CB -1.574 17.315 19.000 -0.186 0.000 0.814 518 A HN 0.528 nan 8.150 nan 0.000 0.444 519 A N -0.449 122.170 122.820 -0.335 0.000 1.883 519 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 519 A C 2.364 179.753 177.584 -0.326 0.000 1.186 519 A CA 1.997 53.791 52.037 -0.404 0.000 0.624 519 A CB -1.350 17.224 19.000 -0.709 0.000 0.822 519 A HN 0.813 nan 8.150 nan 0.000 0.444 520 G N -1.402 107.197 108.800 -0.336 0.000 2.650 520 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.214 520 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.214 520 G C 0.518 175.246 174.900 -0.287 0.000 1.136 520 G CA 0.262 45.211 45.100 -0.251 0.000 0.789 520 G HN 0.472 nan 8.290 nan 0.000 0.536 521 N N 1.291 119.712 118.700 -0.465 0.000 2.844 521 N HA 0.223 4.963 4.740 -0.000 0.000 0.268 521 N C -3.023 172.249 175.510 -0.396 0.000 1.574 521 N CA -0.832 51.934 53.050 -0.472 0.000 0.838 521 N CB 2.014 39.997 38.487 -0.840 0.000 1.177 521 N HN 0.166 nan 8.380 nan 0.000 0.495 522 P HA 0.133 nan 4.420 nan 0.000 0.271 522 P C -0.689 176.542 177.300 -0.117 0.000 1.226 522 P CA 0.220 63.227 63.100 -0.154 0.000 0.765 522 P CB 1.060 32.709 31.700 -0.086 0.000 0.835 523 D N 2.633 122.975 120.400 -0.096 0.000 2.336 523 D HA 0.060 4.700 4.640 -0.000 0.000 0.248 523 D C 0.661 176.945 176.300 -0.026 0.000 1.326 523 D CA -0.354 53.617 54.000 -0.049 0.000 0.973 523 D CB 0.513 41.294 40.800 -0.031 0.000 1.255 523 D HN 0.220 nan 8.370 nan 0.000 0.558 524 D N 2.312 122.700 120.400 -0.019 0.000 2.309 524 D HA -0.177 4.463 4.640 -0.000 0.000 0.212 524 D C 0.793 177.096 176.300 0.005 0.000 0.968 524 D CA 1.068 55.063 54.000 -0.008 0.000 0.882 524 D CB 0.304 41.097 40.800 -0.011 0.000 0.918 524 D HN 0.150 nan 8.370 nan 0.000 0.503 525 K N -0.278 120.127 120.400 0.009 0.000 2.404 525 K HA 0.089 4.409 4.320 -0.000 0.000 0.194 525 K C -0.163 176.452 176.600 0.024 0.000 1.023 525 K CA -0.003 56.294 56.287 0.016 0.000 1.094 525 K CB 0.318 32.828 32.500 0.016 0.000 0.841 525 K HN 0.195 nan 8.250 nan 0.000 0.523 526 D N 1.113 121.530 120.400 0.028 0.000 2.464 526 D HA 0.208 4.848 4.640 -0.000 0.000 0.243 526 D C -1.999 174.331 176.300 0.050 0.000 1.104 526 D CA -2.351 51.675 54.000 0.044 0.000 0.883 526 D CB 1.706 42.542 40.800 0.060 0.000 1.050 526 D HN -0.214 nan 8.370 nan 0.000 0.524 527 P HA -0.091 nan 4.420 nan 0.000 0.216 527 P C 0.732 178.081 177.300 0.082 0.000 1.150 527 P CA 0.751 63.887 63.100 0.061 0.000 0.837 527 P CB 0.356 32.083 31.700 0.045 0.000 0.786 528 D N -1.134 119.315 120.400 0.082 0.000 2.265 528 D HA -0.149 4.491 4.640 -0.000 0.000 0.208 528 D C 1.821 178.197 176.300 0.126 0.000 0.977 528 D CA 0.899 54.955 54.000 0.094 0.000 0.871 528 D CB -0.233 40.620 40.800 0.087 0.000 0.925 528 D HN 0.217 nan 8.370 nan 0.000 0.485 529 R N 0.582 121.160 120.500 0.130 0.000 2.334 529 R HA 0.028 4.368 4.340 -0.000 0.000 0.216 529 R C 0.592 176.918 176.300 0.043 0.000 0.905 529 R CA -0.281 55.891 56.100 0.120 0.000 1.064 529 R CB 0.196 30.531 30.300 0.059 0.000 1.046 529 R HN -0.005 nan 8.270 nan 0.000 0.508 530 N N 1.405 120.138 118.700 0.056 0.000 2.357 530 N HA -0.118 4.622 4.740 -0.000 0.000 0.257 530 N C 0.983 176.491 175.510 -0.002 0.000 1.250 530 N CA 0.218 53.293 53.050 0.041 0.000 0.862 530 N CB 0.745 39.299 38.487 0.112 0.000 1.066 530 N HN 0.199 nan 8.380 nan 0.000 0.468 531 L N 3.337 124.540 121.223 -0.033 0.000 2.083 531 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 531 L C 2.282 179.089 176.870 -0.105 0.000 1.083 531 L CA 0.738 55.542 54.840 -0.060 0.000 0.752 531 L CB -0.354 41.675 42.059 -0.050 0.000 0.899 531 L HN 0.568 nan 8.230 nan 0.000 0.433 532 L N 0.131 121.257 121.223 -0.161 0.000 2.027 532 L HA -0.195 4.145 4.340 -0.000 0.000 0.206 532 L C 2.580 179.218 176.870 -0.386 0.000 1.074 532 L CA 1.804 56.456 54.840 -0.313 0.000 0.745 532 L CB -0.788 40.990 42.059 -0.468 0.000 0.898 532 L HN 0.115 nan 8.230 nan 0.000 0.433 533 K N -0.134 120.076 120.400 -0.316 0.000 2.032 533 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 533 K C 2.072 178.626 176.600 -0.078 0.000 1.048 533 K CA 2.011 58.215 56.287 -0.137 0.000 0.927 533 K CB -0.417 32.146 32.500 0.104 0.000 0.712 533 K HN 0.456 nan 8.250 nan 0.000 0.441 534 L N 0.174 121.366 121.223 -0.050 0.000 2.141 534 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 534 L C 2.781 179.617 176.870 -0.056 0.000 1.094 534 L CA 0.691 55.514 54.840 -0.028 0.000 0.763 534 L CB -0.428 41.634 42.059 0.005 0.000 0.908 534 L HN 0.243 nan 8.230 nan 0.000 0.437 535 C N 0.091 119.337 119.300 -0.090 0.000 2.446 535 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 535 C C 2.757 177.690 174.990 -0.095 0.000 1.275 535 C CA 0.414 59.377 59.018 -0.092 0.000 1.727 535 C CB -0.508 27.167 27.740 -0.109 0.000 2.010 535 C HN 0.415 nan 8.230 nan 0.000 0.486 536 I N 1.014 121.511 120.570 -0.123 0.000 2.163 536 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 536 I C 2.133 178.211 176.117 -0.065 0.000 1.085 536 I CA 1.657 62.893 61.300 -0.107 0.000 1.347 536 I CB -0.490 37.429 38.000 -0.135 0.000 1.044 536 I HN 0.372 nan 8.210 nan 0.000 0.408 537 D N 0.803 121.173 120.400 -0.051 0.000 2.144 537 D HA -0.110 4.529 4.640 -0.000 0.000 0.200 537 D C 2.238 178.515 176.300 -0.038 0.000 0.978 537 D CA 1.477 55.457 54.000 -0.034 0.000 0.833 537 D CB -0.134 40.654 40.800 -0.020 0.000 0.961 537 D HN 0.365 nan 8.370 nan 0.000 0.470 538 A N 1.065 123.859 122.820 -0.044 0.000 1.855 538 A HA -0.009 4.311 4.320 -0.000 0.000 0.215 538 A C 2.415 179.969 177.584 -0.051 0.000 1.191 538 A CA 2.038 54.048 52.037 -0.045 0.000 0.613 538 A CB -1.159 17.813 19.000 -0.047 0.000 0.829 538 A HN 0.287 nan 8.150 nan 0.000 0.442 539 G N -0.649 108.118 108.800 -0.056 0.000 2.442 539 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 539 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 539 G C 1.740 176.610 174.900 -0.050 0.000 1.141 539 G CA 1.110 46.177 45.100 -0.055 0.000 0.763 539 G HN 0.550 nan 8.290 nan 0.000 0.554 540 R N 0.609 121.083 120.500 -0.043 0.000 2.120 540 R HA 0.084 4.424 4.340 -0.000 0.000 0.234 540 R C 2.386 178.666 176.300 -0.033 0.000 1.123 540 R CA 1.146 57.226 56.100 -0.033 0.000 0.975 540 R CB -0.239 30.044 30.300 -0.029 0.000 0.866 540 R HN 0.294 nan 8.270 nan 0.000 0.446 541 A N 0.168 122.964 122.820 -0.040 0.000 2.302 541 A HA 0.166 4.486 4.320 -0.000 0.000 0.219 541 A C 0.652 178.202 177.584 -0.056 0.000 1.243 541 A CA 0.153 52.166 52.037 -0.040 0.000 0.856 541 A CB -0.192 18.785 19.000 -0.038 0.000 0.893 541 A HN 0.536 nan 8.150 nan 0.000 0.491 542 M N -2.280 117.274 119.600 -0.077 0.000 2.732 542 M HA -0.204 4.276 4.480 -0.000 0.000 0.207 542 M C 0.464 176.692 176.300 -0.120 0.000 0.513 542 M CA 0.388 55.613 55.300 -0.125 0.000 0.652 542 M CB -2.260 30.243 32.600 -0.161 0.000 2.410 542 M HN 0.590 nan 8.290 nan 0.000 0.660 543 A N 0.391 123.159 122.820 -0.087 0.000 2.332 543 A HA 0.703 5.023 4.320 -0.000 0.000 0.258 543 A C 0.845 178.380 177.584 -0.081 0.000 1.087 543 A CA 0.366 52.358 52.037 -0.075 0.000 0.802 543 A CB 0.434 19.399 19.000 -0.058 0.000 1.042 543 A HN 0.543 nan 8.150 nan 0.000 0.489 544 T N -1.556 112.957 114.554 -0.069 0.000 2.862 544 T HA 0.392 4.742 4.350 -0.000 0.000 0.276 544 T C 1.144 175.814 174.700 -0.051 0.000 0.974 544 T CA -0.037 62.026 62.100 -0.062 0.000 0.966 544 T CB 0.682 69.521 68.868 -0.049 0.000 1.072 544 T HN 0.362 nan 8.240 nan 0.000 0.538 545 V N 1.447 121.332 119.914 -0.047 0.000 2.295 545 V HA -0.001 4.119 4.120 -0.000 0.000 0.246 545 V C 2.924 178.985 176.094 -0.055 0.000 1.049 545 V CA 2.465 64.731 62.300 -0.057 0.000 1.024 545 V CB -1.570 30.213 31.823 -0.066 0.000 0.648 545 V HN 1.111 nan 8.190 nan 0.000 0.447 546 G N -0.710 108.065 108.800 -0.042 0.000 2.446 546 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 546 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 546 G C 1.469 176.352 174.900 -0.029 0.000 1.168 546 G CA 1.029 46.107 45.100 -0.037 0.000 0.771 546 G HN 0.561 nan 8.290 nan 0.000 0.551 547 E N -0.214 119.971 120.200 -0.024 0.000 2.077 547 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 547 E C 2.660 179.243 176.600 -0.028 0.000 0.989 547 E CA 1.067 57.453 56.400 -0.024 0.000 0.800 547 E CB -0.175 29.507 29.700 -0.030 0.000 0.746 547 E HN 0.435 nan 8.360 nan 0.000 0.452 548 M N 0.108 119.687 119.600 -0.035 0.000 2.175 548 M HA -0.124 4.355 4.480 -0.000 0.000 0.264 548 M C 2.348 178.638 176.300 -0.016 0.000 1.063 548 M CA 1.038 56.316 55.300 -0.036 0.000 1.119 548 M CB -0.006 32.568 32.600 -0.044 0.000 1.377 548 M HN -0.013 nan 8.290 nan 0.000 0.415 549 S N 0.457 116.158 115.700 0.001 0.000 2.383 549 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 549 S C 1.349 176.000 174.600 0.084 0.000 1.026 549 S CA 1.137 59.379 58.200 0.071 0.000 0.981 549 S CB -0.333 62.850 63.200 -0.028 0.000 0.818 549 S HN 0.428 nan 8.310 nan 0.000 0.472 550 D N 1.929 122.339 120.400 0.017 0.000 2.149 550 D HA 0.080 4.720 4.640 -0.000 0.000 0.201 550 D C 2.175 178.472 176.300 -0.004 0.000 0.972 550 D CA 1.058 55.069 54.000 0.020 0.000 0.835 550 D CB -0.535 40.271 40.800 0.009 0.000 0.966 550 D HN 0.360 nan 8.370 nan 0.000 0.476 551 A N 1.004 123.804 122.820 -0.033 0.000 1.917 551 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 551 A C 2.368 179.862 177.584 -0.151 0.000 1.182 551 A CA 1.161 53.154 52.037 -0.073 0.000 0.633 551 A CB -0.869 18.091 19.000 -0.066 0.000 0.819 551 A HN 0.218 nan 8.150 nan 0.000 0.448 552 L N -1.173 119.940 121.223 -0.184 0.000 2.093 552 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 552 L C 2.620 179.243 176.870 -0.413 0.000 1.085 552 L CA 1.569 56.151 54.840 -0.429 0.000 0.755 552 L CB -0.501 41.328 42.059 -0.384 0.000 0.904 552 L HN 0.542 nan 8.230 nan 0.000 0.435 553 E N 0.479 120.675 120.200 -0.008 0.000 2.118 553 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 553 E C 2.024 178.649 176.600 0.042 0.000 0.992 553 E CA 0.959 57.467 56.400 0.181 0.000 0.804 553 E CB 0.229 30.059 29.700 0.217 0.000 0.741 553 E HN 0.329 nan 8.360 nan 0.000 0.458 554 K N -0.006 120.368 120.400 -0.043 0.000 2.103 554 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 554 K C 2.098 178.648 176.600 -0.083 0.000 1.048 554 K CA 1.093 57.350 56.287 -0.049 0.000 0.930 554 K CB -0.231 32.228 32.500 -0.069 0.000 0.716 554 K HN 0.161 nan 8.250 nan 0.000 0.444 555 V N -0.146 119.639 119.914 -0.214 0.000 2.795 555 V HA -0.016 4.104 4.120 -0.000 0.000 0.243 555 V C 1.873 177.954 176.094 -0.023 0.000 1.069 555 V CA 0.917 63.097 62.300 -0.201 0.000 1.089 555 V CB -0.313 31.259 31.823 -0.418 0.000 0.756 555 V HN 0.142 nan 8.190 nan 0.000 0.471 556 F N 0.516 120.433 119.950 -0.055 0.000 2.473 556 F HA 0.462 4.989 4.527 -0.000 0.000 0.294 556 F C 1.591 177.453 175.800 0.104 0.000 1.103 556 F CA 0.477 58.468 58.000 -0.015 0.000 1.442 556 F CB 0.073 38.986 39.000 -0.145 0.000 1.097 556 F HN 0.335 nan 8.300 nan 0.000 0.547 557 G N 1.498 110.486 108.800 0.313 0.000 2.814 557 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.677 557 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.677 557 G C -0.815 174.286 174.900 0.336 0.000 1.429 557 G CA -0.919 44.332 45.100 0.252 0.000 0.868 557 G HN 0.254 nan 8.290 nan 0.000 0.553 558 R N -0.593 120.046 120.500 0.231 0.000 2.532 558 R HA 0.537 4.877 4.340 -0.000 0.000 0.295 558 R C -0.394 176.052 176.300 0.243 0.000 0.968 558 R CA -0.767 55.455 56.100 0.202 0.000 0.916 558 R CB 1.470 31.847 30.300 0.129 0.000 1.124 558 R HN 0.623 nan 8.270 nan 0.000 0.463 559 Y N 0.787 121.173 120.300 0.144 0.000 2.307 559 Y HA 0.254 4.804 4.550 -0.000 0.000 0.324 559 Y C -0.530 175.460 175.900 0.150 0.000 1.238 559 Y CA 0.301 58.464 58.100 0.106 0.000 1.280 559 Y CB 1.607 40.108 38.460 0.069 0.000 1.248 559 Y HN 0.398 nan 8.280 nan 0.000 0.508 560 T N 5.185 119.464 114.554 -0.459 0.000 2.881 560 T HA 0.671 5.021 4.350 -0.000 0.000 0.291 560 T C -0.770 173.511 174.700 -0.697 0.000 0.990 560 T CA -0.530 61.399 62.100 -0.284 0.000 0.976 560 T CB 0.772 69.564 68.868 -0.126 0.000 0.970 560 T HN 0.858 nan 8.240 nan 0.000 0.438 561 A N 2.898 125.522 122.820 -0.328 0.000 2.304 561 A HA 0.603 4.923 4.320 -0.000 0.000 0.271 561 A C 0.177 177.687 177.584 -0.122 0.000 1.091 561 A CA -0.543 51.369 52.037 -0.209 0.000 0.812 561 A CB 0.527 19.627 19.000 0.166 0.000 1.056 561 A HN 0.754 nan 8.150 nan 0.000 0.489 562 Q N 1.140 120.895 119.800 -0.074 0.000 2.257 562 Q HA 0.438 4.778 4.340 -0.000 0.000 0.255 562 Q C -1.070 174.923 176.000 -0.011 0.000 0.920 562 Q CA -0.661 55.113 55.803 -0.048 0.000 0.927 562 Q CB 0.655 29.366 28.738 -0.045 0.000 1.229 562 Q HN 0.609 nan 8.270 nan 0.000 0.433 563 I N 4.118 124.680 120.570 -0.015 0.000 2.395 563 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 563 I C 0.037 176.150 176.117 -0.006 0.000 1.023 563 I CA 0.033 61.328 61.300 -0.008 0.000 1.350 563 I CB 1.013 39.002 38.000 -0.018 0.000 1.409 563 I HN 0.670 nan 8.210 nan 0.000 0.507 564 R N 3.415 123.915 120.500 -0.000 0.000 2.574 564 R HA 0.625 4.965 4.340 -0.000 0.000 0.288 564 R C -0.976 175.325 176.300 0.001 0.000 1.004 564 R CA -0.626 55.474 56.100 0.000 0.000 0.895 564 R CB 2.458 32.759 30.300 0.002 0.000 1.191 564 R HN 0.544 nan 8.270 nan 0.000 0.444 565 T N 3.630 118.185 114.554 0.001 0.000 2.848 565 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 565 T C 0.387 175.091 174.700 0.007 0.000 0.995 565 T CA -0.779 61.321 62.100 0.000 0.000 0.970 565 T CB 1.033 69.898 68.868 -0.005 0.000 0.976 565 T HN 0.522 nan 8.240 nan 0.000 0.441 566 I N 0.910 121.486 120.570 0.010 0.000 3.138 566 I HA 0.715 4.885 4.170 -0.000 0.000 0.288 566 I C 0.179 176.310 176.117 0.023 0.000 1.148 566 I CA -0.407 60.903 61.300 0.017 0.000 1.315 566 I CB 0.663 38.674 38.000 0.020 0.000 1.426 566 I HN 0.662 nan 8.210 nan 0.000 0.615 567 S N 0.402 116.120 115.700 0.030 0.000 2.579 567 S HA 0.663 5.133 4.470 -0.000 0.000 0.272 567 S C 0.264 174.891 174.600 0.046 0.000 1.141 567 S CA -0.321 57.903 58.200 0.039 0.000 0.843 567 S CB 1.155 64.376 63.200 0.035 0.000 1.122 567 S HN 1.821 nan 8.310 nan 0.000 0.468 568 G N -0.050 108.786 108.800 0.060 0.000 2.166 568 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 568 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 568 G C 0.579 175.518 174.900 0.066 0.000 0.986 568 G CA 0.503 45.641 45.100 0.063 0.000 0.683 568 G HN 1.109 nan 8.290 nan 0.000 0.527 569 V N -0.940 119.021 119.914 0.079 0.000 2.426 569 V HA 0.015 4.135 4.120 -0.000 0.000 0.242 569 V C 2.021 178.169 176.094 0.089 0.000 1.036 569 V CA 2.049 64.389 62.300 0.067 0.000 1.044 569 V CB -0.802 31.055 31.823 0.056 0.000 0.688 569 V HN 0.468 nan 8.190 nan 0.000 0.462 570 Y N 2.257 122.567 120.300 0.016 0.000 2.089 570 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 570 Y C 2.965 178.879 175.900 0.023 0.000 1.139 570 Y CA 2.292 60.404 58.100 0.021 0.000 1.123 570 Y CB -0.341 38.136 38.460 0.029 0.000 0.980 570 Y HN 0.348 nan 8.280 nan 0.000 0.493 571 S N 0.102 115.938 115.700 0.226 0.000 2.370 571 S HA -0.317 4.152 4.470 -0.000 0.000 0.226 571 S C 2.109 176.718 174.600 0.015 0.000 1.033 571 S CA 1.653 59.927 58.200 0.122 0.000 1.011 571 S CB -0.746 62.536 63.200 0.136 0.000 0.852 571 S HN 0.590 nan 8.310 nan 0.000 0.457 572 K N 1.193 121.601 120.400 0.014 0.000 2.057 572 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 572 K C 2.275 178.852 176.600 -0.038 0.000 1.049 572 K CA 1.664 57.948 56.287 -0.005 0.000 0.931 572 K CB -0.326 32.178 32.500 0.007 0.000 0.714 572 K HN 0.335 nan 8.250 nan 0.000 0.440 573 E N 0.539 120.696 120.200 -0.071 0.000 2.012 573 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 573 E C -0.262 176.269 176.600 -0.116 0.000 1.007 573 E CA 1.293 57.633 56.400 -0.100 0.000 0.816 573 E CB 0.107 29.729 29.700 -0.129 0.000 0.762 573 E HN 0.108 nan 8.360 nan 0.000 0.451 574 V N 2.024 121.840 119.914 -0.164 0.000 2.304 574 V HA 0.272 4.392 4.120 -0.000 0.000 0.278 574 V C -0.211 175.840 176.094 -0.073 0.000 1.018 574 V CA -0.621 61.617 62.300 -0.104 0.000 0.814 574 V CB 1.287 33.053 31.823 -0.094 0.000 1.021 574 V HN 0.061 nan 8.190 nan 0.000 0.440 575 K N 2.390 122.766 120.400 -0.040 0.000 2.154 575 K HA 0.559 4.879 4.320 -0.000 0.000 0.264 575 K C 1.143 177.737 176.600 -0.011 0.000 1.008 575 K CA 0.731 57.006 56.287 -0.020 0.000 0.937 575 K CB 0.377 32.870 32.500 -0.011 0.000 1.002 575 K HN 0.884 nan 8.250 nan 0.000 0.469 576 N N -0.117 118.582 118.700 -0.001 0.000 2.829 576 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 576 N C 0.021 175.535 175.510 0.005 0.000 1.090 576 N CA 1.301 54.353 53.050 0.003 0.000 0.781 576 N CB -2.183 nan 38.487 nan 0.000 1.124 576 N HN 0.535 nan 8.380 nan 0.000 0.559 577 T N 0.768 115.326 114.554 0.008 0.000 2.907 577 T HA 0.422 4.772 4.350 -0.000 0.000 0.298 577 T C -0.863 173.849 174.700 0.019 0.000 1.017 577 T CA -0.476 61.632 62.100 0.013 0.000 1.118 577 T CB 1.393 70.269 68.868 0.015 0.000 0.948 577 T HN 0.381 nan 8.240 nan 0.000 0.531 578 P HA -0.081 nan 4.420 nan 0.000 0.215 578 P C 1.097 178.411 177.300 0.022 0.000 1.157 578 P CA 1.151 64.261 63.100 0.018 0.000 0.868 578 P CB 0.303 32.013 31.700 0.016 0.000 0.788 579 E N -0.320 119.898 120.200 0.029 0.000 2.051 579 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 579 E C 2.128 178.752 176.600 0.040 0.000 0.991 579 E CA 0.947 57.368 56.400 0.036 0.000 0.799 579 E CB -1.290 28.437 29.700 0.046 0.000 0.748 579 E HN 0.002 nan 8.360 nan 0.000 0.449 580 V N 1.201 121.146 119.914 0.052 0.000 2.343 580 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 580 V C 2.053 178.167 176.094 0.034 0.000 1.051 580 V CA 1.931 64.268 62.300 0.061 0.000 1.036 580 V CB -0.483 31.388 31.823 0.080 0.000 0.654 580 V HN 0.264 nan 8.190 nan 0.000 0.451 581 E N -0.057 120.158 120.200 0.024 0.000 2.017 581 E HA -0.293 4.056 4.350 -0.000 0.000 0.193 581 E C 2.284 178.887 176.600 0.006 0.000 0.997 581 E CA 1.596 58.004 56.400 0.013 0.000 0.804 581 E CB -0.185 29.521 29.700 0.011 0.000 0.757 581 E HN 0.691 nan 8.360 nan 0.000 0.448 582 E N 0.547 120.751 120.200 0.007 0.000 2.065 582 E HA -0.278 4.072 4.350 -0.000 0.000 0.201 582 E C 2.038 178.633 176.600 -0.008 0.000 1.016 582 E CA 1.365 57.766 56.400 0.002 0.000 0.818 582 E CB -0.122 29.583 29.700 0.009 0.000 0.749 582 E HN 0.239 nan 8.360 nan 0.000 0.453 583 A N 1.011 123.826 122.820 -0.008 0.000 1.883 583 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 583 A C 2.181 179.732 177.584 -0.055 0.000 1.186 583 A CA 1.722 53.742 52.037 -0.028 0.000 0.624 583 A CB -0.564 18.426 19.000 -0.018 0.000 0.822 583 A HN 0.204 nan 8.150 nan 0.000 0.444 584 R N -0.717 119.762 120.500 -0.036 0.000 2.083 584 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 584 R C 2.261 178.530 176.300 -0.052 0.000 1.137 584 R CA 1.819 57.892 56.100 -0.045 0.000 0.951 584 R CB -0.354 29.938 30.300 -0.013 0.000 0.851 584 R HN 0.703 nan 8.270 nan 0.000 0.434 585 E N 0.461 120.641 120.200 -0.032 0.000 2.058 585 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 585 E C 2.043 178.623 176.600 -0.032 0.000 0.997 585 E CA 1.209 57.593 56.400 -0.026 0.000 0.801 585 E CB -0.066 29.626 29.700 -0.014 0.000 0.746 585 E HN 0.250 nan 8.360 nan 0.000 0.450 586 L N 0.076 121.276 121.223 -0.039 0.000 2.083 586 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 586 L C 2.381 179.215 176.870 -0.060 0.000 1.083 586 L CA 0.574 55.393 54.840 -0.036 0.000 0.752 586 L CB -0.310 41.731 42.059 -0.031 0.000 0.899 586 L HN 0.076 nan 8.230 nan 0.000 0.433 587 V N -0.390 119.434 119.914 -0.150 0.000 2.358 587 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 587 V C 2.429 178.464 176.094 -0.098 0.000 1.047 587 V CA 1.626 63.770 62.300 -0.260 0.000 1.035 587 V CB -0.330 31.233 31.823 -0.432 0.000 0.658 587 V HN 0.425 nan 8.190 nan 0.000 0.452 588 E N -0.229 119.932 120.200 -0.065 0.000 2.051 588 E HA -0.291 4.059 4.350 -0.000 0.000 0.192 588 E C 2.254 178.850 176.600 -0.006 0.000 0.991 588 E CA 1.577 57.960 56.400 -0.028 0.000 0.799 588 E CB -0.044 29.641 29.700 -0.026 0.000 0.748 588 E HN 0.568 nan 8.360 nan 0.000 0.449 589 E N 0.354 120.550 120.200 -0.006 0.000 2.110 589 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 589 E C 1.683 178.281 176.600 -0.002 0.000 0.988 589 E CA 0.972 57.367 56.400 -0.008 0.000 0.804 589 E CB -0.376 29.317 29.700 -0.011 0.000 0.745 589 E HN 0.257 nan 8.360 nan 0.000 0.458 590 F N 1.281 121.159 119.950 -0.120 0.000 2.095 590 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 590 F C 2.280 178.012 175.800 -0.113 0.000 1.104 590 F CA 2.215 60.132 58.000 -0.139 0.000 1.232 590 F CB -0.281 38.591 39.000 -0.213 0.000 0.987 590 F HN 0.160 nan 8.300 nan 0.000 0.475 591 E N -0.358 119.923 120.200 0.136 0.000 2.058 591 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 591 E C 2.170 178.749 176.600 -0.035 0.000 0.997 591 E CA 1.447 57.888 56.400 0.068 0.000 0.801 591 E CB -0.187 29.552 29.700 0.065 0.000 0.746 591 E HN 0.416 nan 8.360 nan 0.000 0.450 592 Q N 0.169 119.943 119.800 -0.044 0.000 2.030 592 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 592 Q C 2.215 178.158 176.000 -0.095 0.000 0.986 592 Q CA 1.775 57.545 55.803 -0.056 0.000 0.843 592 Q CB -0.637 28.075 28.738 -0.044 0.000 0.904 592 Q HN 0.446 nan 8.270 nan 0.000 0.420 593 A N 0.807 123.536 122.820 -0.151 0.000 1.969 593 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 593 A C 1.725 179.160 177.584 -0.249 0.000 1.169 593 A CA 1.279 53.198 52.037 -0.197 0.000 0.635 593 A CB 0.015 18.867 19.000 -0.248 0.000 0.810 593 A HN 0.201 nan 8.150 nan 0.000 0.445 594 E N -1.977 118.024 120.200 -0.332 0.000 2.490 594 E HA 0.221 4.571 4.350 -0.000 0.000 0.209 594 E C 1.003 177.544 176.600 -0.098 0.000 0.971 594 E CA 0.657 56.895 56.400 -0.270 0.000 0.988 594 E CB 0.237 29.658 29.700 -0.466 0.000 1.029 594 E HN 0.763 nan 8.360 nan 0.000 0.496 595 G N 2.968 111.732 108.800 -0.061 0.000 2.182 595 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.248 595 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.248 595 G C 0.129 175.055 174.900 0.043 0.000 1.042 595 G CA 0.645 45.741 45.100 -0.006 0.000 0.775 595 G HN 0.306 nan 8.290 nan 0.000 0.501 596 R N -2.118 118.436 120.500 0.090 0.000 3.112 596 R HA 0.402 4.742 4.340 -0.000 0.000 0.271 596 R C -0.523 175.944 176.300 0.277 0.000 1.008 596 R CA -1.116 55.079 56.100 0.159 0.000 0.903 596 R CB 0.643 31.052 30.300 0.183 0.000 1.267 596 R HN 0.172 nan 8.270 nan 0.000 0.514 597 R N 1.486 122.107 120.500 0.201 0.000 2.679 597 R HA 0.258 4.598 4.340 -0.000 0.000 0.269 597 R C -2.015 174.355 176.300 0.118 0.000 1.076 597 R CA -1.444 54.732 56.100 0.126 0.000 1.160 597 R CB 0.392 30.712 30.300 0.034 0.000 1.054 597 R HN 0.424 nan 8.270 nan 0.000 0.507 598 P HA 0.042 nan 4.420 nan 0.000 0.271 598 P C -1.016 176.303 177.300 0.031 0.000 1.226 598 P CA 0.142 62.782 63.100 -0.767 0.000 0.765 598 P CB 0.614 31.443 31.700 -1.451 0.000 0.835 599 R N 3.827 124.564 120.500 0.396 0.000 2.445 599 R HA 0.702 5.042 4.340 -0.000 0.000 0.308 599 R C -0.927 175.515 176.300 0.237 0.000 0.961 599 R CA -0.796 55.469 56.100 0.275 0.000 0.862 599 R CB 0.707 31.094 30.300 0.144 0.000 1.144 599 R HN 0.509 nan 8.270 nan 0.000 0.447 600 I N 5.211 125.890 120.570 0.180 0.000 2.582 600 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 600 I C -1.653 174.481 176.117 0.028 0.000 1.066 600 I CA -1.398 59.960 61.300 0.096 0.000 1.053 600 I CB 1.792 39.831 38.000 0.066 0.000 1.241 600 I HN 0.652 nan 8.210 nan 0.000 0.421 601 L N 8.398 129.626 121.223 0.008 0.000 2.257 601 L HA 0.498 4.838 4.340 -0.000 0.000 0.290 601 L C -1.449 175.395 176.870 -0.043 0.000 1.044 601 L CA -0.008 54.824 54.840 -0.013 0.000 0.810 601 L CB 0.921 42.977 42.059 -0.004 0.000 1.193 601 L HN 0.490 nan 8.230 nan 0.000 0.425 602 L N 6.442 127.624 121.223 -0.068 0.000 2.259 602 L HA 0.673 5.013 4.340 -0.000 0.000 0.288 602 L C 0.219 177.049 176.870 -0.066 0.000 1.051 602 L CA -0.387 54.394 54.840 -0.098 0.000 0.824 602 L CB 0.901 42.875 42.059 -0.142 0.000 1.206 602 L HN 0.819 nan 8.230 nan 0.000 0.429 603 A N 4.397 127.187 122.820 -0.051 0.000 2.340 603 A HA 0.790 5.110 4.320 -0.000 0.000 0.331 603 A C -0.609 176.961 177.584 -0.025 0.000 1.140 603 A CA -0.754 51.263 52.037 -0.033 0.000 0.801 603 A CB 1.193 20.183 19.000 -0.016 0.000 1.234 603 A HN 0.459 nan 8.150 nan 0.000 0.469 604 K N 2.648 123.031 120.400 -0.027 0.000 2.449 604 K HA 0.472 4.792 4.320 -0.000 0.000 0.257 604 K C -0.918 175.684 176.600 0.003 0.000 0.989 604 K CA 0.110 56.386 56.287 -0.019 0.000 0.916 604 K CB 1.225 33.687 32.500 -0.063 0.000 1.136 604 K HN 0.806 nan 8.250 nan 0.000 0.439 605 M N 0.683 120.304 119.600 0.034 0.000 2.472 605 M HA 0.498 4.978 4.480 -0.000 0.000 0.331 605 M C 0.823 177.171 176.300 0.080 0.000 1.170 605 M CA -0.345 54.985 55.300 0.050 0.000 1.009 605 M CB 1.748 34.373 32.600 0.042 0.000 1.672 605 M HN 0.794 nan 8.290 nan 0.000 0.453 606 G N 1.521 110.371 108.800 0.083 0.000 2.598 606 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 606 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 606 G C 0.077 175.077 174.900 0.167 0.000 1.302 606 G CA -0.385 44.767 45.100 0.087 0.000 0.903 606 G HN 0.677 nan 8.290 nan 0.000 0.575 607 Q N 0.524 120.417 119.800 0.154 0.000 2.425 607 Q HA 0.082 4.422 4.340 -0.000 0.000 0.204 607 Q C 0.979 177.149 176.000 0.284 0.000 0.933 607 Q CA 0.599 56.536 55.803 0.223 0.000 0.939 607 Q CB -0.092 28.697 28.738 0.086 0.000 1.044 607 Q HN 0.652 nan 8.270 nan 0.000 0.513 608 D N 0.655 121.190 120.400 0.223 0.000 2.581 608 D HA -0.064 4.575 4.640 -0.000 0.000 0.238 608 D C 0.881 177.297 176.300 0.193 0.000 1.145 608 D CA 0.600 54.732 54.000 0.221 0.000 0.866 608 D CB 0.507 41.430 40.800 0.206 0.000 1.151 608 D HN 0.233 nan 8.370 nan 0.000 0.500 609 G N 2.649 111.518 108.800 0.116 0.000 3.233 609 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.234 609 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.234 609 G C 0.166 175.028 174.900 -0.062 0.000 1.137 609 G CA -0.288 44.823 45.100 0.018 0.000 0.763 609 G HN 0.546 nan 8.290 nan 0.000 0.549 610 H N 0.944 120.039 119.070 0.042 0.000 2.848 610 H HA 0.288 4.844 4.556 -0.000 0.000 0.341 610 H C 0.568 175.902 175.328 0.010 0.000 1.060 610 H CA 0.838 56.910 56.048 0.039 0.000 1.444 610 H CB 1.524 31.321 29.762 0.058 0.000 1.446 610 H HN 0.338 nan 8.280 nan 0.000 0.583 611 D N 1.239 121.697 120.400 0.097 0.000 2.516 611 D HA -0.001 4.639 4.640 -0.000 0.000 0.241 611 D C 1.687 178.006 176.300 0.032 0.000 1.246 611 D CA -0.337 53.687 54.000 0.040 0.000 0.808 611 D CB -0.115 40.684 40.800 -0.002 0.000 1.147 611 D HN 0.433 nan 8.370 nan 0.000 0.527 612 R N 1.249 121.783 120.500 0.057 0.000 2.096 612 R HA -0.091 4.249 4.340 -0.000 0.000 0.240 612 R C 2.083 178.398 176.300 0.024 0.000 1.139 612 R CA 2.277 58.398 56.100 0.035 0.000 0.952 612 R CB -0.705 29.623 30.300 0.046 0.000 0.854 612 R HN 0.219 nan 8.270 nan 0.000 0.436 613 G N 0.132 108.953 108.800 0.035 0.000 2.414 613 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.215 613 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.215 613 G C 1.310 176.173 174.900 -0.060 0.000 1.188 613 G CA 0.646 45.745 45.100 -0.002 0.000 0.783 613 G HN 0.462 nan 8.290 nan 0.000 0.537 614 Q N 0.020 119.788 119.800 -0.053 0.000 2.061 614 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 614 Q C 2.405 178.342 176.000 -0.105 0.000 0.984 614 Q CA 1.428 57.176 55.803 -0.092 0.000 0.846 614 Q CB -0.081 28.619 28.738 -0.063 0.000 0.902 614 Q HN 0.210 nan 8.270 nan 0.000 0.421 615 K N 0.014 120.375 120.400 -0.066 0.000 2.097 615 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 615 K C 2.036 178.594 176.600 -0.070 0.000 1.050 615 K CA 0.773 57.024 56.287 -0.059 0.000 0.938 615 K CB -0.711 31.772 32.500 -0.029 0.000 0.718 615 K HN 0.164 nan 8.250 nan 0.000 0.442 616 V N 1.696 121.569 119.914 -0.067 0.000 2.453 616 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 616 V C 2.096 178.088 176.094 -0.169 0.000 1.048 616 V CA 0.963 63.221 62.300 -0.071 0.000 1.049 616 V CB -0.189 31.628 31.823 -0.010 0.000 0.672 616 V HN 0.094 nan 8.190 nan 0.000 0.457 617 I N 0.776 121.207 120.570 -0.232 0.000 2.163 617 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 617 I C 2.804 178.706 176.117 -0.357 0.000 1.085 617 I CA 1.982 63.038 61.300 -0.407 0.000 1.347 617 I CB -1.877 35.793 38.000 -0.549 0.000 1.044 617 I HN 0.377 nan 8.210 nan 0.000 0.408 618 A N 0.129 122.803 122.820 -0.242 0.000 1.859 618 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 618 A C 2.549 180.089 177.584 -0.073 0.000 1.198 618 A CA 2.954 54.903 52.037 -0.148 0.000 0.629 618 A CB -1.332 17.609 19.000 -0.098 0.000 0.830 618 A HN 0.420 nan 8.150 nan 0.000 0.446 619 T N -0.839 113.679 114.554 -0.061 0.000 2.708 619 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 619 T C 2.005 176.694 174.700 -0.018 0.000 1.037 619 T CA 2.137 64.227 62.100 -0.015 0.000 1.146 619 T CB -0.483 68.390 68.868 0.009 0.000 0.865 619 T HN 0.578 nan 8.240 nan 0.000 0.435 620 A N -0.256 122.485 122.820 -0.131 0.000 1.898 620 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 620 A C 2.113 179.670 177.584 -0.044 0.000 1.181 620 A CA 1.432 53.308 52.037 -0.267 0.000 0.620 620 A CB -1.053 17.389 19.000 -0.930 0.000 0.819 620 A HN 0.609 nan 8.150 nan 0.000 0.442 621 Y N 0.015 120.175 120.300 -0.234 0.000 2.181 621 Y HA -0.105 4.445 4.550 -0.000 0.000 0.288 621 Y C 2.945 178.872 175.900 0.045 0.000 1.146 621 Y CA 0.465 58.450 58.100 -0.191 0.000 1.164 621 Y CB -0.888 37.269 38.460 -0.506 0.000 0.982 621 Y HN 0.336 nan 8.280 nan 0.000 0.515 622 A N 0.001 122.911 122.820 0.149 0.000 1.902 622 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 622 A C 1.988 179.635 177.584 0.105 0.000 1.181 622 A CA 1.998 54.109 52.037 0.124 0.000 0.623 622 A CB -0.770 18.276 19.000 0.076 0.000 0.818 622 A HN 0.353 nan 8.150 nan 0.000 0.443 623 D N 0.072 120.527 120.400 0.092 0.000 2.149 623 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 623 D C 1.616 177.969 176.300 0.087 0.000 0.990 623 D CA 1.035 55.092 54.000 0.094 0.000 0.839 623 D CB -0.293 40.586 40.800 0.133 0.000 0.948 623 D HN 0.474 nan 8.370 nan 0.000 0.460 624 L N -1.011 120.266 121.223 0.089 0.000 2.599 624 L HA 0.199 4.539 4.340 -0.000 0.000 0.230 624 L C 1.454 178.333 176.870 0.015 0.000 1.141 624 L CA 0.434 55.310 54.840 0.059 0.000 0.877 624 L CB 0.012 42.104 42.059 0.054 0.000 1.009 624 L HN 0.154 nan 8.230 nan 0.000 0.447 625 G N -0.854 107.970 108.800 0.039 0.000 2.163 625 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.213 625 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.213 625 G C 0.067 174.936 174.900 -0.051 0.000 0.991 625 G CA -0.625 44.459 45.100 -0.027 0.000 0.653 625 G HN 0.114 nan 8.290 nan 0.000 0.518 626 F N 1.328 121.233 119.950 -0.075 0.000 2.378 626 F HA 0.517 5.044 4.527 -0.000 0.000 0.319 626 F C 0.630 176.427 175.800 -0.005 0.000 1.155 626 F CA -0.473 57.489 58.000 -0.063 0.000 1.157 626 F CB 0.712 39.691 39.000 -0.036 0.000 1.252 626 F HN -0.117 nan 8.300 nan 0.000 0.550 627 D N 1.523 122.049 120.400 0.210 0.000 2.313 627 D HA 0.313 4.953 4.640 -0.000 0.000 0.239 627 D C -0.790 175.604 176.300 0.156 0.000 1.142 627 D CA 0.088 54.172 54.000 0.141 0.000 0.847 627 D CB 1.450 42.312 40.800 0.103 0.000 1.082 627 D HN 0.028 nan 8.370 nan 0.000 0.480 628 V N 3.688 123.669 119.914 0.112 0.000 2.398 628 V HA 0.227 4.347 4.120 -0.000 0.000 0.286 628 V C 0.067 176.178 176.094 0.028 0.000 1.026 628 V CA -0.780 61.559 62.300 0.065 0.000 0.868 628 V CB 1.912 33.760 31.823 0.040 0.000 0.982 628 V HN 0.354 nan 8.190 nan 0.000 0.443 629 D N 3.745 124.152 120.400 0.011 0.000 2.303 629 D HA 0.324 4.964 4.640 -0.000 0.000 0.236 629 D C -0.538 175.748 176.300 -0.022 0.000 1.068 629 D CA -0.245 53.755 54.000 -0.001 0.000 0.830 629 D CB 2.631 43.431 40.800 0.000 0.000 1.109 629 D HN 0.246 nan 8.370 nan 0.000 0.496 630 V N 2.577 122.476 119.914 -0.026 0.000 2.389 630 V HA 0.302 4.422 4.120 -0.000 0.000 0.264 630 V C 1.173 177.244 176.094 -0.039 0.000 1.049 630 V CA -0.434 61.842 62.300 -0.040 0.000 0.932 630 V CB 1.021 32.822 31.823 -0.037 0.000 1.011 630 V HN 0.556 nan 8.190 nan 0.000 0.475 631 G N 6.976 115.749 108.800 -0.045 0.000 2.539 631 G HA2 0.505 4.465 3.960 -0.000 0.000 0.258 631 G HA3 0.505 4.465 3.960 -0.000 0.000 0.258 631 G C -2.447 172.418 174.900 -0.058 0.000 1.202 631 G CA -0.980 44.095 45.100 -0.042 0.000 0.851 631 G HN 0.569 nan 8.290 nan 0.000 0.556 632 P HA 0.232 nan 4.420 nan 0.000 0.277 632 P C 0.157 177.365 177.300 -0.154 0.000 1.240 632 P CA -0.452 62.596 63.100 -0.087 0.000 0.798 632 P CB 1.268 32.937 31.700 -0.051 0.000 0.979 633 L N 2.155 123.199 121.223 -0.298 0.000 2.474 633 L HA 0.163 4.503 4.340 -0.000 0.000 0.259 633 L C 1.050 177.608 176.870 -0.521 0.000 1.232 633 L CA -0.070 54.427 54.840 -0.571 0.000 0.821 633 L CB -0.712 40.627 42.059 -1.200 0.000 1.108 633 L HN 0.484 nan 8.230 nan 0.000 0.495 634 F N -1.999 117.970 119.950 0.032 0.000 3.006 634 F HA -0.279 4.248 4.527 -0.000 0.000 0.289 634 F C 0.750 176.557 175.800 0.012 0.000 0.772 634 F CA -0.077 57.938 58.000 0.024 0.000 1.162 634 F CB -1.857 37.169 39.000 0.043 0.000 1.382 634 F HN 0.542 nan 8.300 nan 0.000 0.406 635 Q N 1.372 121.228 119.800 0.093 0.000 2.361 635 Q HA 0.258 4.598 4.340 -0.000 0.000 0.276 635 Q C 0.982 177.015 176.000 0.054 0.000 1.022 635 Q CA 0.696 56.536 55.803 0.062 0.000 0.898 635 Q CB 1.035 29.788 28.738 0.025 0.000 1.246 635 Q HN 0.373 nan 8.270 nan 0.000 0.410 636 T N -0.796 113.781 114.554 0.037 0.000 2.816 636 T HA 0.175 4.525 4.350 -0.000 0.000 0.282 636 T C -1.972 172.740 174.700 0.021 0.000 0.993 636 T CA -1.772 60.341 62.100 0.021 0.000 0.994 636 T CB 0.664 69.537 68.868 0.007 0.000 1.025 636 T HN 0.293 nan 8.240 nan 0.000 0.529 637 P HA -0.036 nan 4.420 nan 0.000 0.218 637 P C 1.132 178.440 177.300 0.014 0.000 1.148 637 P CA 0.946 64.057 63.100 0.017 0.000 0.822 637 P CB 0.044 31.754 31.700 0.017 0.000 0.784 638 E N -0.262 119.945 120.200 0.012 0.000 2.107 638 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 638 E C 1.941 178.547 176.600 0.011 0.000 0.982 638 E CA 1.062 57.469 56.400 0.010 0.000 0.809 638 E CB -0.688 29.017 29.700 0.008 0.000 0.756 638 E HN 0.377 nan 8.360 nan 0.000 0.459 639 E N -0.121 120.087 120.200 0.013 0.000 2.047 639 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 639 E C 1.959 178.566 176.600 0.012 0.000 0.987 639 E CA 1.596 58.004 56.400 0.014 0.000 0.799 639 E CB -0.064 29.648 29.700 0.019 0.000 0.752 639 E HN 0.168 nan 8.360 nan 0.000 0.449 640 T N 0.870 115.431 114.554 0.012 0.000 2.684 640 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 640 T C 1.992 176.697 174.700 0.009 0.000 1.036 640 T CA 1.348 63.453 62.100 0.009 0.000 1.148 640 T CB -0.348 68.526 68.868 0.011 0.000 0.863 640 T HN 0.265 nan 8.240 nan 0.000 0.436 641 A N 1.749 124.575 122.820 0.011 0.000 1.883 641 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 641 A C 2.284 179.874 177.584 0.009 0.000 1.186 641 A CA 2.160 54.204 52.037 0.011 0.000 0.624 641 A CB -0.678 18.329 19.000 0.012 0.000 0.822 641 A HN 0.483 nan 8.150 nan 0.000 0.444 642 R N -0.418 120.087 120.500 0.008 0.000 2.091 642 R HA -0.225 4.115 4.340 -0.000 0.000 0.238 642 R C 2.405 178.708 176.300 0.005 0.000 1.136 642 R CA 2.019 58.123 56.100 0.007 0.000 0.959 642 R CB -0.412 29.893 30.300 0.008 0.000 0.856 642 R HN 0.699 nan 8.270 nan 0.000 0.437 643 Q N -0.274 119.528 119.800 0.004 0.000 2.084 643 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 643 Q C 1.930 177.931 176.000 0.000 0.000 0.978 643 Q CA 1.775 57.579 55.803 0.002 0.000 0.844 643 Q CB -0.173 28.565 28.738 0.000 0.000 0.898 643 Q HN 0.502 nan 8.270 nan 0.000 0.426 644 A N -0.081 122.741 122.820 0.002 0.000 1.877 644 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 644 A C 2.212 179.795 177.584 -0.002 0.000 1.186 644 A CA 1.605 53.644 52.037 0.002 0.000 0.620 644 A CB -0.825 18.180 19.000 0.008 0.000 0.822 644 A HN 0.304 nan 8.150 nan 0.000 0.443 645 V N 0.037 119.951 119.914 0.000 0.000 2.261 645 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 645 V C 2.423 178.514 176.094 -0.005 0.000 1.047 645 V CA 2.306 64.605 62.300 -0.002 0.000 1.015 645 V CB -0.953 30.872 31.823 0.003 0.000 0.642 645 V HN 0.629 nan 8.190 nan 0.000 0.446 646 E N 0.115 120.313 120.200 -0.003 0.000 2.130 646 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 646 E C 2.075 178.672 176.600 -0.006 0.000 0.998 646 E CA 1.475 57.873 56.400 -0.003 0.000 0.806 646 E CB -0.266 29.434 29.700 -0.001 0.000 0.738 646 E HN 0.605 nan 8.360 nan 0.000 0.459 647 A N 0.699 123.514 122.820 -0.008 0.000 2.251 647 A HA -0.031 4.289 4.320 -0.000 0.000 0.209 647 A C 0.350 177.919 177.584 -0.025 0.000 1.187 647 A CA 0.498 52.528 52.037 -0.011 0.000 0.823 647 A CB 0.155 19.152 19.000 -0.006 0.000 0.846 647 A HN 0.255 nan 8.150 nan 0.000 0.486 648 D N -0.610 119.770 120.400 -0.034 0.000 2.697 648 D HA -0.132 4.508 4.640 -0.000 0.000 0.238 648 D C 0.215 176.443 176.300 -0.121 0.000 1.152 648 D CA 0.848 54.809 54.000 -0.066 0.000 0.666 648 D CB -1.733 39.032 40.800 -0.059 0.000 1.037 648 D HN 0.764 nan 8.370 nan 0.000 0.423 649 V N -2.334 117.532 119.914 -0.080 0.000 3.083 649 V HA 0.401 4.521 4.120 -0.000 0.000 0.306 649 V C 1.521 177.552 176.094 -0.104 0.000 1.077 649 V CA 0.069 62.325 62.300 -0.073 0.000 1.073 649 V CB 1.365 33.192 31.823 0.007 0.000 1.081 649 V HN 0.255 nan 8.190 nan 0.000 0.474 650 H N 1.021 120.139 119.070 0.079 0.000 2.520 650 H HA 0.532 5.088 4.556 -0.000 0.000 0.279 650 H C 0.439 175.816 175.328 0.081 0.000 0.990 650 H CA 1.263 57.370 56.048 0.097 0.000 1.288 650 H CB 1.117 30.948 29.762 0.116 0.000 1.446 650 H HN 0.529 nan 8.280 nan 0.000 0.538 651 V N 0.529 120.554 119.914 0.185 0.000 2.891 651 V HA 0.315 4.435 4.120 -0.000 0.000 0.304 651 V C -1.455 174.683 176.094 0.073 0.000 1.171 651 V CA -0.928 61.445 62.300 0.122 0.000 0.943 651 V CB 2.138 34.043 31.823 0.138 0.000 1.037 651 V HN -0.151 nan 8.190 nan 0.000 0.427 652 V N 5.816 125.760 119.914 0.050 0.000 2.348 652 V HA 0.562 4.681 4.120 -0.000 0.000 0.270 652 V C 1.071 177.174 176.094 0.016 0.000 1.037 652 V CA 0.443 62.757 62.300 0.024 0.000 0.872 652 V CB 1.118 32.953 31.823 0.019 0.000 1.002 652 V HN 1.094 nan 8.190 nan 0.000 0.464 653 G N 4.706 113.498 108.800 -0.012 0.000 2.857 653 G HA2 0.427 4.387 3.960 -0.000 0.000 0.326 653 G HA3 0.427 4.387 3.960 -0.000 0.000 0.326 653 G C -0.193 174.682 174.900 -0.042 0.000 0.950 653 G CA -0.274 44.805 45.100 -0.036 0.000 1.400 653 G HN 0.529 nan 8.290 nan 0.000 0.473 654 V N 1.567 121.474 119.914 -0.012 0.000 2.585 654 V HA 0.253 4.373 4.120 -0.000 0.000 0.296 654 V C 0.808 176.893 176.094 -0.014 0.000 1.035 654 V CA 0.127 62.423 62.300 -0.007 0.000 1.084 654 V CB 1.438 33.268 31.823 0.012 0.000 0.953 654 V HN 0.583 nan 8.190 nan 0.000 0.483 655 S N 4.142 119.831 115.700 -0.019 0.000 2.594 655 S HA 0.458 4.928 4.470 -0.000 0.000 0.322 655 S C -0.376 174.230 174.600 0.009 0.000 1.085 655 S CA -0.400 57.788 58.200 -0.021 0.000 1.116 655 S CB 0.932 64.104 63.200 -0.045 0.000 0.979 655 S HN 0.804 nan 8.310 nan 0.000 0.465 656 S N 4.602 120.310 115.700 0.014 0.000 2.596 656 S HA 0.652 5.122 4.470 -0.000 0.000 0.318 656 S C -0.174 174.436 174.600 0.018 0.000 1.097 656 S CA -0.601 57.627 58.200 0.047 0.000 1.080 656 S CB 0.673 63.925 63.200 0.086 0.000 0.991 656 S HN 0.747 nan 8.310 nan 0.000 0.471 657 L N 4.212 125.434 121.223 -0.001 0.000 3.086 657 L HA 0.495 4.835 4.340 -0.000 0.000 0.274 657 L C 1.743 178.574 176.870 -0.064 0.000 1.184 657 L CA 0.367 55.122 54.840 -0.142 0.000 1.002 657 L CB 0.295 42.062 42.059 -0.486 0.000 1.383 657 L HN 0.722 nan 8.230 nan 0.000 0.582 658 A N -0.437 122.448 122.820 0.108 0.000 2.307 658 A HA 0.535 4.855 4.320 -0.000 0.000 0.218 658 A C 1.718 179.390 177.584 0.147 0.000 1.228 658 A CA 0.584 52.728 52.037 0.178 0.000 0.857 658 A CB -0.446 18.688 19.000 0.223 0.000 0.897 658 A HN 0.442 nan 8.150 nan 0.000 0.495 659 G N -1.884 107.015 108.800 0.166 0.000 2.159 659 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.256 659 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.256 659 G C 0.956 175.830 174.900 -0.043 0.000 0.977 659 G CA 0.299 45.466 45.100 0.112 0.000 0.652 659 G HN 1.384 nan 8.290 nan 0.000 0.531 660 G N 0.105 108.917 108.800 0.020 0.000 3.434 660 G HA2 0.395 4.354 3.960 -0.000 0.000 0.258 660 G HA3 0.395 4.354 3.960 -0.000 0.000 0.258 660 G C 1.172 176.029 174.900 -0.072 0.000 1.128 660 G CA 0.956 46.024 45.100 -0.054 0.000 0.792 660 G HN 0.845 nan 8.290 nan 0.000 0.539 661 H N 0.413 119.505 119.070 0.036 0.000 2.387 661 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 661 H C 2.000 177.346 175.328 0.029 0.000 1.099 661 H CA 0.813 56.881 56.048 0.033 0.000 1.315 661 H CB -0.509 29.275 29.762 0.036 0.000 1.380 661 H HN 0.358 nan 8.280 nan 0.000 0.513 662 L N 1.447 122.559 121.223 -0.185 0.000 2.275 662 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 662 L C 2.692 179.546 176.870 -0.027 0.000 1.119 662 L CA 1.666 56.474 54.840 -0.053 0.000 0.790 662 L CB -0.422 41.581 42.059 -0.093 0.000 0.919 662 L HN 0.490 nan 8.230 nan 0.000 0.443 663 T N -3.621 110.910 114.554 -0.038 0.000 3.033 663 T HA 0.103 4.453 4.350 -0.000 0.000 0.248 663 T C 1.810 176.514 174.700 0.007 0.000 1.040 663 T CA 0.048 62.140 62.100 -0.014 0.000 1.133 663 T CB -0.316 68.541 68.868 -0.019 0.000 0.895 663 T HN 0.127 nan 8.240 nan 0.000 0.465 664 L N 1.241 122.474 121.223 0.017 0.000 2.056 664 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 664 L C 2.874 179.767 176.870 0.039 0.000 1.078 664 L CA 0.765 55.624 54.840 0.032 0.000 0.749 664 L CB -0.842 41.244 42.059 0.046 0.000 0.901 664 L HN 0.117 nan 8.230 nan 0.000 0.433 665 V N 0.360 120.306 119.914 0.054 0.000 2.255 665 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 665 V C -0.077 176.039 176.094 0.035 0.000 1.051 665 V CA 2.197 64.527 62.300 0.050 0.000 1.018 665 V CB -1.871 29.994 31.823 0.069 0.000 0.641 665 V HN 0.364 nan 8.190 nan 0.000 0.445 666 P HA -0.152 nan 4.420 nan 0.000 0.216 666 P C 1.669 178.981 177.300 0.019 0.000 1.153 666 P CA 2.280 65.394 63.100 0.024 0.000 0.848 666 P CB -0.162 31.551 31.700 0.022 0.000 0.787 667 A N 0.417 123.247 122.820 0.018 0.000 1.908 667 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 667 A C 2.395 179.989 177.584 0.016 0.000 1.181 667 A CA 1.398 53.443 52.037 0.014 0.000 0.627 667 A CB -1.700 17.307 19.000 0.011 0.000 0.818 667 A HN 0.161 nan 8.150 nan 0.000 0.445 668 L N -1.131 120.103 121.223 0.019 0.000 2.017 668 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 668 L C 2.742 179.623 176.870 0.019 0.000 1.073 668 L CA 2.272 57.124 54.840 0.019 0.000 0.745 668 L CB -0.375 41.697 42.059 0.022 0.000 0.894 668 L HN 0.443 nan 8.230 nan 0.000 0.432 669 R N 0.625 121.137 120.500 0.020 0.000 2.083 669 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 669 R C 2.190 178.500 176.300 0.017 0.000 1.137 669 R CA 1.927 58.039 56.100 0.019 0.000 0.951 669 R CB -0.275 30.036 30.300 0.019 0.000 0.851 669 R HN 0.237 nan 8.270 nan 0.000 0.434 670 K N -0.307 120.102 120.400 0.015 0.000 2.057 670 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 670 K C 2.075 178.683 176.600 0.013 0.000 1.050 670 K CA 1.658 57.953 56.287 0.013 0.000 0.935 670 K CB -0.165 32.342 32.500 0.012 0.000 0.715 670 K HN 0.121 nan 8.250 nan 0.000 0.439 671 E N 0.958 121.166 120.200 0.013 0.000 2.077 671 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 671 E C 1.717 178.325 176.600 0.013 0.000 0.989 671 E CA 1.111 57.518 56.400 0.012 0.000 0.800 671 E CB -0.157 29.550 29.700 0.011 0.000 0.746 671 E HN 0.165 nan 8.360 nan 0.000 0.452 672 L N 0.596 121.828 121.223 0.015 0.000 1.989 672 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 672 L C 2.056 178.935 176.870 0.016 0.000 1.071 672 L CA 1.714 56.564 54.840 0.016 0.000 0.749 672 L CB -0.535 41.536 42.059 0.020 0.000 0.890 672 L HN 0.185 nan 8.230 nan 0.000 0.431 673 D N -0.163 120.247 120.400 0.016 0.000 2.117 673 D HA -0.220 4.420 4.640 -0.000 0.000 0.197 673 D C 2.074 178.382 176.300 0.013 0.000 0.987 673 D CA 1.239 55.248 54.000 0.015 0.000 0.829 673 D CB -0.135 40.674 40.800 0.015 0.000 0.961 673 D HN 0.233 nan 8.370 nan 0.000 0.460 674 K N 0.514 120.921 120.400 0.012 0.000 2.147 674 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 674 K C 1.807 178.413 176.600 0.009 0.000 1.049 674 K CA 0.695 56.988 56.287 0.010 0.000 0.936 674 K CB -0.083 32.423 32.500 0.009 0.000 0.722 674 K HN 0.130 nan 8.250 nan 0.000 0.446 675 L N -0.033 121.195 121.223 0.010 0.000 2.610 675 L HA 0.097 4.437 4.340 -0.000 0.000 0.232 675 L C 0.978 177.853 176.870 0.009 0.000 1.149 675 L CA 0.565 55.411 54.840 0.009 0.000 0.872 675 L CB -0.084 41.980 42.059 0.009 0.000 0.992 675 L HN 0.634 nan 8.230 nan 0.000 0.447 676 G N 0.542 109.348 108.800 0.011 0.000 2.132 676 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.234 676 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.234 676 G C 0.084 174.992 174.900 0.013 0.000 0.989 676 G CA -0.422 44.685 45.100 0.011 0.000 0.676 676 G HN 0.208 nan 8.290 nan 0.000 0.522 677 R N -0.149 120.360 120.500 0.015 0.000 2.587 677 R HA 0.346 4.686 4.340 -0.000 0.000 0.283 677 R C -1.872 174.442 176.300 0.024 0.000 1.472 677 R CA -1.869 54.243 56.100 0.019 0.000 1.578 677 R CB 1.278 31.588 30.300 0.016 0.000 1.130 677 R HN 0.233 nan 8.270 nan 0.000 0.602 678 P HA -0.078 nan 4.420 nan 0.000 0.227 678 P C 0.633 177.954 177.300 0.036 0.000 1.161 678 P CA 0.775 63.892 63.100 0.027 0.000 0.788 678 P CB 0.343 32.057 31.700 0.023 0.000 0.822 679 D N 0.161 120.586 120.400 0.043 0.000 2.224 679 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 679 D C 0.843 177.188 176.300 0.075 0.000 0.965 679 D CA 0.295 54.331 54.000 0.060 0.000 0.852 679 D CB -0.654 40.183 40.800 0.062 0.000 0.947 679 D HN 0.204 nan 8.370 nan 0.000 0.494 680 I N 1.691 122.298 120.570 0.062 0.000 2.517 680 I HA 0.035 4.204 4.170 -0.000 0.000 0.285 680 I C 0.560 176.717 176.117 0.067 0.000 1.106 680 I CA -0.259 61.083 61.300 0.070 0.000 1.402 680 I CB 0.743 38.770 38.000 0.045 0.000 1.399 680 I HN -0.118 nan 8.210 nan 0.000 0.535 681 L N 7.287 128.560 121.223 0.083 0.000 2.399 681 L HA 0.545 4.885 4.340 -0.000 0.000 0.265 681 L C -0.226 176.678 176.870 0.058 0.000 1.089 681 L CA -0.720 54.161 54.840 0.068 0.000 0.802 681 L CB 1.246 43.353 42.059 0.080 0.000 1.180 681 L HN 0.447 nan 8.230 nan 0.000 0.454 682 I N 0.660 121.254 120.570 0.040 0.000 2.433 682 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 682 I C 0.026 176.156 176.117 0.021 0.000 1.001 682 I CA -0.291 61.027 61.300 0.030 0.000 1.119 682 I CB 2.119 40.131 38.000 0.019 0.000 1.289 682 I HN 0.638 nan 8.210 nan 0.000 0.438 683 T N 2.797 117.369 114.554 0.031 0.000 2.918 683 T HA 0.792 5.142 4.350 -0.000 0.000 0.286 683 T C -0.608 174.097 174.700 0.007 0.000 1.026 683 T CA -0.782 61.337 62.100 0.032 0.000 1.031 683 T CB 2.035 71.004 68.868 0.169 0.000 1.046 683 T HN 0.215 nan 8.240 nan 0.000 0.479 684 V N 1.305 121.192 119.914 -0.044 0.000 2.525 684 V HA 0.805 4.925 4.120 -0.000 0.000 0.299 684 V C 0.491 176.561 176.094 -0.039 0.000 1.034 684 V CA -0.549 61.723 62.300 -0.046 0.000 0.863 684 V CB 1.569 33.347 31.823 -0.076 0.000 0.999 684 V HN 1.338 nan 8.190 nan 0.000 0.423 685 G N 1.672 110.480 108.800 0.014 0.000 2.569 685 G HA2 0.895 4.855 3.960 -0.000 0.000 0.300 685 G HA3 0.895 4.855 3.960 -0.000 0.000 0.300 685 G C -0.077 174.814 174.900 -0.015 0.000 1.269 685 G CA -0.032 45.092 45.100 0.041 0.000 0.959 685 G HN 1.487 nan 8.290 nan 0.000 0.478 686 G N -1.737 107.057 108.800 -0.010 0.000 2.337 686 G HA2 0.178 4.138 3.960 -0.000 0.000 0.197 686 G HA3 0.178 4.138 3.960 -0.000 0.000 0.197 686 G C -1.007 173.872 174.900 -0.035 0.000 1.238 686 G CA -0.106 44.975 45.100 -0.030 0.000 1.119 686 G HN 1.409 nan 8.290 nan 0.000 0.514 687 V N 1.882 121.764 119.914 -0.053 0.000 2.339 687 V HA 0.513 4.633 4.120 -0.000 0.000 0.261 687 V C -0.094 175.969 176.094 -0.053 0.000 1.058 687 V CA -0.211 62.069 62.300 -0.033 0.000 0.897 687 V CB 0.507 32.310 31.823 -0.033 0.000 1.052 687 V HN 0.535 nan 8.190 nan 0.000 0.480 688 I N 7.174 127.714 120.570 -0.051 0.000 2.468 688 I HA 0.423 4.593 4.170 -0.000 0.000 0.284 688 I C -2.557 173.584 176.117 0.040 0.000 1.038 688 I CA -2.777 58.458 61.300 -0.109 0.000 1.083 688 I CB 1.900 39.839 38.000 -0.102 0.000 1.223 688 I HN 0.340 nan 8.210 nan 0.000 0.443 689 P HA 0.057 nan 4.420 nan 0.000 0.268 689 P C 1.056 178.133 177.300 -0.371 0.000 1.204 689 P CA 0.187 63.223 63.100 -0.107 0.000 0.768 689 P CB 1.044 32.718 31.700 -0.043 0.000 0.842 690 E N 2.532 122.332 120.200 -0.668 0.000 2.187 690 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 690 E C 1.583 177.718 176.600 -0.776 0.000 1.004 690 E CA 1.627 57.273 56.400 -1.256 0.000 0.813 690 E CB -0.675 28.612 29.700 -0.688 0.000 0.736 690 E HN 0.569 nan 8.360 nan 0.000 0.468 691 Q N -0.689 118.902 119.800 -0.348 0.000 2.488 691 Q HA -0.039 4.301 4.340 -0.000 0.000 0.211 691 Q C 0.674 176.635 176.000 -0.066 0.000 0.967 691 Q CA 1.152 56.858 55.803 -0.162 0.000 0.926 691 Q CB -0.102 28.576 28.738 -0.100 0.000 0.992 691 Q HN 0.410 nan 8.270 nan 0.000 0.506 692 D N -0.623 119.765 120.400 -0.019 0.000 2.369 692 D HA 0.106 4.746 4.640 -0.000 0.000 0.211 692 D C 0.954 177.401 176.300 0.245 0.000 1.077 692 D CA -0.134 53.946 54.000 0.133 0.000 0.842 692 D CB 0.059 41.014 40.800 0.258 0.000 0.947 692 D HN 0.032 nan 8.370 nan 0.000 0.509 693 F N 1.678 121.630 119.950 0.003 0.000 2.075 693 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 693 F C 2.023 177.816 175.800 -0.011 0.000 1.113 693 F CA 0.828 58.816 58.000 -0.019 0.000 1.218 693 F CB -0.900 38.081 39.000 -0.032 0.000 0.984 693 F HN -0.050 nan 8.300 nan 0.000 0.472 694 D N 0.018 120.536 120.400 0.197 0.000 2.123 694 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 694 D C 2.199 178.545 176.300 0.076 0.000 0.992 694 D CA 1.376 55.438 54.000 0.103 0.000 0.833 694 D CB -0.493 40.349 40.800 0.070 0.000 0.954 694 D HN 0.405 nan 8.370 nan 0.000 0.455 695 E N 0.167 120.417 120.200 0.082 0.000 2.077 695 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 695 E C 2.322 178.965 176.600 0.073 0.000 0.989 695 E CA 0.512 56.953 56.400 0.068 0.000 0.800 695 E CB -0.072 29.669 29.700 0.069 0.000 0.746 695 E HN 0.212 nan 8.360 nan 0.000 0.452 696 L N 0.287 121.567 121.223 0.096 0.000 2.017 696 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 696 L C 2.840 179.725 176.870 0.025 0.000 1.073 696 L CA 1.236 56.119 54.840 0.072 0.000 0.745 696 L CB -0.370 41.733 42.059 0.074 0.000 0.894 696 L HN 0.101 nan 8.230 nan 0.000 0.432 697 R N 0.002 120.510 120.500 0.013 0.000 2.083 697 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 697 R C 2.298 178.602 176.300 0.006 0.000 1.137 697 R CA 1.191 57.286 56.100 -0.009 0.000 0.951 697 R CB -0.309 29.984 30.300 -0.010 0.000 0.851 697 R HN 0.267 nan 8.270 nan 0.000 0.434 698 K N 0.581 120.992 120.400 0.019 0.000 2.147 698 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 698 K C 1.294 177.906 176.600 0.019 0.000 1.049 698 K CA 1.094 57.393 56.287 0.019 0.000 0.936 698 K CB -0.121 32.393 32.500 0.023 0.000 0.722 698 K HN 0.230 nan 8.250 nan 0.000 0.446 699 D N -0.719 119.695 120.400 0.024 0.000 2.347 699 D HA -0.007 4.633 4.640 -0.000 0.000 0.215 699 D C 1.185 177.496 176.300 0.019 0.000 0.976 699 D CA 0.979 54.993 54.000 0.024 0.000 0.884 699 D CB 0.554 41.375 40.800 0.034 0.000 0.915 699 D HN 0.455 nan 8.370 nan 0.000 0.526 700 G N -0.269 108.538 108.800 0.012 0.000 2.273 700 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.162 700 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.162 700 G C 0.373 175.271 174.900 -0.002 0.000 1.006 700 G CA -0.032 45.073 45.100 0.009 0.000 0.704 700 G HN 0.479 nan 8.290 nan 0.000 0.487 701 A N 1.006 123.817 122.820 -0.016 0.000 2.396 701 A HA 0.658 4.978 4.320 -0.000 0.000 0.279 701 A C 1.676 179.219 177.584 -0.067 0.000 1.165 701 A CA 0.579 52.588 52.037 -0.048 0.000 0.824 701 A CB 0.687 19.642 19.000 -0.074 0.000 1.100 701 A HN 1.564 nan 8.150 nan 0.000 0.516 702 V N -0.382 119.497 119.914 -0.059 0.000 3.052 702 V HA 0.231 4.351 4.120 -0.000 0.000 0.254 702 V C 0.330 176.354 176.094 -0.118 0.000 1.100 702 V CA 0.877 63.142 62.300 -0.059 0.000 1.112 702 V CB -0.501 31.315 31.823 -0.012 0.000 0.738 702 V HN 0.694 nan 8.190 nan 0.000 0.469 703 E N 0.007 120.086 120.200 -0.202 0.000 2.366 703 E HA 0.626 4.976 4.350 -0.000 0.000 0.278 703 E C -1.494 174.745 176.600 -0.601 0.000 0.923 703 E CA -0.518 55.633 56.400 -0.416 0.000 0.761 703 E CB 3.056 32.489 29.700 -0.445 0.000 1.231 703 E HN 0.305 nan 8.360 nan 0.000 0.443 704 I N 2.320 122.410 120.570 -0.800 0.000 2.468 704 I HA 0.276 4.446 4.170 -0.000 0.000 0.284 704 I C -1.346 174.332 176.117 -0.731 0.000 1.038 704 I CA -0.602 60.268 61.300 -0.717 0.000 1.083 704 I CB 1.068 38.589 38.000 -0.799 0.000 1.223 704 I HN 0.370 nan 8.210 nan 0.000 0.443 705 Y N 4.526 124.719 120.300 -0.179 0.000 2.356 705 Y HA 0.442 4.992 4.550 -0.000 0.000 0.334 705 Y C 0.884 176.735 175.900 -0.082 0.000 0.958 705 Y CA -0.816 57.216 58.100 -0.112 0.000 1.196 705 Y CB 1.671 40.080 38.460 -0.085 0.000 1.137 705 Y HN 0.510 nan 8.280 nan 0.000 0.485 706 T N 0.123 114.726 114.554 0.082 0.000 2.910 706 T HA 0.547 4.897 4.350 -0.000 0.000 0.279 706 T C -2.781 171.959 174.700 0.067 0.000 0.989 706 T CA -2.876 59.269 62.100 0.075 0.000 0.968 706 T CB 1.226 70.171 68.868 0.128 0.000 1.135 706 T HN 0.140 nan 8.240 nan 0.000 0.562 707 P HA 0.290 nan 4.420 nan 0.000 0.264 707 P C 1.057 178.368 177.300 0.019 0.000 1.183 707 P CA 1.285 64.397 63.100 0.019 0.000 0.763 707 P CB 0.068 31.764 31.700 -0.008 0.000 0.807 708 G N 1.490 110.297 108.800 0.011 0.000 2.259 708 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 708 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 708 G C 0.349 175.273 174.900 0.040 0.000 1.001 708 G CA -0.027 45.082 45.100 0.014 0.000 0.627 708 G HN 0.625 nan 8.290 nan 0.000 0.501 709 T N 1.824 116.411 114.554 0.055 0.000 2.891 709 T HA 0.335 4.685 4.350 -0.000 0.000 0.296 709 T C 0.732 175.459 174.700 0.046 0.000 1.025 709 T CA 0.575 62.712 62.100 0.061 0.000 1.149 709 T CB 1.558 70.459 68.868 0.055 0.000 1.007 709 T HN 0.602 nan 8.240 nan 0.000 0.528 710 V N 6.277 126.222 119.914 0.053 0.000 2.432 710 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 710 V C 1.728 177.848 176.094 0.044 0.000 1.046 710 V CA -0.250 62.091 62.300 0.068 0.000 0.945 710 V CB 0.686 32.550 31.823 0.069 0.000 0.992 710 V HN 0.833 nan 8.190 nan 0.000 0.471 711 I N 6.724 127.324 120.570 0.051 0.000 2.118 711 I HA -0.140 4.030 4.170 -0.000 0.000 0.241 711 I C -0.122 176.008 176.117 0.023 0.000 1.070 711 I CA 1.683 62.984 61.300 0.001 0.000 1.327 711 I CB -1.185 36.746 38.000 -0.115 0.000 1.034 711 I HN 0.568 nan 8.210 nan 0.000 0.405 712 P HA -0.177 nan 4.420 nan 0.000 0.215 712 P C 1.303 178.612 177.300 0.014 0.000 1.153 712 P CA 1.677 64.793 63.100 0.026 0.000 0.853 712 P CB -0.101 31.646 31.700 0.079 0.000 0.788 713 E N 0.529 120.749 120.200 0.034 0.000 2.058 713 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 713 E C 2.382 179.004 176.600 0.037 0.000 0.997 713 E CA 1.983 58.408 56.400 0.041 0.000 0.801 713 E CB -0.480 29.254 29.700 0.056 0.000 0.746 713 E HN 0.371 nan 8.360 nan 0.000 0.450 714 S N 1.054 116.742 115.700 -0.020 0.000 2.382 714 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 714 S C 2.261 176.823 174.600 -0.062 0.000 1.027 714 S CA 0.937 59.051 58.200 -0.143 0.000 0.991 714 S CB -0.258 62.578 63.200 -0.607 0.000 0.823 714 S HN 0.298 nan 8.310 nan 0.000 0.469 715 A N 2.150 124.925 122.820 -0.075 0.000 1.883 715 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 715 A C 2.239 179.837 177.584 0.022 0.000 1.186 715 A CA 1.592 53.547 52.037 -0.136 0.000 0.624 715 A CB -0.961 17.859 19.000 -0.300 0.000 0.822 715 A HN 0.569 nan 8.150 nan 0.000 0.444 716 I N 0.635 121.215 120.570 0.017 0.000 2.127 716 I HA -0.313 3.856 4.170 -0.000 0.000 0.241 716 I C 2.995 179.150 176.117 0.062 0.000 1.075 716 I CA 1.944 63.264 61.300 0.032 0.000 1.334 716 I CB -0.280 37.738 38.000 0.030 0.000 1.040 716 I HN 0.535 nan 8.210 nan 0.000 0.405 717 S N 0.891 116.648 115.700 0.094 0.000 2.383 717 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 717 S C 1.991 176.679 174.600 0.147 0.000 1.026 717 S CA 0.986 59.258 58.200 0.120 0.000 0.981 717 S CB -0.787 62.504 63.200 0.151 0.000 0.818 717 S HN 0.368 nan 8.310 nan 0.000 0.472 718 L N 2.033 123.371 121.223 0.191 0.000 2.046 718 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 718 L C 2.410 179.364 176.870 0.140 0.000 1.077 718 L CA 1.407 56.369 54.840 0.203 0.000 0.747 718 L CB -0.926 41.280 42.059 0.246 0.000 0.896 718 L HN 0.230 nan 8.230 nan 0.000 0.432 719 V N 0.073 120.051 119.914 0.106 0.000 2.261 719 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 719 V C 2.613 178.757 176.094 0.083 0.000 1.047 719 V CA 2.216 64.544 62.300 0.047 0.000 1.015 719 V CB -0.709 31.099 31.823 -0.025 0.000 0.642 719 V HN 0.475 nan 8.190 nan 0.000 0.446 720 K N 0.138 120.581 120.400 0.072 0.000 2.020 720 K HA -0.291 4.029 4.320 -0.000 0.000 0.212 720 K C 2.257 178.897 176.600 0.067 0.000 1.050 720 K CA 1.958 58.283 56.287 0.063 0.000 0.929 720 K CB -0.324 32.207 32.500 0.051 0.000 0.714 720 K HN 0.207 nan 8.250 nan 0.000 0.443 721 K N 1.296 121.740 120.400 0.072 0.000 2.044 721 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 721 K C 1.958 178.604 176.600 0.078 0.000 1.049 721 K CA 1.132 57.459 56.287 0.066 0.000 0.927 721 K CB -0.457 32.084 32.500 0.068 0.000 0.713 721 K HN 0.016 nan 8.250 nan 0.000 0.443 722 L N 0.867 122.150 121.223 0.100 0.000 2.017 722 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 722 L C 2.082 179.034 176.870 0.137 0.000 1.073 722 L CA 1.660 56.574 54.840 0.123 0.000 0.745 722 L CB -0.539 41.592 42.059 0.121 0.000 0.894 722 L HN 0.142 nan 8.230 nan 0.000 0.432 723 R N -0.218 120.366 120.500 0.140 0.000 2.080 723 R HA -0.107 4.233 4.340 -0.000 0.000 0.236 723 R C 2.184 178.509 176.300 0.041 0.000 1.137 723 R CA 1.509 57.660 56.100 0.084 0.000 0.943 723 R CB -1.327 29.018 30.300 0.075 0.000 0.846 723 R HN 0.496 nan 8.270 nan 0.000 0.431 724 A N 0.542 123.387 122.820 0.042 0.000 1.948 724 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 724 A C 2.359 179.962 177.584 0.031 0.000 1.177 724 A CA 2.235 54.289 52.037 0.030 0.000 0.636 724 A CB -0.611 18.407 19.000 0.030 0.000 0.815 724 A HN 0.393 nan 8.150 nan 0.000 0.449 725 S N -1.205 114.523 115.700 0.046 0.000 2.428 725 S HA 0.055 4.525 4.470 -0.000 0.000 0.230 725 S C 1.746 176.375 174.600 0.048 0.000 1.014 725 S CA 1.083 59.312 58.200 0.049 0.000 0.957 725 S CB -0.337 62.901 63.200 0.065 0.000 0.784 725 S HN 0.486 nan 8.310 nan 0.000 0.499 726 L N 0.433 121.684 121.223 0.046 0.000 2.298 726 L HA 0.214 4.554 4.340 -0.000 0.000 0.209 726 L C 0.085 176.953 176.870 -0.003 0.000 1.084 726 L CA 0.379 55.236 54.840 0.030 0.000 0.816 726 L CB -0.082 41.986 42.059 0.016 0.000 0.967 726 L HN 0.124 nan 8.230 nan 0.000 0.460 727 D N 1.377 121.769 120.400 -0.012 0.000 2.943 727 D HA 0.559 5.198 4.640 -0.000 0.000 0.249 727 D C 0.068 176.364 176.300 -0.007 0.000 1.231 727 D CA 0.346 54.333 54.000 -0.021 0.000 0.979 727 D CB 0.643 41.423 40.800 -0.033 0.000 1.053 727 D HN 0.231 nan 8.370 nan 0.000 0.504 728 A N 0.000 122.819 122.820 -0.001 0.000 2.254 728 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 728 A CA 0.000 52.039 52.037 0.004 0.000 0.836 728 A CB 0.000 19.004 19.000 0.007 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486