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 1req_1_A 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 0.000 174.591 174.600 -0.015 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 2 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 3 T N -0.204 114.338 114.554 -0.020 0.000 3.824 3 T HA 0.403 4.753 4.350 -0.000 0.000 0.274 3 T C -0.369 174.306 174.700 -0.042 0.000 0.906 3 T CA 0.077 62.156 62.100 -0.034 0.000 1.170 3 T CB -0.180 68.661 68.868 -0.046 0.000 1.047 3 T HN 0.827 nan 8.240 nan 0.000 0.421 4 L N 3.009 124.209 121.223 -0.037 0.000 3.521 4 L HA -0.065 4.275 4.340 -0.000 0.000 0.653 4 L C -2.384 174.440 176.870 -0.077 0.000 1.077 4 L CA -0.398 54.421 54.840 -0.035 0.000 1.144 4 L CB -1.514 40.537 42.059 -0.013 0.000 1.447 4 L HN 0.408 nan 8.230 nan 0.000 0.811 5 P HA 0.124 nan 4.420 nan 0.000 0.265 5 P C 0.020 177.133 177.300 -0.312 0.000 1.187 5 P CA 0.276 63.182 63.100 -0.323 0.000 0.766 5 P CB 0.503 31.863 31.700 -0.567 0.000 0.820 6 R N 2.421 122.716 120.500 -0.342 0.000 2.388 6 R HA 0.264 4.604 4.340 -0.000 0.000 0.314 6 R C -0.005 176.154 176.300 -0.234 0.000 0.959 6 R CA -0.531 55.468 56.100 -0.169 0.000 0.851 6 R CB 0.341 30.599 30.300 -0.071 0.000 1.168 6 R HN 0.436 nan 8.270 nan 0.000 0.472 7 F N 1.342 121.294 119.950 0.003 0.000 2.769 7 F HA -0.004 4.523 4.527 0.000 0.000 0.304 7 F C 1.764 177.566 175.800 0.003 0.000 1.158 7 F CA 0.197 58.199 58.000 0.003 0.000 1.398 7 F CB 0.203 39.205 39.000 0.004 0.000 1.094 7 F HN 0.465 nan 8.300 nan 0.000 0.553 8 D N -0.962 119.509 120.400 0.119 0.000 2.371 8 D HA -0.103 4.537 4.640 -0.000 0.000 0.221 8 D C 1.398 177.730 176.300 0.053 0.000 0.986 8 D CA 1.140 55.188 54.000 0.079 0.000 0.899 8 D CB -0.161 40.671 40.800 0.054 0.000 0.902 8 D HN 0.374 nan 8.370 nan 0.000 0.530 9 S N -0.129 115.592 115.700 0.036 0.000 2.506 9 S HA 0.132 4.602 4.470 -0.000 0.000 0.219 9 S C 0.961 175.582 174.600 0.035 0.000 1.031 9 S CA -0.447 57.766 58.200 0.020 0.000 0.911 9 S CB 0.108 63.302 63.200 -0.010 0.000 0.812 9 S HN 0.037 nan 8.310 nan 0.000 0.497 10 V N 4.208 124.160 119.914 0.063 0.000 2.585 10 V HA 0.174 4.294 4.120 -0.000 0.000 0.296 10 V C -0.106 176.058 176.094 0.117 0.000 1.035 10 V CA -0.248 62.111 62.300 0.099 0.000 1.084 10 V CB 0.222 32.157 31.823 0.187 0.000 0.953 10 V HN 0.316 nan 8.190 nan 0.000 0.483 11 D N 2.773 123.222 120.400 0.081 0.000 2.341 11 D HA 0.149 4.789 4.640 -0.000 0.000 0.245 11 D C 0.778 177.123 176.300 0.076 0.000 1.106 11 D CA -0.387 53.651 54.000 0.065 0.000 0.905 11 D CB 1.699 42.524 40.800 0.042 0.000 1.202 11 D HN 0.401 nan 8.370 nan 0.000 0.426 12 L N 2.156 123.411 121.223 0.052 0.000 2.027 12 L HA 0.087 4.427 4.340 -0.000 0.000 0.206 12 L C 1.001 177.892 176.870 0.035 0.000 1.074 12 L CA 2.213 57.076 54.840 0.038 0.000 0.745 12 L CB -0.725 41.345 42.059 0.017 0.000 0.898 12 L HN 0.725 nan 8.230 nan 0.000 0.433 13 G N -0.917 107.900 108.800 0.029 0.000 2.655 13 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.680 13 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.680 13 G C -0.083 174.827 174.900 0.016 0.000 1.302 13 G CA -0.006 45.109 45.100 0.024 0.000 0.872 13 G HN 0.385 nan 8.290 nan 0.000 0.540 14 N N 0.964 119.672 118.700 0.014 0.000 2.276 14 N HA 0.474 5.214 4.740 -0.000 0.000 0.212 14 N C 1.009 176.525 175.510 0.009 0.000 1.127 14 N CA 0.749 53.805 53.050 0.010 0.000 0.834 14 N CB 0.447 38.940 38.487 0.009 0.000 1.014 14 N HN 1.867 nan 8.380 nan 0.000 0.491 15 A N 2.017 124.843 122.820 0.011 0.000 2.046 15 A HA -0.145 4.175 4.320 -0.000 0.000 0.265 15 A C -1.930 175.659 177.584 0.008 0.000 1.343 15 A CA -0.268 51.774 52.037 0.010 0.000 0.749 15 A CB -1.321 17.683 19.000 0.007 0.000 1.171 15 A HN 0.285 nan 8.150 nan 0.000 0.316 16 P HA 0.428 nan 4.420 nan 0.000 0.276 16 P C -0.374 176.931 177.300 0.008 0.000 1.230 16 P CA -0.198 62.907 63.100 0.009 0.000 0.776 16 P CB 1.238 32.944 31.700 0.010 0.000 0.888 17 V N 5.598 125.515 119.914 0.006 0.000 2.364 17 V HA 0.193 4.312 4.120 -0.000 0.000 0.272 17 V C -1.616 174.482 176.094 0.007 0.000 1.036 17 V CA -1.342 60.961 62.300 0.005 0.000 0.880 17 V CB 0.332 32.154 31.823 -0.001 0.000 0.991 17 V HN 0.625 nan 8.190 nan 0.000 0.460 18 P HA 0.092 nan 4.420 nan 0.000 0.269 18 P C 0.790 178.096 177.300 0.011 0.000 1.211 18 P CA -0.068 63.039 63.100 0.012 0.000 0.781 18 P CB 0.677 32.386 31.700 0.016 0.000 0.877 19 A N 1.694 124.520 122.820 0.010 0.000 2.015 19 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 19 A C 1.188 178.779 177.584 0.012 0.000 1.163 19 A CA 1.579 53.621 52.037 0.009 0.000 0.646 19 A CB -0.768 18.236 19.000 0.007 0.000 0.806 19 A HN 0.678 nan 8.150 nan 0.000 0.448 20 D N -0.794 119.615 120.400 0.015 0.000 2.427 20 D HA 0.424 5.064 4.640 -0.000 0.000 0.224 20 D C 1.182 177.501 176.300 0.032 0.000 1.157 20 D CA 0.553 54.564 54.000 0.020 0.000 0.828 20 D CB -0.205 40.605 40.800 0.016 0.000 0.974 20 D HN 0.241 nan 8.370 nan 0.000 0.498 21 A N 1.206 124.046 122.820 0.033 0.000 1.858 21 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 21 A C 2.400 180.036 177.584 0.086 0.000 1.190 21 A CA 2.027 54.093 52.037 0.049 0.000 0.617 21 A CB -0.883 18.133 19.000 0.027 0.000 0.827 21 A HN 0.364 nan 8.150 nan 0.000 0.443 22 A N 0.768 123.630 122.820 0.071 0.000 1.883 22 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 22 A C 2.247 179.910 177.584 0.132 0.000 1.186 22 A CA 2.027 54.131 52.037 0.111 0.000 0.624 22 A CB -0.585 18.447 19.000 0.054 0.000 0.822 22 A HN 0.731 nan 8.150 nan 0.000 0.444 23 R N -0.909 119.630 120.500 0.065 0.000 2.148 23 R HA 0.033 4.373 4.340 -0.000 0.000 0.223 23 R C 2.055 178.368 176.300 0.021 0.000 1.088 23 R CA 1.145 57.265 56.100 0.034 0.000 0.985 23 R CB -0.347 29.962 30.300 0.015 0.000 0.880 23 R HN 0.423 nan 8.270 nan 0.000 0.451 24 R N -0.022 120.501 120.500 0.040 0.000 2.092 24 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 24 R C 2.016 178.339 176.300 0.038 0.000 1.119 24 R CA 1.549 57.667 56.100 0.030 0.000 0.970 24 R CB -0.371 29.956 30.300 0.046 0.000 0.864 24 R HN 0.226 nan 8.270 nan 0.000 0.440 25 F N 2.171 122.108 119.950 -0.021 0.000 2.113 25 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 25 F C 2.234 178.016 175.800 -0.030 0.000 1.103 25 F CA 1.683 59.667 58.000 -0.026 0.000 1.248 25 F CB -0.302 38.678 39.000 -0.032 0.000 0.999 25 F HN -0.122 nan 8.300 nan 0.000 0.475 26 E N 0.759 120.787 120.200 -0.287 0.000 2.097 26 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 26 E C 2.070 178.495 176.600 -0.292 0.000 1.000 26 E CA 1.733 57.936 56.400 -0.329 0.000 0.804 26 E CB -0.452 29.193 29.700 -0.092 0.000 0.740 26 E HN 0.500 nan 8.360 nan 0.000 0.454 27 E N -0.300 119.789 120.200 -0.185 0.000 2.150 27 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 27 E C 1.998 178.494 176.600 -0.173 0.000 0.985 27 E CA 0.920 57.232 56.400 -0.146 0.000 0.814 27 E CB -0.247 29.403 29.700 -0.084 0.000 0.752 27 E HN 0.375 nan 8.360 nan 0.000 0.466 28 L N -0.449 120.644 121.223 -0.217 0.000 2.093 28 L HA -0.079 4.260 4.340 -0.000 0.000 0.208 28 L C 2.438 179.139 176.870 -0.282 0.000 1.085 28 L CA 1.016 55.737 54.840 -0.197 0.000 0.755 28 L CB -0.531 41.445 42.059 -0.138 0.000 0.904 28 L HN 0.164 nan 8.230 nan 0.000 0.435 29 A N 0.214 122.725 122.820 -0.515 0.000 1.902 29 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 29 A C 2.562 180.006 177.584 -0.235 0.000 1.181 29 A CA 1.735 53.512 52.037 -0.432 0.000 0.623 29 A CB -0.714 17.893 19.000 -0.655 0.000 0.818 29 A HN 0.385 nan 8.150 nan 0.000 0.443 30 A N -0.128 122.569 122.820 -0.204 0.000 1.883 30 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 30 A C 2.107 179.632 177.584 -0.097 0.000 1.186 30 A CA 1.929 53.890 52.037 -0.126 0.000 0.624 30 A CB -0.461 18.474 19.000 -0.107 0.000 0.822 30 A HN 0.540 nan 8.150 nan 0.000 0.444 31 K N -0.465 119.876 120.400 -0.099 0.000 2.211 31 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 31 K C 2.002 178.565 176.600 -0.062 0.000 1.050 31 K CA 0.849 57.093 56.287 -0.070 0.000 0.945 31 K CB -0.214 32.248 32.500 -0.063 0.000 0.732 31 K HN 0.452 nan 8.250 nan 0.000 0.451 32 A N 0.317 123.093 122.820 -0.073 0.000 2.119 32 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 32 A C 1.434 178.991 177.584 -0.045 0.000 1.152 32 A CA 1.119 53.123 52.037 -0.054 0.000 0.708 32 A CB -0.222 18.744 19.000 -0.058 0.000 0.805 32 A HN 0.404 nan 8.150 nan 0.000 0.460 33 G N -1.690 107.081 108.800 -0.049 0.000 2.138 33 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.193 33 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.193 33 G C 0.224 175.102 174.900 -0.036 0.000 0.998 33 G CA 0.066 45.144 45.100 -0.037 0.000 0.668 33 G HN 0.569 nan 8.290 nan 0.000 0.516 34 T N 1.286 115.810 114.554 -0.050 0.000 2.866 34 T HA 0.456 4.806 4.350 -0.000 0.000 0.293 34 T C 1.312 175.997 174.700 -0.026 0.000 1.005 34 T CA 0.962 63.039 62.100 -0.040 0.000 1.162 34 T CB 1.381 70.212 68.868 -0.061 0.000 0.968 34 T HN 1.010 nan 8.240 nan 0.000 0.530 35 G N 1.677 110.473 108.800 -0.007 0.000 2.890 35 G HA2 0.680 4.640 3.960 -0.000 0.000 0.189 35 G HA3 0.680 4.640 3.960 -0.000 0.000 0.189 35 G C -0.018 174.891 174.900 0.016 0.000 1.342 35 G CA -0.292 44.810 45.100 0.004 0.000 1.026 35 G HN 0.905 nan 8.290 nan 0.000 0.579 36 E N -1.160 119.057 120.200 0.029 0.000 2.342 36 E HA 0.619 4.969 4.350 -0.000 0.000 0.257 36 E C 0.619 177.260 176.600 0.067 0.000 1.150 36 E CA -0.395 56.026 56.400 0.036 0.000 0.926 36 E CB 0.216 29.936 29.700 0.033 0.000 1.074 36 E HN 1.441 nan 8.360 nan 0.000 0.449 37 A N 0.157 123.021 122.820 0.072 0.000 2.561 37 A HA 0.290 4.610 4.320 -0.000 0.000 0.234 37 A C 0.015 177.713 177.584 0.189 0.000 1.055 37 A CA 0.154 52.261 52.037 0.117 0.000 0.756 37 A CB -0.407 18.644 19.000 0.085 0.000 0.986 37 A HN 0.984 nan 8.150 nan 0.000 0.505 38 W N 2.289 123.613 121.300 0.041 0.000 2.251 38 W HA 0.408 5.068 4.660 -0.000 0.000 0.327 38 W C 0.034 176.586 176.519 0.055 0.000 1.361 38 W CA -0.339 57.033 57.345 0.046 0.000 1.234 38 W CB 0.276 29.770 29.460 0.056 0.000 1.212 38 W HN 0.708 nan 8.180 nan 0.000 0.557 39 E N 4.659 124.782 120.200 -0.128 0.000 2.055 39 E HA 0.236 4.586 4.350 -0.000 0.000 0.274 39 E C 0.406 176.651 176.600 -0.591 0.000 0.949 39 E CA -0.357 55.872 56.400 -0.285 0.000 0.775 39 E CB 0.507 30.149 29.700 -0.097 0.000 1.097 39 E HN 0.418 nan 8.360 nan 0.000 0.404 40 T N 1.058 115.138 114.554 -0.790 0.000 2.680 40 T HA 0.175 4.525 4.350 -0.000 0.000 0.314 40 T C 1.303 175.805 174.700 -0.331 0.000 1.045 40 T CA -0.034 61.609 62.100 -0.761 0.000 1.025 40 T CB 1.088 69.560 68.868 -0.659 0.000 1.000 40 T HN 0.423 nan 8.240 nan 0.000 0.535 41 A N -0.165 122.534 122.820 -0.202 0.000 2.119 41 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 41 A C 2.013 179.527 177.584 -0.118 0.000 1.153 41 A CA 0.846 52.816 52.037 -0.113 0.000 0.692 41 A CB -0.789 18.176 19.000 -0.059 0.000 0.799 41 A HN 0.845 nan 8.150 nan 0.000 0.458 42 E N -0.595 119.521 120.200 -0.140 0.000 2.481 42 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 42 E C 0.121 176.658 176.600 -0.105 0.000 1.047 42 E CA 0.220 56.550 56.400 -0.118 0.000 0.867 42 E CB -0.202 29.418 29.700 -0.133 0.000 0.858 42 E HN 0.613 nan 8.360 nan 0.000 0.513 43 Q N -0.565 119.161 119.800 -0.124 0.000 2.487 43 Q HA -0.197 4.143 4.340 -0.000 0.000 0.279 43 Q C -0.854 175.081 176.000 -0.108 0.000 1.228 43 Q CA 0.361 56.100 55.803 -0.106 0.000 0.873 43 Q CB -1.722 26.976 28.738 -0.068 0.000 1.260 43 Q HN 0.338 nan 8.270 nan 0.000 0.471 44 I N 1.896 122.380 120.570 -0.143 0.000 2.328 44 I HA 0.326 4.496 4.170 -0.000 0.000 0.287 44 I C -1.949 174.092 176.117 -0.128 0.000 1.012 44 I CA -2.253 58.979 61.300 -0.114 0.000 1.195 44 I CB 1.141 39.072 38.000 -0.115 0.000 1.350 44 I HN -0.135 nan 8.210 nan 0.000 0.464 45 P HA 0.153 nan 4.420 nan 0.000 0.281 45 P C -0.728 176.636 177.300 0.106 0.000 1.252 45 P CA -0.179 62.917 63.100 -0.006 0.000 0.778 45 P CB 1.615 33.328 31.700 0.021 0.000 0.895 46 V N 4.163 124.174 119.914 0.160 0.000 2.349 46 V HA 0.454 4.574 4.120 -0.000 0.000 0.284 46 V C 1.094 177.376 176.094 0.312 0.000 1.014 46 V CA -0.314 62.211 62.300 0.375 0.000 0.826 46 V CB 1.160 33.267 31.823 0.473 0.000 1.009 46 V HN 0.763 nan 8.190 nan 0.000 0.431 47 G N 2.846 111.750 108.800 0.173 0.000 2.494 47 G HA2 0.345 4.305 3.960 -0.000 0.000 0.270 47 G HA3 0.345 4.305 3.960 -0.000 0.000 0.270 47 G C 1.009 175.887 174.900 -0.036 0.000 1.423 47 G CA 0.521 45.619 45.100 -0.003 0.000 1.055 47 G HN 0.723 nan 8.290 nan 0.000 0.536 48 T N -2.806 111.701 114.554 -0.077 0.000 3.086 48 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 48 T C 0.058 174.703 174.700 -0.092 0.000 1.074 48 T CA 0.057 62.138 62.100 -0.033 0.000 0.988 48 T CB -0.076 68.823 68.868 0.052 0.000 0.988 48 T HN 0.392 nan 8.240 nan 0.000 0.530 49 L N 0.416 121.458 121.223 -0.301 0.000 2.611 49 L HA 0.626 4.965 4.340 -0.000 0.000 0.260 49 L C -2.213 174.316 176.870 -0.567 0.000 0.924 49 L CA -1.035 53.615 54.840 -0.317 0.000 0.901 49 L CB 1.691 43.508 42.059 -0.402 0.000 1.369 49 L HN 0.103 nan 8.230 nan 0.000 0.415 50 F N 3.227 123.096 119.950 -0.136 0.000 2.495 50 F HA 0.637 5.164 4.527 -0.000 0.000 0.327 50 F C 0.388 176.107 175.800 -0.134 0.000 1.103 50 F CA -0.309 57.635 58.000 -0.094 0.000 0.949 50 F CB 2.005 40.998 39.000 -0.012 0.000 1.142 50 F HN 0.511 nan 8.300 nan 0.000 0.457 51 N N 0.228 118.883 118.700 -0.076 0.000 2.966 51 N HA 0.202 4.942 4.740 -0.000 0.000 0.314 51 N C 0.671 176.016 175.510 -0.275 0.000 1.397 51 N CA -0.666 52.300 53.050 -0.141 0.000 0.776 51 N CB 0.945 39.346 38.487 -0.144 0.000 1.576 51 N HN 0.559 nan 8.380 nan 0.000 0.592 52 E N 0.428 120.456 120.200 -0.286 0.000 2.333 52 E HA -0.218 4.131 4.350 -0.000 0.000 0.198 52 E C 0.181 176.589 176.600 -0.319 0.000 1.007 52 E CA 1.224 57.392 56.400 -0.387 0.000 0.845 52 E CB -0.368 29.320 29.700 -0.020 0.000 0.766 52 E HN 0.699 nan 8.360 nan 0.000 0.507 53 D N 2.342 122.623 120.400 -0.198 0.000 2.218 53 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 53 D C 2.185 178.398 176.300 -0.144 0.000 0.976 53 D CA 1.749 55.673 54.000 -0.127 0.000 0.853 53 D CB -0.925 39.829 40.800 -0.076 0.000 0.939 53 D HN 0.308 nan 8.370 nan 0.000 0.481 54 V N -0.873 118.914 119.914 -0.211 0.000 2.469 54 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 54 V C 2.037 178.011 176.094 -0.199 0.000 1.064 54 V CA 1.132 63.346 62.300 -0.143 0.000 1.066 54 V CB -1.432 30.347 31.823 -0.073 0.000 0.667 54 V HN 0.005 nan 8.190 nan 0.000 0.461 55 Y N 1.258 121.477 120.300 -0.135 0.000 2.497 55 Y HA -0.012 4.538 4.550 -0.000 0.000 0.292 55 Y C 2.896 178.609 175.900 -0.312 0.000 1.137 55 Y CA 0.942 58.882 58.100 -0.267 0.000 1.285 55 Y CB -1.388 36.932 38.460 -0.234 0.000 0.991 55 Y HN 0.311 nan 8.280 nan 0.000 0.556 56 K N 0.566 120.918 120.400 -0.080 0.000 2.020 56 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 56 K C 1.104 177.602 176.600 -0.171 0.000 1.050 56 K CA 2.167 58.396 56.287 -0.096 0.000 0.929 56 K CB -0.741 31.733 32.500 -0.044 0.000 0.714 56 K HN 0.427 nan 8.250 nan 0.000 0.443 57 D N -0.201 120.067 120.400 -0.220 0.000 2.328 57 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 57 D C 0.102 175.992 176.300 -0.684 0.000 1.072 57 D CA 0.207 54.046 54.000 -0.269 0.000 0.850 57 D CB -0.071 40.754 40.800 0.041 0.000 0.922 57 D HN 0.454 nan 8.370 nan 0.000 0.516 58 M N 1.312 120.360 119.600 -0.920 0.000 2.146 58 M HA 0.079 4.559 4.480 -0.000 0.000 0.352 58 M C 0.558 176.322 176.300 -0.893 0.000 1.343 58 M CA -0.254 54.238 55.300 -1.347 0.000 1.115 58 M CB 1.073 32.600 32.600 -1.789 0.000 1.657 58 M HN -0.232 nan 8.290 nan 0.000 0.471 59 D N 1.140 121.223 120.400 -0.529 0.000 2.363 59 D HA -0.026 4.614 4.640 -0.000 0.000 0.214 59 D C 0.699 176.917 176.300 -0.137 0.000 1.093 59 D CA -0.156 53.691 54.000 -0.255 0.000 0.837 59 D CB -0.247 40.506 40.800 -0.077 0.000 0.948 59 D HN 0.774 nan 8.370 nan 0.000 0.507 60 W N -0.356 120.828 121.300 -0.193 0.000 3.132 60 W HA 0.437 5.097 4.660 -0.000 0.000 0.364 60 W C 0.446 176.860 176.519 -0.175 0.000 1.129 60 W CA -0.636 56.601 57.345 -0.180 0.000 1.815 60 W CB -0.454 28.891 29.460 -0.192 0.000 1.099 60 W HN -0.181 nan 8.180 nan 0.000 0.605 61 L N 1.328 122.237 121.223 -0.523 0.000 2.551 61 L HA 0.033 4.373 4.340 -0.000 0.000 0.228 61 L C 0.700 177.429 176.870 -0.236 0.000 1.153 61 L CA 1.116 55.695 54.840 -0.435 0.000 0.851 61 L CB -0.304 41.392 42.059 -0.605 0.000 0.959 61 L HN -0.020 nan 8.230 nan 0.000 0.451 62 D N -0.127 120.167 120.400 -0.176 0.000 2.945 62 D HA 0.110 4.750 4.640 -0.000 0.000 0.369 62 D C 0.157 176.350 176.300 -0.179 0.000 1.294 62 D CA -0.055 53.838 54.000 -0.178 0.000 0.778 62 D CB 0.375 41.089 40.800 -0.144 0.000 1.188 62 D HN 0.082 nan 8.370 nan 0.000 0.479 63 T N -2.867 111.612 114.554 -0.125 0.000 2.905 63 T HA 0.674 5.024 4.350 -0.000 0.000 0.283 63 T C -0.428 174.159 174.700 -0.187 0.000 1.031 63 T CA -0.606 61.448 62.100 -0.077 0.000 1.002 63 T CB 1.485 70.359 68.868 0.009 0.000 1.200 63 T HN -0.045 nan 8.240 nan 0.000 0.560 64 Y N -0.434 119.981 120.300 0.191 0.000 2.499 64 Y HA 0.647 5.196 4.550 -0.000 0.000 0.347 64 Y C 0.586 176.616 175.900 0.217 0.000 0.987 64 Y CA -1.238 56.980 58.100 0.196 0.000 1.044 64 Y CB 1.805 40.300 38.460 0.059 0.000 1.245 64 Y HN 1.084 nan 8.280 nan 0.000 0.461 65 A N 1.063 124.099 122.820 0.360 0.000 2.498 65 A HA 0.416 4.736 4.320 -0.000 0.000 0.239 65 A C 1.306 179.049 177.584 0.265 0.000 1.068 65 A CA 0.713 52.934 52.037 0.307 0.000 0.766 65 A CB -0.887 18.263 19.000 0.250 0.000 1.003 65 A HN 1.674 nan 8.150 nan 0.000 0.497 66 G N 0.352 109.352 108.800 0.333 0.000 2.153 66 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.252 66 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.252 66 G C -0.056 174.991 174.900 0.244 0.000 0.994 66 G CA 0.721 46.053 45.100 0.387 0.000 0.698 66 G HN 1.000 nan 8.290 nan 0.000 0.521 67 I N 0.258 120.765 120.570 -0.104 0.000 2.607 67 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 67 I C -2.444 173.121 176.117 -0.919 0.000 1.129 67 I CA -2.697 58.379 61.300 -0.374 0.000 1.042 67 I CB 2.696 40.628 38.000 -0.113 0.000 1.242 67 I HN -0.220 nan 8.210 nan 0.000 0.421 68 P HA 0.055 nan 4.420 nan 0.000 0.262 68 P C -2.122 174.902 177.300 -0.460 0.000 1.182 68 P CA -0.699 61.816 63.100 -0.975 0.000 0.761 68 P CB -0.114 31.282 31.700 -0.508 0.000 0.795 69 P HA 0.228 nan 4.420 nan 0.000 0.254 69 P C -0.496 176.753 177.300 -0.084 0.000 1.620 69 P CA -0.618 62.351 63.100 -0.218 0.000 1.050 69 P CB -0.315 31.312 31.700 -0.121 0.000 1.539 70 F N -2.035 117.885 119.950 -0.051 0.000 3.067 70 F HA -0.212 4.315 4.527 -0.000 0.000 0.279 70 F C 1.740 177.474 175.800 -0.109 0.000 0.945 70 F CA 0.461 58.434 58.000 -0.045 0.000 0.948 70 F CB -2.530 36.458 39.000 -0.020 0.000 0.898 70 F HN -0.027 nan 8.300 nan 0.000 0.746 71 V N 0.139 119.984 119.914 -0.114 0.000 2.427 71 V HA -0.248 3.871 4.120 -0.000 0.000 0.248 71 V C 2.333 178.307 176.094 -0.199 0.000 1.051 71 V CA 2.513 64.652 62.300 -0.269 0.000 1.048 71 V CB -0.231 31.308 31.823 -0.475 0.000 0.666 71 V HN 0.553 nan 8.190 nan 0.000 0.456 72 H N 0.319 119.429 119.070 0.067 0.000 2.551 72 H HA 0.448 5.004 4.556 -0.000 0.000 0.266 72 H C 0.953 176.380 175.328 0.165 0.000 0.977 72 H CA 0.835 56.940 56.048 0.095 0.000 1.163 72 H CB 0.084 29.898 29.762 0.088 0.000 1.381 72 H HN 0.600 nan 8.280 nan 0.000 0.581 73 G N 0.302 109.232 108.800 0.217 0.000 2.326 73 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.413 73 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.413 73 G C -2.224 172.739 174.900 0.104 0.000 1.444 73 G CA -0.483 44.682 45.100 0.109 0.000 1.002 73 G HN -0.169 nan 8.290 nan 0.000 0.649 74 P HA 0.031 nan 4.420 nan 0.000 0.219 74 P C 0.007 177.232 177.300 -0.125 0.000 1.150 74 P CA 1.214 64.078 63.100 -0.394 0.000 0.814 74 P CB 0.028 31.256 31.700 -0.787 0.000 0.787 75 Y N -1.394 118.980 120.300 0.123 0.000 2.409 75 Y HA 0.605 5.155 4.550 -0.000 0.000 0.339 75 Y C 1.897 177.870 175.900 0.122 0.000 1.033 75 Y CA -1.470 56.701 58.100 0.117 0.000 1.094 75 Y CB 0.032 38.544 38.460 0.088 0.000 1.210 75 Y HN -0.159 nan 8.280 nan 0.000 0.456 76 A N 1.194 124.167 122.820 0.256 0.000 1.958 76 A HA -0.227 4.092 4.320 -0.000 0.000 0.221 76 A C 1.888 179.556 177.584 0.141 0.000 1.178 76 A CA 2.810 54.948 52.037 0.168 0.000 0.642 76 A CB -1.086 17.971 19.000 0.096 0.000 0.816 76 A HN 0.892 nan 8.150 nan 0.000 0.453 77 T N -5.756 108.880 114.554 0.137 0.000 2.990 77 T HA 0.380 4.730 4.350 -0.000 0.000 0.250 77 T C 1.010 175.811 174.700 0.168 0.000 1.041 77 T CA 0.483 62.664 62.100 0.134 0.000 1.010 77 T CB -0.079 68.849 68.868 0.099 0.000 1.003 77 T HN 0.225 nan 8.240 nan 0.000 0.499 78 M N 0.912 120.622 119.600 0.183 0.000 7.319 78 M HA -0.266 4.214 4.480 -0.000 0.000 0.191 78 M C 0.932 177.363 176.300 0.219 0.000 0.480 78 M CA 1.622 56.960 55.300 0.062 0.000 1.311 78 M CB -2.040 30.335 32.600 -0.375 0.000 0.421 78 M HN 0.308 nan 8.290 nan 0.000 0.563 79 Y N 0.184 120.504 120.300 0.033 0.000 2.583 79 Y HA 0.318 4.868 4.550 -0.000 0.000 0.293 79 Y C 2.311 178.270 175.900 0.098 0.000 1.157 79 Y CA 0.803 58.958 58.100 0.093 0.000 1.315 79 Y CB -1.581 36.970 38.460 0.151 0.000 1.021 79 Y HN 0.611 nan 8.280 nan 0.000 0.536 80 A N -0.208 122.764 122.820 0.254 0.000 1.940 80 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 80 A C 2.073 179.789 177.584 0.219 0.000 1.176 80 A CA 1.761 53.914 52.037 0.194 0.000 0.631 80 A CB -0.969 18.128 19.000 0.163 0.000 0.814 80 A HN 0.407 nan 8.150 nan 0.000 0.446 81 F N -1.057 118.941 119.950 0.080 0.000 2.243 81 F HA 0.334 4.861 4.527 -0.000 0.000 0.287 81 F C 0.975 176.797 175.800 0.036 0.000 1.067 81 F CA 0.998 59.027 58.000 0.049 0.000 1.304 81 F CB 0.246 39.272 39.000 0.043 0.000 1.087 81 F HN 0.118 nan 8.300 nan 0.000 0.513 82 R N 0.764 121.299 120.500 0.058 0.000 2.548 82 R HA 0.324 4.664 4.340 -0.000 0.000 0.280 82 R C -2.975 173.344 176.300 0.031 0.000 1.061 82 R CA -2.093 53.933 56.100 -0.124 0.000 0.915 82 R CB 1.886 32.093 30.300 -0.155 0.000 1.210 82 R HN -0.120 nan 8.270 nan 0.000 0.442 83 P HA 0.108 nan 4.420 nan 0.000 0.276 83 P C -0.667 176.380 177.300 -0.423 0.000 1.252 83 P CA -0.425 62.411 63.100 -0.439 0.000 0.802 83 P CB 0.366 31.628 31.700 -0.730 0.000 1.035 84 W N 0.703 121.645 121.300 -0.597 0.000 2.124 84 W HA 0.234 4.894 4.660 -0.000 0.000 0.356 84 W C -0.631 175.822 176.519 -0.111 0.000 1.302 84 W CA -0.212 57.015 57.345 -0.198 0.000 1.293 84 W CB -1.613 27.733 29.460 -0.188 0.000 1.199 84 W HN 0.162 nan 8.180 nan 0.000 0.606 85 T N 3.477 118.088 114.554 0.096 0.000 2.794 85 T HA 0.268 4.618 4.350 -0.000 0.000 0.296 85 T C 0.232 174.986 174.700 0.090 0.000 0.949 85 T CA -0.412 61.682 62.100 -0.010 0.000 1.101 85 T CB 0.241 69.135 68.868 0.044 0.000 0.905 85 T HN 0.326 nan 8.240 nan 0.000 0.516 86 I N 4.038 124.583 120.570 -0.041 0.000 2.471 86 I HA 0.167 4.337 4.170 -0.000 0.000 0.294 86 I C 1.017 177.174 176.117 0.067 0.000 1.123 86 I CA 0.299 61.644 61.300 0.075 0.000 1.336 86 I CB -0.034 37.958 38.000 -0.014 0.000 1.430 86 I HN 0.385 nan 8.210 nan 0.000 0.533 87 R N 5.942 126.525 120.500 0.137 0.000 2.494 87 R HA 0.204 4.544 4.340 -0.000 0.000 0.284 87 R C -0.783 175.624 176.300 0.177 0.000 1.525 87 R CA -0.637 55.522 56.100 0.097 0.000 1.460 87 R CB 0.581 30.918 30.300 0.063 0.000 1.134 87 R HN 0.510 nan 8.270 nan 0.000 0.592 88 Q N 2.716 122.607 119.800 0.152 0.000 2.295 88 Q HA 0.013 4.353 4.340 -0.000 0.000 0.259 88 Q C -0.753 175.463 176.000 0.359 0.000 0.976 88 Q CA -0.139 55.847 55.803 0.304 0.000 0.923 88 Q CB 1.066 29.864 28.738 0.100 0.000 1.185 88 Q HN 0.385 nan 8.270 nan 0.000 0.410 89 Y N 1.995 122.516 120.300 0.368 0.000 2.442 89 Y HA 0.330 4.880 4.550 -0.000 0.000 0.330 89 Y C -0.413 175.592 175.900 0.175 0.000 1.129 89 Y CA -0.551 57.575 58.100 0.044 0.000 1.365 89 Y CB 0.449 38.755 38.460 -0.257 0.000 1.233 89 Y HN 0.652 nan 8.280 nan 0.000 0.529 90 A N 3.073 125.895 122.820 0.004 0.000 2.608 90 A HA 0.828 5.148 4.320 -0.000 0.000 0.292 90 A C -0.726 176.991 177.584 0.222 0.000 1.066 90 A CA -0.135 52.031 52.037 0.215 0.000 0.676 90 A CB 1.216 20.555 19.000 0.564 0.000 1.277 90 A HN 1.536 nan 8.150 nan 0.000 0.413 91 G N -0.351 108.608 108.800 0.264 0.000 2.405 91 G HA2 0.723 4.683 3.960 -0.000 0.000 0.303 91 G HA3 0.723 4.683 3.960 -0.000 0.000 0.303 91 G C -1.231 173.794 174.900 0.209 0.000 1.644 91 G CA 0.170 45.352 45.100 0.137 0.000 0.899 91 G HN 2.230 nan 8.290 nan 0.000 0.667 92 F N 0.259 120.153 119.950 -0.093 0.000 2.703 92 F HA 0.844 5.371 4.527 -0.000 0.000 0.308 92 F C 0.510 176.261 175.800 -0.082 0.000 1.126 92 F CA -0.027 57.920 58.000 -0.088 0.000 0.959 92 F CB 1.108 40.032 39.000 -0.128 0.000 1.297 92 F HN 1.527 nan 8.300 nan 0.000 0.441 93 S N 0.497 116.183 115.700 -0.023 0.000 4.110 93 S HA -0.226 4.244 4.470 -0.000 0.000 0.573 93 S C 0.440 174.923 174.600 -0.195 0.000 1.936 93 S CA 2.199 60.341 58.200 -0.096 0.000 4.227 93 S CB -1.851 61.304 63.200 -0.076 0.000 0.327 93 S HN 1.959 nan 8.310 nan 0.000 0.532 94 T N -0.313 114.083 114.554 -0.263 0.000 2.912 94 T HA 0.816 5.166 4.350 -0.000 0.000 0.280 94 T C 1.232 175.754 174.700 -0.296 0.000 0.989 94 T CA 0.231 62.204 62.100 -0.211 0.000 0.995 94 T CB 1.385 70.160 68.868 -0.154 0.000 1.077 94 T HN 1.217 nan 8.240 nan 0.000 0.531 95 A N 1.094 123.796 122.820 -0.197 0.000 1.883 95 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 95 A C 2.344 179.774 177.584 -0.256 0.000 1.186 95 A CA 1.733 53.642 52.037 -0.214 0.000 0.624 95 A CB -0.971 17.963 19.000 -0.111 0.000 0.822 95 A HN 0.935 nan 8.150 nan 0.000 0.444 96 K N -0.472 119.812 120.400 -0.193 0.000 2.032 96 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 96 K C 2.045 178.508 176.600 -0.228 0.000 1.048 96 K CA 1.871 58.052 56.287 -0.177 0.000 0.927 96 K CB -0.190 32.241 32.500 -0.116 0.000 0.712 96 K HN 0.641 nan 8.250 nan 0.000 0.441 97 E N -0.048 119.971 120.200 -0.302 0.000 2.106 97 E HA -0.116 4.233 4.350 -0.000 0.000 0.192 97 E C 2.091 178.357 176.600 -0.557 0.000 0.984 97 E CA 0.991 57.167 56.400 -0.373 0.000 0.806 97 E CB 0.084 29.472 29.700 -0.520 0.000 0.750 97 E HN 0.131 nan 8.360 nan 0.000 0.458 98 S N 0.829 116.067 115.700 -0.770 0.000 2.359 98 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 98 S C 1.775 175.833 174.600 -0.903 0.000 1.035 98 S CA 1.126 58.854 58.200 -0.786 0.000 1.018 98 S CB -0.334 62.434 63.200 -0.719 0.000 0.876 98 S HN 0.344 nan 8.310 nan 0.000 0.448 99 N N 1.426 119.716 118.700 -0.683 0.000 2.244 99 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 99 N C 1.746 177.126 175.510 -0.217 0.000 1.016 99 N CA 1.209 53.960 53.050 -0.499 0.000 0.866 99 N CB -0.214 38.091 38.487 -0.303 0.000 0.980 99 N HN 0.362 nan 8.380 nan 0.000 0.430 100 A N 0.700 123.437 122.820 -0.137 0.000 1.873 100 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 100 A C 2.023 179.666 177.584 0.098 0.000 1.186 100 A CA 0.764 52.798 52.037 -0.005 0.000 0.616 100 A CB -1.111 17.899 19.000 0.017 0.000 0.823 100 A HN 0.367 nan 8.150 nan 0.000 0.442 101 F N 0.167 120.102 119.950 -0.025 0.000 2.091 101 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 101 F C 2.203 178.100 175.800 0.161 0.000 1.103 101 F CA 1.600 59.661 58.000 0.101 0.000 1.228 101 F CB -0.698 38.457 39.000 0.258 0.000 0.984 101 F HN 0.358 nan 8.300 nan 0.000 0.477 102 Y N 0.473 120.743 120.300 -0.051 0.000 2.081 102 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 102 Y C 2.716 178.555 175.900 -0.101 0.000 1.163 102 Y CA 1.587 59.610 58.100 -0.129 0.000 1.135 102 Y CB -1.575 36.838 38.460 -0.078 0.000 0.970 102 Y HN 0.078 nan 8.280 nan 0.000 0.498 103 R N -0.101 120.469 120.500 0.115 0.000 2.096 103 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 103 R C 2.391 178.707 176.300 0.027 0.000 1.127 103 R CA 1.368 57.505 56.100 0.062 0.000 0.968 103 R CB -0.279 30.052 30.300 0.051 0.000 0.861 103 R HN 0.354 nan 8.270 nan 0.000 0.440 104 R N 0.320 120.833 120.500 0.021 0.000 2.081 104 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 104 R C 1.971 178.244 176.300 -0.046 0.000 1.131 104 R CA 1.343 57.448 56.100 0.009 0.000 0.960 104 R CB -0.295 30.035 30.300 0.051 0.000 0.856 104 R HN 0.255 nan 8.270 nan 0.000 0.436 105 N N 1.036 119.655 118.700 -0.136 0.000 2.069 105 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 105 N C 1.943 177.402 175.510 -0.085 0.000 1.031 105 N CA 1.279 54.228 53.050 -0.167 0.000 0.852 105 N CB -0.340 37.965 38.487 -0.304 0.000 1.018 105 N HN 0.182 nan 8.380 nan 0.000 0.423 106 L N 0.831 122.024 121.223 -0.050 0.000 2.046 106 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 106 L C 2.477 179.334 176.870 -0.022 0.000 1.077 106 L CA 1.283 56.105 54.840 -0.029 0.000 0.747 106 L CB -0.621 41.437 42.059 -0.002 0.000 0.896 106 L HN 0.096 nan 8.230 nan 0.000 0.432 107 A N 0.121 122.934 122.820 -0.012 0.000 1.978 107 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 107 A C 2.279 179.856 177.584 -0.012 0.000 1.170 107 A CA 1.748 53.781 52.037 -0.007 0.000 0.636 107 A CB -0.634 18.368 19.000 0.004 0.000 0.810 107 A HN 0.408 nan 8.150 nan 0.000 0.448 108 A N -2.113 120.697 122.820 -0.018 0.000 2.302 108 A HA 0.451 4.770 4.320 -0.000 0.000 0.219 108 A C 1.534 179.103 177.584 -0.026 0.000 1.243 108 A CA 1.084 53.111 52.037 -0.017 0.000 0.856 108 A CB -0.771 18.220 19.000 -0.016 0.000 0.893 108 A HN 1.805 nan 8.150 nan 0.000 0.491 109 G N -1.281 107.498 108.800 -0.035 0.000 2.192 109 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.193 109 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.193 109 G C 0.174 175.040 174.900 -0.056 0.000 0.999 109 G CA 0.115 45.188 45.100 -0.046 0.000 0.659 109 G HN 0.717 nan 8.290 nan 0.000 0.503 110 Q N 0.259 120.027 119.800 -0.054 0.000 2.332 110 Q HA 0.538 4.878 4.340 -0.000 0.000 0.263 110 Q C 1.373 177.338 176.000 -0.059 0.000 0.979 110 Q CA 0.331 56.100 55.803 -0.055 0.000 0.885 110 Q CB 0.941 29.640 28.738 -0.064 0.000 1.218 110 Q HN 0.198 nan 8.270 nan 0.000 0.405 111 K N 2.570 122.932 120.400 -0.063 0.000 2.190 111 K HA 0.248 4.568 4.320 -0.000 0.000 0.202 111 K C -0.017 176.551 176.600 -0.053 0.000 1.045 111 K CA 1.238 57.484 56.287 -0.069 0.000 0.976 111 K CB 0.236 32.676 32.500 -0.100 0.000 0.849 111 K HN 0.622 nan 8.250 nan 0.000 0.468 112 G N 0.517 109.287 108.800 -0.050 0.000 2.482 112 G HA2 0.542 4.502 3.960 -0.000 0.000 0.317 112 G HA3 0.542 4.502 3.960 -0.000 0.000 0.317 112 G C -1.306 173.549 174.900 -0.074 0.000 1.241 112 G CA -0.738 44.329 45.100 -0.054 0.000 0.967 112 G HN 0.118 nan 8.290 nan 0.000 0.482 113 L N 0.598 121.770 121.223 -0.085 0.000 2.379 113 L HA 0.678 5.018 4.340 -0.000 0.000 0.269 113 L C 0.464 177.237 176.870 -0.161 0.000 1.084 113 L CA -0.588 54.151 54.840 -0.168 0.000 0.802 113 L CB 1.912 43.883 42.059 -0.147 0.000 1.175 113 L HN 0.523 nan 8.230 nan 0.000 0.448 114 S N 1.200 116.766 115.700 -0.222 0.000 2.720 114 S HA 0.467 4.937 4.470 -0.000 0.000 0.278 114 S C -1.032 173.517 174.600 -0.085 0.000 1.172 114 S CA -0.590 57.554 58.200 -0.094 0.000 1.019 114 S CB 1.319 64.506 63.200 -0.021 0.000 1.049 114 S HN 0.221 nan 8.310 nan 0.000 0.483 115 V N 4.311 124.193 119.914 -0.054 0.000 2.406 115 V HA 0.720 4.839 4.120 -0.000 0.000 0.272 115 V C 0.629 176.560 176.094 -0.272 0.000 1.043 115 V CA -0.472 61.706 62.300 -0.203 0.000 0.915 115 V CB 0.856 32.461 31.823 -0.363 0.000 0.988 115 V HN 0.993 nan 8.190 nan 0.000 0.466 116 A N 5.828 128.384 122.820 -0.440 0.000 2.260 116 A HA 0.844 5.164 4.320 -0.000 0.000 0.314 116 A C -0.828 176.584 177.584 -0.286 0.000 1.257 116 A CA -0.294 51.469 52.037 -0.457 0.000 0.871 116 A CB 0.197 18.686 19.000 -0.851 0.000 1.166 116 A HN 0.608 nan 8.150 nan 0.000 0.522 117 F N 1.301 121.350 119.950 0.164 0.000 2.470 117 F HA 0.397 4.924 4.527 -0.000 0.000 0.329 117 F C 0.780 176.714 175.800 0.223 0.000 1.072 117 F CA -0.743 57.325 58.000 0.113 0.000 0.989 117 F CB 1.270 40.230 39.000 -0.066 0.000 1.193 117 F HN 0.729 nan 8.300 nan 0.000 0.481 118 D N 0.719 121.324 120.400 0.343 0.000 2.363 118 D HA 0.012 4.652 4.640 -0.000 0.000 0.240 118 D C 0.888 177.389 176.300 0.336 0.000 1.236 118 D CA -0.111 54.047 54.000 0.263 0.000 0.927 118 D CB 0.517 41.418 40.800 0.167 0.000 1.150 118 D HN 0.505 nan 8.370 nan 0.000 0.458 119 L N -0.344 121.018 121.223 0.230 0.000 2.156 119 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 119 L C -0.684 176.287 176.870 0.168 0.000 1.095 119 L CA 0.648 55.607 54.840 0.198 0.000 0.770 119 L CB -1.425 40.705 42.059 0.118 0.000 0.914 119 L HN 0.351 nan 8.230 nan 0.000 0.439 120 P HA -0.143 nan 4.420 nan 0.000 0.215 120 P C 1.612 178.982 177.300 0.116 0.000 1.157 120 P CA 1.536 64.735 63.100 0.166 0.000 0.868 120 P CB -0.154 31.621 31.700 0.124 0.000 0.788 121 T N -1.314 113.281 114.554 0.067 0.000 2.684 121 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 121 T C 1.695 176.298 174.700 -0.162 0.000 1.036 121 T CA 1.292 63.359 62.100 -0.055 0.000 1.148 121 T CB -1.066 67.764 68.868 -0.062 0.000 0.863 121 T HN 0.264 nan 8.240 nan 0.000 0.436 122 H N 1.316 120.349 119.070 -0.062 0.000 2.319 122 H HA 0.035 4.591 4.556 -0.000 0.000 0.299 122 H C 2.027 177.241 175.328 -0.190 0.000 1.092 122 H CA 1.175 57.156 56.048 -0.111 0.000 1.302 122 H CB 0.015 29.741 29.762 -0.059 0.000 1.373 122 H HN 0.249 nan 8.280 nan 0.000 0.497 123 R N 0.264 120.721 120.500 -0.071 0.000 2.363 123 R HA 0.078 4.418 4.340 -0.000 0.000 0.236 123 R C 0.684 176.684 176.300 -0.500 0.000 0.966 123 R CA 0.462 56.395 56.100 -0.278 0.000 1.100 123 R CB 0.343 30.500 30.300 -0.239 0.000 1.125 123 R HN 0.401 nan 8.270 nan 0.000 0.514 124 G N 1.039 109.612 108.800 -0.377 0.000 2.212 124 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.255 124 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.255 124 G C -0.613 174.030 174.900 -0.427 0.000 1.062 124 G CA -0.110 44.760 45.100 -0.383 0.000 0.815 124 G HN 0.301 nan 8.290 nan 0.000 0.497 125 Y N 0.139 120.392 120.300 -0.078 0.000 2.429 125 Y HA 0.552 5.102 4.550 -0.000 0.000 0.342 125 Y C 0.524 176.400 175.900 -0.041 0.000 1.004 125 Y CA -1.335 56.731 58.100 -0.057 0.000 1.075 125 Y CB 1.373 39.798 38.460 -0.059 0.000 1.214 125 Y HN 0.084 nan 8.280 nan 0.000 0.455 126 D N 0.003 120.486 120.400 0.139 0.000 2.383 126 D HA 0.133 4.773 4.640 -0.000 0.000 0.248 126 D C 0.599 176.941 176.300 0.071 0.000 1.170 126 D CA 0.036 54.078 54.000 0.070 0.000 0.977 126 D CB 1.286 42.111 40.800 0.041 0.000 1.120 126 D HN 0.561 nan 8.370 nan 0.000 0.481 127 S N -0.099 115.629 115.700 0.047 0.000 2.522 127 S HA -0.118 4.351 4.470 -0.000 0.000 0.227 127 S C 0.903 175.516 174.600 0.022 0.000 0.986 127 S CA 0.381 58.602 58.200 0.037 0.000 0.929 127 S CB -0.105 63.115 63.200 0.034 0.000 0.769 127 S HN 0.503 nan 8.310 nan 0.000 0.529 128 D N 0.462 120.874 120.400 0.021 0.000 2.360 128 D HA 0.022 4.662 4.640 -0.000 0.000 0.210 128 D C 0.289 176.593 176.300 0.007 0.000 1.047 128 D CA -0.205 53.802 54.000 0.012 0.000 0.854 128 D CB -0.625 40.184 40.800 0.014 0.000 0.936 128 D HN 0.081 nan 8.370 nan 0.000 0.514 129 N N 2.171 120.878 118.700 0.011 0.000 2.440 129 N HA -0.008 4.732 4.740 -0.000 0.000 0.265 129 N C -1.305 174.180 175.510 -0.041 0.000 1.239 129 N CA -0.978 52.068 53.050 -0.007 0.000 0.909 129 N CB 1.448 39.940 38.487 0.009 0.000 1.066 129 N HN -0.040 nan 8.380 nan 0.000 0.474 130 P HA -0.127 nan 4.420 nan 0.000 0.218 130 P C 0.761 178.020 177.300 -0.067 0.000 1.149 130 P CA 1.226 64.301 63.100 -0.042 0.000 0.817 130 P CB 0.316 31.998 31.700 -0.029 0.000 0.785 131 R N 0.194 120.629 120.500 -0.109 0.000 2.152 131 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 131 R C 1.663 177.855 176.300 -0.180 0.000 1.117 131 R CA 1.448 57.457 56.100 -0.151 0.000 0.981 131 R CB -0.592 29.574 30.300 -0.224 0.000 0.870 131 R HN 0.246 nan 8.270 nan 0.000 0.451 132 V N -3.885 115.916 119.914 -0.188 0.000 3.085 132 V HA 0.455 4.575 4.120 -0.000 0.000 0.345 132 V C 1.432 177.490 176.094 -0.060 0.000 1.397 132 V CA 0.225 62.438 62.300 -0.146 0.000 1.165 132 V CB 0.532 32.243 31.823 -0.188 0.000 1.153 132 V HN 0.103 nan 8.190 nan 0.000 0.495 133 A N 1.868 124.659 122.820 -0.048 0.000 1.908 133 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 133 A C 2.249 179.828 177.584 -0.010 0.000 1.181 133 A CA 2.204 54.227 52.037 -0.022 0.000 0.627 133 A CB -1.164 17.824 19.000 -0.020 0.000 0.818 133 A HN 0.866 nan 8.150 nan 0.000 0.445 134 G N -0.821 107.973 108.800 -0.010 0.000 2.471 134 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 134 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 134 G C 0.826 175.734 174.900 0.014 0.000 1.125 134 G CA 1.030 46.129 45.100 -0.002 0.000 0.775 134 G HN 0.544 nan 8.290 nan 0.000 0.548 135 D N 0.234 120.648 120.400 0.023 0.000 2.340 135 D HA 0.090 4.730 4.640 -0.000 0.000 0.217 135 D C 0.397 176.729 176.300 0.054 0.000 1.081 135 D CA -0.041 53.988 54.000 0.049 0.000 0.842 135 D CB 0.993 41.830 40.800 0.061 0.000 0.934 135 D HN 0.039 nan 8.370 nan 0.000 0.511 136 V N 1.075 121.012 119.914 0.038 0.000 2.421 136 V HA 0.279 4.399 4.120 -0.000 0.000 0.271 136 V C 1.516 177.638 176.094 0.046 0.000 1.031 136 V CA 0.551 62.876 62.300 0.042 0.000 1.032 136 V CB 0.420 32.259 31.823 0.027 0.000 1.009 136 V HN 0.450 nan 8.190 nan 0.000 0.477 137 G N 5.109 113.946 108.800 0.062 0.000 2.155 137 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 137 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 137 G C 0.633 175.581 174.900 0.080 0.000 0.983 137 G CA 0.448 45.583 45.100 0.059 0.000 0.676 137 G HN 0.474 nan 8.290 nan 0.000 0.528 138 M N -0.388 119.263 119.600 0.086 0.000 2.287 138 M HA 0.344 4.824 4.480 -0.000 0.000 0.266 138 M C 2.639 179.007 176.300 0.112 0.000 1.079 138 M CA 1.776 57.130 55.300 0.091 0.000 1.146 138 M CB -0.940 31.709 32.600 0.081 0.000 1.374 138 M HN 0.709 nan 8.290 nan 0.000 0.435 139 A N -0.802 122.095 122.820 0.129 0.000 2.252 139 A HA 0.564 4.884 4.320 -0.000 0.000 0.213 139 A C 1.144 178.808 177.584 0.133 0.000 1.188 139 A CA 0.826 52.949 52.037 0.143 0.000 0.863 139 A CB 0.039 19.136 19.000 0.162 0.000 0.893 139 A HN 0.482 nan 8.150 nan 0.000 0.495 140 G N -1.685 107.194 108.800 0.131 0.000 2.348 140 G HA2 0.394 4.354 3.960 -0.000 0.000 0.296 140 G HA3 0.394 4.354 3.960 -0.000 0.000 0.296 140 G C -1.139 173.806 174.900 0.076 0.000 1.258 140 G CA 0.159 45.318 45.100 0.097 0.000 0.868 140 G HN 0.630 nan 8.290 nan 0.000 0.488 141 V N 1.037 120.960 119.914 0.015 0.000 2.555 141 V HA 0.564 4.684 4.120 -0.000 0.000 0.286 141 V C 0.927 177.078 176.094 0.095 0.000 1.044 141 V CA 0.295 62.579 62.300 -0.026 0.000 1.026 141 V CB 0.664 32.409 31.823 -0.130 0.000 0.981 141 V HN 1.728 nan 8.190 nan 0.000 0.480 142 A N 8.751 131.601 122.820 0.050 0.000 2.444 142 A HA 0.515 4.835 4.320 -0.000 0.000 0.287 142 A C -0.282 177.360 177.584 0.096 0.000 1.195 142 A CA -0.204 51.881 52.037 0.080 0.000 0.858 142 A CB -0.448 18.575 19.000 0.039 0.000 1.117 142 A HN 0.653 nan 8.150 nan 0.000 0.521 143 I N 3.035 123.687 120.570 0.137 0.000 2.406 143 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 143 I C -0.202 175.948 176.117 0.054 0.000 0.999 143 I CA -0.271 61.103 61.300 0.123 0.000 1.124 143 I CB 1.593 39.707 38.000 0.190 0.000 1.289 143 I HN 0.673 nan 8.210 nan 0.000 0.441 144 D N 2.685 123.112 120.400 0.045 0.000 2.531 144 D HA 0.078 4.718 4.640 -0.000 0.000 0.263 144 D C 0.779 177.072 176.300 -0.011 0.000 1.057 144 D CA 0.680 54.688 54.000 0.014 0.000 0.909 144 D CB 1.232 42.042 40.800 0.018 0.000 1.236 144 D HN 0.584 nan 8.370 nan 0.000 0.494 145 S N -0.669 115.030 115.700 -0.001 0.000 2.790 145 S HA 0.245 4.714 4.470 -0.000 0.000 0.292 145 S C 0.706 175.311 174.600 0.008 0.000 1.197 145 S CA -0.597 57.575 58.200 -0.047 0.000 0.851 145 S CB 1.139 64.244 63.200 -0.159 0.000 1.217 145 S HN -0.148 nan 8.310 nan 0.000 0.526 146 I N 1.012 121.572 120.570 -0.016 0.000 2.264 146 I HA -0.065 4.105 4.170 -0.000 0.000 0.248 146 I C 1.852 178.081 176.117 0.187 0.000 1.111 146 I CA 1.659 62.993 61.300 0.057 0.000 1.382 146 I CB -0.916 37.097 38.000 0.022 0.000 1.060 146 I HN 0.693 nan 8.210 nan 0.000 0.418 147 Y N 1.512 121.826 120.300 0.022 0.000 2.069 147 Y HA -0.316 4.234 4.550 -0.000 0.000 0.278 147 Y C 2.574 178.489 175.900 0.026 0.000 1.175 147 Y CA 1.767 59.878 58.100 0.019 0.000 1.134 147 Y CB -1.485 36.981 38.460 0.010 0.000 0.965 147 Y HN 0.370 nan 8.280 nan 0.000 0.498 148 D N -1.004 119.521 120.400 0.210 0.000 2.144 148 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 148 D C 2.214 178.596 176.300 0.136 0.000 0.978 148 D CA 1.098 55.175 54.000 0.128 0.000 0.833 148 D CB -0.140 40.726 40.800 0.110 0.000 0.961 148 D HN 0.271 nan 8.370 nan 0.000 0.470 149 M N 0.711 120.421 119.600 0.183 0.000 2.175 149 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 149 M C 2.210 178.673 176.300 0.272 0.000 1.063 149 M CA 0.936 56.395 55.300 0.266 0.000 1.119 149 M CB -0.699 32.062 32.600 0.268 0.000 1.377 149 M HN -0.026 nan 8.290 nan 0.000 0.415 150 R N 0.111 120.721 120.500 0.183 0.000 2.083 150 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 150 R C 2.026 178.390 176.300 0.106 0.000 1.137 150 R CA 1.541 57.725 56.100 0.141 0.000 0.951 150 R CB -0.253 30.111 30.300 0.107 0.000 0.851 150 R HN 0.506 nan 8.270 nan 0.000 0.434 151 E N 0.265 120.501 120.200 0.060 0.000 2.152 151 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 151 E C 1.853 178.419 176.600 -0.056 0.000 0.983 151 E CA 0.438 56.837 56.400 -0.002 0.000 0.818 151 E CB 0.007 29.689 29.700 -0.030 0.000 0.758 151 E HN 0.063 nan 8.360 nan 0.000 0.467 152 L N -0.189 120.986 121.223 -0.080 0.000 2.012 152 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 152 L C 1.240 177.843 176.870 -0.445 0.000 1.073 152 L CA 1.806 56.471 54.840 -0.292 0.000 0.748 152 L CB -0.164 41.689 42.059 -0.343 0.000 0.891 152 L HN 0.067 nan 8.230 nan 0.000 0.431 153 F N -0.222 119.792 119.950 0.108 0.000 2.639 153 F HA 0.452 4.979 4.527 -0.000 0.000 0.300 153 F C 1.154 176.991 175.800 0.063 0.000 1.109 153 F CA -0.230 57.839 58.000 0.114 0.000 1.335 153 F CB -0.913 38.155 39.000 0.113 0.000 1.014 153 F HN -0.008 nan 8.300 nan 0.000 0.537 154 A N 0.387 123.276 122.820 0.116 0.000 2.522 154 A HA 0.410 4.730 4.320 -0.000 0.000 0.256 154 A C 1.534 179.162 177.584 0.073 0.000 1.086 154 A CA 0.798 52.879 52.037 0.073 0.000 0.763 154 A CB -0.796 18.216 19.000 0.020 0.000 1.024 154 A HN 0.986 nan 8.150 nan 0.000 0.502 155 G N 1.570 110.416 108.800 0.076 0.000 2.143 155 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.249 155 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.249 155 G C -0.036 174.921 174.900 0.095 0.000 0.981 155 G CA 0.456 45.597 45.100 0.068 0.000 0.665 155 G HN 0.957 nan 8.290 nan 0.000 0.528 156 I N 1.565 122.222 120.570 0.146 0.000 2.537 156 I HA 0.308 4.477 4.170 -0.000 0.000 0.276 156 I C -2.342 173.871 176.117 0.159 0.000 1.063 156 I CA -2.331 59.081 61.300 0.187 0.000 1.144 156 I CB 2.033 40.223 38.000 0.317 0.000 1.252 156 I HN -0.197 nan 8.210 nan 0.000 0.480 157 P HA 0.063 nan 4.420 nan 0.000 0.260 157 P C 0.684 178.014 177.300 0.051 0.000 1.207 157 P CA 0.227 63.361 63.100 0.056 0.000 0.780 157 P CB 0.439 32.164 31.700 0.042 0.000 0.789 158 L N 2.291 123.519 121.223 0.009 0.000 2.554 158 L HA -0.028 4.312 4.340 -0.000 0.000 0.226 158 L C 1.542 178.430 176.870 0.030 0.000 1.137 158 L CA 0.707 55.541 54.840 -0.010 0.000 0.863 158 L CB -0.453 41.497 42.059 -0.181 0.000 0.985 158 L HN 0.365 nan 8.230 nan 0.000 0.451 159 D N -0.980 119.435 120.400 0.025 0.000 2.346 159 D HA -0.132 4.508 4.640 -0.000 0.000 0.206 159 D C 1.650 177.975 176.300 0.041 0.000 1.001 159 D CA 0.497 54.518 54.000 0.036 0.000 0.871 159 D CB 0.106 40.918 40.800 0.019 0.000 0.943 159 D HN 0.359 nan 8.370 nan 0.000 0.518 160 Q N -1.035 118.789 119.800 0.040 0.000 2.378 160 Q HA 0.212 4.552 4.340 -0.000 0.000 0.216 160 Q C 0.457 176.480 176.000 0.038 0.000 0.892 160 Q CA 0.111 55.934 55.803 0.034 0.000 0.931 160 Q CB 0.978 29.733 28.738 0.028 0.000 1.086 160 Q HN 0.180 nan 8.270 nan 0.000 0.528 161 M N 0.164 119.799 119.600 0.058 0.000 2.578 161 M HA 0.304 4.784 4.480 -0.000 0.000 0.321 161 M C -0.425 175.918 176.300 0.070 0.000 1.182 161 M CA -0.407 54.930 55.300 0.062 0.000 0.965 161 M CB 2.035 34.691 32.600 0.094 0.000 1.694 161 M HN -0.186 nan 8.290 nan 0.000 0.461 162 S N 2.060 117.778 115.700 0.031 0.000 2.474 162 S HA 0.665 5.135 4.470 -0.000 0.000 0.321 162 S C -1.211 173.368 174.600 -0.034 0.000 1.080 162 S CA -0.548 57.643 58.200 -0.014 0.000 1.106 162 S CB 0.459 63.627 63.200 -0.054 0.000 0.984 162 S HN 0.450 nan 8.310 nan 0.000 0.464 163 V N 4.402 124.288 119.914 -0.047 0.000 2.444 163 V HA 0.586 4.706 4.120 -0.000 0.000 0.294 163 V C 0.237 176.207 176.094 -0.206 0.000 1.022 163 V CA -0.746 61.529 62.300 -0.041 0.000 0.850 163 V CB 1.514 33.391 31.823 0.090 0.000 0.992 163 V HN 0.894 nan 8.190 nan 0.000 0.426 164 S N 5.765 121.358 115.700 -0.178 0.000 2.565 164 S HA 0.823 5.293 4.470 -0.000 0.000 0.290 164 S C -0.639 173.924 174.600 -0.062 0.000 1.150 164 S CA -0.593 57.470 58.200 -0.227 0.000 1.058 164 S CB 1.002 64.022 63.200 -0.301 0.000 1.032 164 S HN 0.674 nan 8.310 nan 0.000 0.510 165 M N 3.230 122.839 119.600 0.014 0.000 2.165 165 M HA 0.226 4.706 4.480 -0.000 0.000 0.283 165 M C -0.995 175.462 176.300 0.262 0.000 0.978 165 M CA -0.329 55.107 55.300 0.226 0.000 0.948 165 M CB 2.299 35.084 32.600 0.309 0.000 1.599 165 M HN 0.547 nan 8.290 nan 0.000 0.450 166 T N 4.409 119.192 114.554 0.380 0.000 2.863 166 T HA 0.528 4.878 4.350 -0.000 0.000 0.299 166 T C -0.651 174.316 174.700 0.446 0.000 0.973 166 T CA -0.062 62.255 62.100 0.361 0.000 0.994 166 T CB -0.218 68.919 68.868 0.448 0.000 0.961 166 T HN 0.538 nan 8.240 nan 0.000 0.552 167 M N 3.912 123.644 119.600 0.220 0.000 2.294 167 M HA 0.418 4.898 4.480 -0.000 0.000 0.280 167 M C -0.731 175.580 176.300 0.018 0.000 1.085 167 M CA -0.398 54.917 55.300 0.025 0.000 0.969 167 M CB 1.281 33.742 32.600 -0.232 0.000 1.770 167 M HN 0.201 nan 8.290 nan 0.000 0.485 168 N N 2.037 120.757 118.700 0.034 0.000 2.677 168 N HA 0.206 4.946 4.740 -0.000 0.000 0.242 168 N C 1.079 176.565 175.510 -0.041 0.000 1.044 168 N CA 0.833 53.875 53.050 -0.013 0.000 0.934 168 N CB 0.242 38.714 38.487 -0.025 0.000 1.595 168 N HN 0.793 nan 8.380 nan 0.000 0.459 169 G N 1.405 110.174 108.800 -0.052 0.000 2.464 169 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.214 169 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.214 169 G C 1.005 175.852 174.900 -0.089 0.000 1.218 169 G CA 0.983 46.018 45.100 -0.108 0.000 0.794 169 G HN 0.369 nan 8.290 nan 0.000 0.542 170 A N 0.197 122.933 122.820 -0.140 0.000 2.543 170 A HA 0.517 4.837 4.320 -0.000 0.000 0.258 170 A C 1.817 179.315 177.584 -0.142 0.000 1.391 170 A CA 0.321 52.273 52.037 -0.141 0.000 1.066 170 A CB -0.240 18.633 19.000 -0.213 0.000 0.972 170 A HN 0.361 nan 8.150 nan 0.000 0.560 171 V N -0.373 119.485 119.914 -0.094 0.000 2.358 171 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 171 V C 2.196 178.232 176.094 -0.096 0.000 1.047 171 V CA 2.204 64.445 62.300 -0.098 0.000 1.035 171 V CB -0.416 31.368 31.823 -0.065 0.000 0.658 171 V HN 0.720 nan 8.190 nan 0.000 0.452 172 L N 0.834 122.016 121.223 -0.068 0.000 1.970 172 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 172 L C 0.262 177.069 176.870 -0.105 0.000 1.071 172 L CA 2.325 57.111 54.840 -0.089 0.000 0.751 172 L CB -2.031 39.989 42.059 -0.065 0.000 0.889 172 L HN 0.333 nan 8.230 nan 0.000 0.432 173 P HA -0.179 nan 4.420 nan 0.000 0.216 173 P C 1.852 179.089 177.300 -0.104 0.000 1.153 173 P CA 1.531 64.575 63.100 -0.094 0.000 0.848 173 P CB -0.072 31.576 31.700 -0.087 0.000 0.787 174 I N -0.638 119.843 120.570 -0.148 0.000 2.142 174 I HA -0.187 3.983 4.170 -0.000 0.000 0.240 174 I C 2.498 178.582 176.117 -0.055 0.000 1.078 174 I CA 1.129 62.336 61.300 -0.157 0.000 1.343 174 I CB -1.687 36.089 38.000 -0.374 0.000 1.046 174 I HN -0.046 nan 8.210 nan 0.000 0.405 175 L N 1.439 122.613 121.223 -0.081 0.000 2.046 175 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 175 L C 2.543 179.350 176.870 -0.106 0.000 1.077 175 L CA 2.198 56.984 54.840 -0.091 0.000 0.747 175 L CB -0.947 41.030 42.059 -0.136 0.000 0.896 175 L HN 0.198 nan 8.230 nan 0.000 0.432 176 A N -0.701 122.042 122.820 -0.128 0.000 1.898 176 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 176 A C 2.264 179.803 177.584 -0.074 0.000 1.181 176 A CA 1.805 53.760 52.037 -0.136 0.000 0.620 176 A CB -0.844 18.073 19.000 -0.138 0.000 0.819 176 A HN 0.496 nan 8.150 nan 0.000 0.442 177 L N -2.136 119.069 121.223 -0.030 0.000 2.083 177 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 177 L C 2.564 179.468 176.870 0.057 0.000 1.083 177 L CA 1.737 56.586 54.840 0.014 0.000 0.752 177 L CB -0.609 41.474 42.059 0.041 0.000 0.899 177 L HN 0.592 nan 8.230 nan 0.000 0.433 178 Y N 0.253 120.526 120.300 -0.045 0.000 2.145 178 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 178 Y C 2.419 178.222 175.900 -0.162 0.000 1.145 178 Y CA 1.646 59.689 58.100 -0.094 0.000 1.148 178 Y CB -0.262 38.122 38.460 -0.127 0.000 0.981 178 Y HN -0.161 nan 8.280 nan 0.000 0.507 179 V N -0.912 118.931 119.914 -0.118 0.000 2.332 179 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 179 V C 2.333 178.329 176.094 -0.164 0.000 1.055 179 V CA 1.791 63.985 62.300 -0.176 0.000 1.038 179 V CB -0.971 30.774 31.823 -0.130 0.000 0.651 179 V HN 0.348 nan 8.190 nan 0.000 0.450 180 V N -0.199 119.645 119.914 -0.117 0.000 2.295 180 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 180 V C 2.573 178.610 176.094 -0.095 0.000 1.049 180 V CA 2.618 64.868 62.300 -0.083 0.000 1.024 180 V CB -1.041 30.751 31.823 -0.053 0.000 0.648 180 V HN 0.616 nan 8.190 nan 0.000 0.447 181 T N 0.586 115.070 114.554 -0.118 0.000 2.684 181 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 181 T C 2.079 176.665 174.700 -0.190 0.000 1.036 181 T CA 1.835 63.864 62.100 -0.118 0.000 1.148 181 T CB -0.539 68.258 68.868 -0.118 0.000 0.863 181 T HN 0.580 nan 8.240 nan 0.000 0.436 182 A N 1.258 123.875 122.820 -0.337 0.000 1.883 182 A HA -0.200 4.119 4.320 -0.000 0.000 0.217 182 A C 2.214 179.707 177.584 -0.153 0.000 1.186 182 A CA 2.124 53.986 52.037 -0.292 0.000 0.624 182 A CB -0.755 18.012 19.000 -0.387 0.000 0.822 182 A HN 0.633 nan 8.150 nan 0.000 0.444 183 E N -0.172 119.957 120.200 -0.118 0.000 2.085 183 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 183 E C 1.817 178.388 176.600 -0.049 0.000 0.994 183 E CA 1.464 57.823 56.400 -0.067 0.000 0.801 183 E CB -0.157 29.511 29.700 -0.054 0.000 0.743 183 E HN 0.760 nan 8.360 nan 0.000 0.453 184 E N -0.119 120.053 120.200 -0.045 0.000 2.338 184 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 184 E C 1.895 178.482 176.600 -0.022 0.000 1.007 184 E CA 0.521 56.906 56.400 -0.025 0.000 0.849 184 E CB 0.052 29.744 29.700 -0.012 0.000 0.774 184 E HN 0.379 nan 8.360 nan 0.000 0.506 185 Q N -0.755 119.023 119.800 -0.036 0.000 2.424 185 Q HA 0.043 4.383 4.340 -0.000 0.000 0.204 185 Q C 0.895 176.880 176.000 -0.025 0.000 0.933 185 Q CA 0.501 56.287 55.803 -0.028 0.000 0.929 185 Q CB 0.881 29.592 28.738 -0.044 0.000 1.037 185 Q HN 0.390 nan 8.270 nan 0.000 0.511 186 G N 0.570 109.352 108.800 -0.029 0.000 2.131 186 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.223 186 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.223 186 G C -0.144 174.741 174.900 -0.024 0.000 0.990 186 G CA -0.048 45.039 45.100 -0.021 0.000 0.671 186 G HN 0.169 nan 8.290 nan 0.000 0.521 187 V N 0.765 120.655 119.914 -0.039 0.000 2.328 187 V HA 0.755 4.875 4.120 -0.000 0.000 0.278 187 V C 0.925 176.997 176.094 -0.037 0.000 1.021 187 V CA -0.124 62.154 62.300 -0.037 0.000 0.838 187 V CB 0.746 32.535 31.823 -0.056 0.000 0.999 187 V HN 0.805 nan 8.190 nan 0.000 0.447 188 K N 6.266 126.656 120.400 -0.017 0.000 2.234 188 K HA 0.299 4.619 4.320 -0.000 0.000 0.251 188 K C -1.716 174.880 176.600 -0.007 0.000 1.011 188 K CA -0.658 55.622 56.287 -0.012 0.000 0.889 188 K CB -0.770 31.728 32.500 -0.003 0.000 1.011 188 K HN 0.554 nan 8.250 nan 0.000 0.505 189 P HA -0.184 nan 4.420 nan 0.000 0.218 189 P C 0.971 178.294 177.300 0.038 0.000 1.149 189 P CA 1.316 64.426 63.100 0.016 0.000 0.817 189 P CB 0.312 32.041 31.700 0.048 0.000 0.785 190 E N 0.456 120.673 120.200 0.029 0.000 2.418 190 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 190 E C 1.290 177.928 176.600 0.064 0.000 1.026 190 E CA 0.930 57.356 56.400 0.043 0.000 0.862 190 E CB -0.696 29.016 29.700 0.020 0.000 0.799 190 E HN 0.403 nan 8.360 nan 0.000 0.518 191 Q N 0.537 120.373 119.800 0.061 0.000 2.360 191 Q HA 0.252 4.591 4.340 -0.000 0.000 0.202 191 Q C 0.408 176.475 176.000 0.111 0.000 0.915 191 Q CA -0.051 55.793 55.803 0.067 0.000 0.943 191 Q CB 0.440 29.203 28.738 0.040 0.000 1.064 191 Q HN 0.246 nan 8.270 nan 0.000 0.511 192 L N 1.693 123.014 121.223 0.163 0.000 2.315 192 L HA 0.360 4.700 4.340 -0.000 0.000 0.283 192 L C -0.166 176.965 176.870 0.434 0.000 1.089 192 L CA -0.705 54.313 54.840 0.297 0.000 0.833 192 L CB 0.656 42.880 42.059 0.276 0.000 1.170 192 L HN 0.018 nan 8.230 nan 0.000 0.442 193 A N 3.136 126.150 122.820 0.325 0.000 2.317 193 A HA 0.930 5.250 4.320 -0.000 0.000 0.327 193 A C 0.275 177.852 177.584 -0.012 0.000 1.178 193 A CA 0.267 52.398 52.037 0.156 0.000 0.817 193 A CB 1.473 20.506 19.000 0.056 0.000 1.189 193 A HN 0.856 nan 8.150 nan 0.000 0.489 194 G N -0.080 108.438 108.800 -0.470 0.000 2.350 194 G HA2 0.505 4.465 3.960 -0.000 0.000 0.276 194 G HA3 0.505 4.465 3.960 -0.000 0.000 0.276 194 G C -0.871 173.045 174.900 -1.640 0.000 1.313 194 G CA 0.074 44.587 45.100 -0.978 0.000 0.903 194 G HN 1.238 nan 8.290 nan 0.000 0.490 195 T N -0.126 113.518 114.554 -1.516 0.000 2.956 195 T HA 0.573 4.923 4.350 -0.000 0.000 0.312 195 T C -1.402 173.078 174.700 -0.367 0.000 1.151 195 T CA -0.264 61.265 62.100 -0.953 0.000 1.024 195 T CB 2.065 70.626 68.868 -0.512 0.000 1.140 195 T HN 1.063 nan 8.240 nan 0.000 0.473 196 I N 2.360 122.912 120.570 -0.031 0.000 2.406 196 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 196 I C 1.295 177.430 176.117 0.029 0.000 0.999 196 I CA -0.615 60.779 61.300 0.157 0.000 1.124 196 I CB 1.813 40.035 38.000 0.369 0.000 1.289 196 I HN 0.805 nan 8.210 nan 0.000 0.441 197 Q N 5.445 125.259 119.800 0.023 0.000 1.975 197 Q HA -0.226 4.114 4.340 -0.000 0.000 0.205 197 Q C 0.800 176.778 176.000 -0.038 0.000 0.990 197 Q CA 2.139 57.940 55.803 -0.003 0.000 0.845 197 Q CB -0.137 28.635 28.738 0.057 0.000 0.913 197 Q HN 0.831 nan 8.270 nan 0.000 0.420 198 N N 0.574 119.252 118.700 -0.036 0.000 2.747 198 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 198 N C -1.578 173.833 175.510 -0.164 0.000 1.107 198 N CA 0.462 53.454 53.050 -0.096 0.000 0.707 198 N CB -0.675 37.755 38.487 -0.095 0.000 1.054 198 N HN 0.347 nan 8.380 nan 0.000 0.555 199 D N 0.933 121.272 120.400 -0.102 0.000 2.462 199 D HA 0.216 4.856 4.640 -0.000 0.000 0.249 199 D C 0.636 176.949 176.300 0.022 0.000 1.117 199 D CA -0.560 53.405 54.000 -0.058 0.000 0.900 199 D CB 0.562 41.356 40.800 -0.010 0.000 1.039 199 D HN 0.275 nan 8.370 nan 0.000 0.516 200 I N 3.285 123.902 120.570 0.079 0.000 2.876 200 I HA -0.010 4.160 4.170 -0.000 0.000 0.264 200 I C 1.950 178.095 176.117 0.047 0.000 1.204 200 I CA 0.586 61.886 61.300 -0.000 0.000 1.485 200 I CB 0.212 38.234 38.000 0.038 0.000 1.103 200 I HN 0.450 nan 8.210 nan 0.000 0.446 201 L N 0.439 121.796 121.223 0.223 0.000 2.083 201 L HA -0.222 4.117 4.340 -0.000 0.000 0.209 201 L C 2.324 179.266 176.870 0.120 0.000 1.083 201 L CA 1.675 56.635 54.840 0.199 0.000 0.752 201 L CB -0.818 41.279 42.059 0.064 0.000 0.899 201 L HN 0.286 nan 8.230 nan 0.000 0.433 202 K N -0.811 119.632 120.400 0.071 0.000 2.296 202 K HA -0.063 4.257 4.320 -0.000 0.000 0.200 202 K C 1.686 178.264 176.600 -0.036 0.000 1.048 202 K CA 0.679 56.983 56.287 0.029 0.000 0.966 202 K CB -0.169 32.351 32.500 0.032 0.000 0.754 202 K HN 0.111 nan 8.250 nan 0.000 0.466 203 E N 0.722 120.849 120.200 -0.121 0.000 2.072 203 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 203 E C 1.750 178.294 176.600 -0.093 0.000 0.985 203 E CA 1.123 57.421 56.400 -0.171 0.000 0.801 203 E CB -0.325 29.204 29.700 -0.285 0.000 0.750 203 E HN 0.377 nan 8.360 nan 0.000 0.452 204 F N 0.687 120.684 119.950 0.079 0.000 2.134 204 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 204 F C 2.565 178.377 175.800 0.020 0.000 1.097 204 F CA 0.943 58.924 58.000 -0.031 0.000 1.264 204 F CB -0.563 38.297 39.000 -0.234 0.000 1.001 204 F HN -0.011 nan 8.300 nan 0.000 0.479 205 M N -0.007 119.687 119.600 0.158 0.000 2.077 205 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 205 M C 1.654 178.001 176.300 0.079 0.000 1.070 205 M CA 2.269 57.618 55.300 0.082 0.000 1.125 205 M CB 0.056 32.674 32.600 0.030 0.000 1.339 205 M HN 0.127 nan 8.290 nan 0.000 0.409 206 V N -5.689 114.262 119.914 0.063 0.000 3.309 206 V HA 0.258 4.378 4.120 -0.000 0.000 0.268 206 V C 1.613 177.722 176.094 0.024 0.000 1.631 206 V CA -0.305 62.023 62.300 0.047 0.000 1.018 206 V CB -0.137 31.709 31.823 0.039 0.000 0.841 206 V HN 0.309 nan 8.190 nan 0.000 0.418 207 R N 1.129 121.624 120.500 -0.009 0.000 2.223 207 R HA 0.138 4.478 4.340 -0.000 0.000 0.198 207 R C 0.495 176.742 176.300 -0.087 0.000 0.984 207 R CA 0.876 56.930 56.100 -0.076 0.000 1.018 207 R CB -0.143 30.038 30.300 -0.199 0.000 0.945 207 R HN 0.692 nan 8.270 nan 0.000 0.479 208 N N 0.547 119.230 118.700 -0.028 0.000 2.747 208 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 208 N C -0.062 175.269 175.510 -0.298 0.000 1.107 208 N CA 1.530 54.535 53.050 -0.074 0.000 0.707 208 N CB -1.777 36.719 38.487 0.015 0.000 1.054 208 N HN 0.460 nan 8.380 nan 0.000 0.555 209 T N -3.435 110.900 114.554 -0.366 0.000 3.296 209 T HA 0.250 4.600 4.350 -0.000 0.000 0.285 209 T C 0.601 175.064 174.700 -0.396 0.000 1.014 209 T CA -0.718 61.169 62.100 -0.355 0.000 0.920 209 T CB -0.379 68.358 68.868 -0.219 0.000 1.143 209 T HN 0.281 nan 8.240 nan 0.000 0.522 210 Y N -0.104 120.056 120.300 -0.233 0.000 2.385 210 Y HA 0.612 5.162 4.550 -0.000 0.000 0.346 210 Y C 0.963 176.715 175.900 -0.246 0.000 1.270 210 Y CA -1.451 56.441 58.100 -0.346 0.000 1.472 210 Y CB 0.304 38.368 38.460 -0.660 0.000 1.354 210 Y HN -0.009 nan 8.280 nan 0.000 0.611 211 I N -1.448 119.045 120.570 -0.129 0.000 3.674 211 I HA 0.090 4.260 4.170 -0.000 0.000 0.248 211 I C -0.303 175.686 176.117 -0.212 0.000 1.134 211 I CA -0.526 60.532 61.300 -0.404 0.000 1.519 211 I CB 0.049 37.455 38.000 -0.990 0.000 1.598 211 I HN 0.440 nan 8.210 nan 0.000 0.442 212 Y N 1.976 122.398 120.300 0.204 0.000 2.316 212 Y HA 0.352 4.902 4.550 -0.000 0.000 0.324 212 Y C -2.242 173.787 175.900 0.216 0.000 1.267 212 Y CA -3.175 55.042 58.100 0.196 0.000 1.311 212 Y CB -0.951 37.563 38.460 0.090 0.000 1.267 212 Y HN -0.094 nan 8.280 nan 0.000 0.516 213 P HA 0.012 nan 4.420 nan 0.000 0.270 213 P C -2.001 175.222 177.300 -0.128 0.000 1.227 213 P CA -0.842 62.281 63.100 0.039 0.000 0.788 213 P CB 0.199 31.955 31.700 0.093 0.000 0.926 214 P HA -0.285 nan 4.420 nan 0.000 0.214 214 P C 1.635 178.790 177.300 -0.242 0.000 1.169 214 P CA 1.673 64.444 63.100 -0.547 0.000 0.908 214 P CB -0.268 30.946 31.700 -0.811 0.000 0.791 215 Q N -0.362 119.304 119.800 -0.223 0.000 2.014 215 Q HA -0.160 4.180 4.340 -0.000 0.000 0.207 215 Q C -0.726 175.134 176.000 -0.234 0.000 0.993 215 Q CA 3.050 58.743 55.803 -0.185 0.000 0.850 215 Q CB -2.183 26.466 28.738 -0.150 0.000 0.916 215 Q HN 0.204 nan 8.270 nan 0.000 0.417 216 P HA -0.016 nan 4.420 nan 0.000 0.219 216 P C 1.473 178.473 177.300 -0.500 0.000 1.150 216 P CA 1.205 63.879 63.100 -0.711 0.000 0.814 216 P CB -0.156 30.684 31.700 -1.433 0.000 0.787 217 S N -0.247 115.337 115.700 -0.194 0.000 2.359 217 S HA -0.164 4.305 4.470 -0.000 0.000 0.224 217 S C 1.960 176.534 174.600 -0.043 0.000 1.035 217 S CA 1.610 59.804 58.200 -0.009 0.000 1.018 217 S CB -0.857 62.461 63.200 0.197 0.000 0.876 217 S HN 0.081 nan 8.310 nan 0.000 0.448 218 M N 1.622 121.195 119.600 -0.044 0.000 2.159 218 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 218 M C 1.948 178.193 176.300 -0.092 0.000 1.063 218 M CA 1.430 56.714 55.300 -0.028 0.000 1.110 218 M CB -0.289 32.299 32.600 -0.020 0.000 1.374 218 M HN 0.168 nan 8.290 nan 0.000 0.411 219 R N -0.186 120.224 120.500 -0.150 0.000 2.075 219 R HA -0.109 4.230 4.340 -0.000 0.000 0.232 219 R C 2.035 178.242 176.300 -0.156 0.000 1.126 219 R CA 1.796 57.804 56.100 -0.153 0.000 0.963 219 R CB -0.499 29.687 30.300 -0.190 0.000 0.858 219 R HN 0.459 nan 8.270 nan 0.000 0.435 220 I N 1.033 121.500 120.570 -0.171 0.000 2.208 220 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 220 I C 1.954 177.953 176.117 -0.196 0.000 1.097 220 I CA 0.831 62.051 61.300 -0.134 0.000 1.363 220 I CB -0.207 37.740 38.000 -0.089 0.000 1.051 220 I HN 0.208 nan 8.210 nan 0.000 0.413 221 I N 0.777 121.196 120.570 -0.252 0.000 2.127 221 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 221 I C 2.897 178.579 176.117 -0.725 0.000 1.075 221 I CA 2.132 63.136 61.300 -0.494 0.000 1.334 221 I CB -1.784 35.939 38.000 -0.462 0.000 1.040 221 I HN 0.346 nan 8.210 nan 0.000 0.405 222 S N 0.625 116.062 115.700 -0.438 0.000 2.400 222 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 222 S C 1.731 176.230 174.600 -0.168 0.000 1.025 222 S CA 1.185 59.223 58.200 -0.270 0.000 0.993 222 S CB -0.623 62.519 63.200 -0.097 0.000 0.808 222 S HN 0.542 nan 8.310 nan 0.000 0.478 223 E N 0.794 120.909 120.200 -0.140 0.000 2.208 223 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 223 E C 1.973 178.555 176.600 -0.031 0.000 0.988 223 E CA 1.050 57.412 56.400 -0.063 0.000 0.828 223 E CB -0.273 29.393 29.700 -0.056 0.000 0.763 223 E HN 0.619 nan 8.360 nan 0.000 0.478 224 I N 0.485 120.987 120.570 -0.113 0.000 2.353 224 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 224 I C 1.900 178.091 176.117 0.123 0.000 1.119 224 I CA 0.596 61.878 61.300 -0.029 0.000 1.417 224 I CB -0.139 37.794 38.000 -0.112 0.000 1.078 224 I HN 0.001 nan 8.210 nan 0.000 0.421 225 F N 1.340 121.289 119.950 -0.001 0.000 2.069 225 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 225 F C 2.701 178.481 175.800 -0.035 0.000 1.113 225 F CA 1.199 59.176 58.000 -0.038 0.000 1.214 225 F CB -1.580 37.283 39.000 -0.228 0.000 0.978 225 F HN 0.039 nan 8.300 nan 0.000 0.474 226 A N -1.123 121.773 122.820 0.128 0.000 1.902 226 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 226 A C 2.192 179.841 177.584 0.108 0.000 1.181 226 A CA 1.559 53.641 52.037 0.076 0.000 0.623 226 A CB -1.516 17.509 19.000 0.041 0.000 0.818 226 A HN 0.459 nan 8.150 nan 0.000 0.443 227 Y N 1.583 121.899 120.300 0.027 0.000 2.133 227 Y HA -0.222 4.328 4.550 -0.000 0.000 0.287 227 Y C 2.954 178.878 175.900 0.040 0.000 1.134 227 Y CA 2.697 60.808 58.100 0.017 0.000 1.133 227 Y CB -0.518 37.936 38.460 -0.011 0.000 0.987 227 Y HN 0.440 nan 8.280 nan 0.000 0.502 228 T N -3.185 111.538 114.554 0.282 0.000 2.951 228 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 228 T C 2.151 176.932 174.700 0.135 0.000 1.073 228 T CA 1.192 63.423 62.100 0.217 0.000 1.134 228 T CB -0.794 68.263 68.868 0.315 0.000 0.884 228 T HN 0.320 nan 8.240 nan 0.000 0.479 229 S N 1.172 116.950 115.700 0.131 0.000 2.382 229 S HA 0.077 4.547 4.470 -0.000 0.000 0.228 229 S C 2.342 176.959 174.600 0.028 0.000 1.027 229 S CA 1.149 59.410 58.200 0.102 0.000 0.991 229 S CB -0.779 62.499 63.200 0.129 0.000 0.823 229 S HN 0.751 nan 8.310 nan 0.000 0.469 230 A N 1.426 124.221 122.820 -0.042 0.000 1.903 230 A HA 0.127 4.447 4.320 -0.000 0.000 0.213 230 A C 1.955 179.454 177.584 -0.142 0.000 1.185 230 A CA 1.066 53.048 52.037 -0.090 0.000 0.628 230 A CB -0.284 18.643 19.000 -0.123 0.000 0.830 230 A HN 0.637 nan 8.150 nan 0.000 0.446 231 N N -1.489 117.059 118.700 -0.254 0.000 2.348 231 N HA 0.211 4.951 4.740 -0.000 0.000 0.183 231 N C -0.193 175.256 175.510 -0.102 0.000 1.094 231 N CA 0.411 53.300 53.050 -0.268 0.000 0.885 231 N CB 0.510 38.612 38.487 -0.641 0.000 1.065 231 N HN 0.377 nan 8.380 nan 0.000 0.472 232 M N 1.799 121.395 119.600 -0.008 0.000 1.986 232 M HA 0.265 4.745 4.480 -0.000 0.000 0.247 232 M C -2.071 174.325 176.300 0.160 0.000 0.851 232 M CA -1.451 53.911 55.300 0.104 0.000 0.785 232 M CB 2.599 35.285 32.600 0.142 0.000 1.554 232 M HN -0.204 nan 8.290 nan 0.000 0.361 233 P HA -0.057 nan 4.420 nan 0.000 0.229 233 P C 0.488 177.861 177.300 0.121 0.000 1.160 233 P CA 1.060 64.224 63.100 0.108 0.000 0.777 233 P CB 0.230 31.971 31.700 0.069 0.000 0.814 234 K N -2.164 118.327 120.400 0.152 0.000 2.367 234 K HA 0.048 4.368 4.320 -0.000 0.000 0.194 234 K C 0.560 177.258 176.600 0.163 0.000 1.027 234 K CA -0.192 56.175 56.287 0.134 0.000 1.075 234 K CB 0.181 32.759 32.500 0.129 0.000 0.845 234 K HN 0.181 nan 8.250 nan 0.000 0.529 235 W N 3.337 124.665 121.300 0.046 0.000 2.335 235 W HA 0.167 4.827 4.660 -0.000 0.000 0.306 235 W C -0.766 175.778 176.519 0.041 0.000 1.216 235 W CA -0.372 56.999 57.345 0.043 0.000 1.237 235 W CB 0.524 30.024 29.460 0.065 0.000 1.243 235 W HN -0.009 nan 8.180 nan 0.000 0.493 236 N N 3.320 121.773 118.700 -0.412 0.000 2.430 236 N HA -0.054 4.686 4.740 -0.000 0.000 0.265 236 N C 1.066 176.501 175.510 -0.125 0.000 1.100 236 N CA 0.304 53.218 53.050 -0.226 0.000 0.961 236 N CB 1.518 39.834 38.487 -0.284 0.000 1.075 236 N HN 0.383 nan 8.380 nan 0.000 0.478 237 S N 1.819 117.589 115.700 0.117 0.000 2.528 237 S HA 0.167 4.637 4.470 -0.000 0.000 0.219 237 S C 0.734 175.467 174.600 0.221 0.000 0.985 237 S CA 0.038 58.424 58.200 0.310 0.000 0.914 237 S CB 0.314 63.799 63.200 0.476 0.000 0.776 237 S HN 0.653 nan 8.310 nan 0.000 0.526 238 I N -0.141 120.474 120.570 0.074 0.000 2.842 238 I HA 0.432 4.602 4.170 -0.000 0.000 0.297 238 I C -1.713 174.304 176.117 -0.168 0.000 1.380 238 I CA -0.519 60.753 61.300 -0.047 0.000 1.018 238 I CB 2.071 40.042 38.000 -0.049 0.000 1.311 238 I HN 0.014 nan 8.210 nan 0.000 0.439 239 S N 7.513 123.108 115.700 -0.174 0.000 2.406 239 S HA 0.528 4.998 4.470 -0.000 0.000 0.224 239 S C -0.469 174.025 174.600 -0.176 0.000 1.426 239 S CA -0.597 57.497 58.200 -0.177 0.000 1.179 239 S CB -0.053 63.079 63.200 -0.114 0.000 1.042 239 S HN 0.423 nan 8.310 nan 0.000 0.479 240 I N 4.129 124.447 120.570 -0.420 0.000 2.574 240 I HA 0.068 4.238 4.170 -0.000 0.000 0.291 240 I C 0.410 176.359 176.117 -0.281 0.000 1.131 240 I CA 0.329 61.362 61.300 -0.444 0.000 1.352 240 I CB 0.192 37.630 38.000 -0.937 0.000 1.431 240 I HN 0.428 nan 8.210 nan 0.000 0.543 241 S N 4.278 119.949 115.700 -0.048 0.000 2.489 241 S HA 0.491 4.961 4.470 -0.000 0.000 0.291 241 S C 0.957 175.581 174.600 0.040 0.000 1.151 241 S CA -0.585 57.628 58.200 0.022 0.000 1.082 241 S CB 1.871 65.214 63.200 0.238 0.000 1.019 241 S HN 0.809 nan 8.310 nan 0.000 0.492 242 G N 0.438 109.223 108.800 -0.025 0.000 2.781 242 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.208 242 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.208 242 G C 0.948 175.845 174.900 -0.005 0.000 1.099 242 G CA -0.135 45.048 45.100 0.137 0.000 0.776 242 G HN 0.692 nan 8.290 nan 0.000 0.532 243 Y N 2.216 122.241 120.300 -0.459 0.000 2.081 243 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 243 Y C 2.716 178.301 175.900 -0.525 0.000 1.163 243 Y CA 2.599 60.282 58.100 -0.694 0.000 1.135 243 Y CB -0.461 37.085 38.460 -1.522 0.000 0.970 243 Y HN 0.386 nan 8.280 nan 0.000 0.498 244 H N -0.693 118.171 119.070 -0.344 0.000 2.387 244 H HA -0.169 4.387 4.556 -0.000 0.000 0.299 244 H C 2.197 177.388 175.328 -0.229 0.000 1.099 244 H CA 2.008 57.877 56.048 -0.298 0.000 1.315 244 H CB -0.540 29.164 29.762 -0.097 0.000 1.380 244 H HN 0.397 nan 8.280 nan 0.000 0.513 245 M N 0.192 119.773 119.600 -0.033 0.000 2.108 245 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 245 M C 2.429 178.656 176.300 -0.121 0.000 1.066 245 M CA 1.889 57.174 55.300 -0.025 0.000 1.107 245 M CB -0.230 32.408 32.600 0.063 0.000 1.356 245 M HN 0.363 nan 8.290 nan 0.000 0.406 246 Q N 0.489 120.179 119.800 -0.183 0.000 2.137 246 Q HA -0.141 4.198 4.340 -0.000 0.000 0.198 246 Q C 1.707 177.526 176.000 -0.302 0.000 0.960 246 Q CA 0.971 56.646 55.803 -0.213 0.000 0.847 246 Q CB 0.171 28.814 28.738 -0.159 0.000 0.915 246 Q HN 0.386 nan 8.270 nan 0.000 0.448 247 E N 0.405 120.373 120.200 -0.387 0.000 2.204 247 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 247 E C 1.695 178.135 176.600 -0.266 0.000 0.990 247 E CA 1.125 57.333 56.400 -0.321 0.000 0.821 247 E CB -0.095 29.373 29.700 -0.386 0.000 0.750 247 E HN 0.507 nan 8.360 nan 0.000 0.477 248 A N -0.086 122.605 122.820 -0.215 0.000 2.072 248 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 248 A C 1.701 179.146 177.584 -0.232 0.000 1.156 248 A CA 1.307 53.248 52.037 -0.161 0.000 0.701 248 A CB 0.218 19.172 19.000 -0.077 0.000 0.816 248 A HN 0.309 nan 8.150 nan 0.000 0.458 249 G N -2.510 106.116 108.800 -0.290 0.000 2.407 249 G HA2 0.331 4.291 3.960 -0.000 0.000 0.210 249 G HA3 0.331 4.291 3.960 -0.000 0.000 0.210 249 G C 0.188 174.943 174.900 -0.241 0.000 1.015 249 G CA 0.008 44.899 45.100 -0.348 0.000 0.807 249 G HN 1.168 nan 8.290 nan 0.000 0.539 250 A N 1.020 123.729 122.820 -0.185 0.000 2.425 250 A HA 0.709 5.029 4.320 -0.000 0.000 0.249 250 A C 1.094 178.579 177.584 -0.165 0.000 1.084 250 A CA 0.931 52.875 52.037 -0.155 0.000 0.781 250 A CB 0.157 19.085 19.000 -0.120 0.000 1.019 250 A HN 1.547 nan 8.150 nan 0.000 0.490 251 T N -0.599 113.858 114.554 -0.161 0.000 2.828 251 T HA 0.482 4.832 4.350 -0.000 0.000 0.290 251 T C 1.368 175.984 174.700 -0.141 0.000 1.019 251 T CA -0.069 61.946 62.100 -0.141 0.000 1.031 251 T CB 1.130 69.922 68.868 -0.127 0.000 1.001 251 T HN 1.201 nan 8.240 nan 0.000 0.531 252 A N 1.391 124.131 122.820 -0.133 0.000 1.940 252 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 252 A C 2.104 179.598 177.584 -0.149 0.000 1.176 252 A CA 1.800 53.746 52.037 -0.152 0.000 0.631 252 A CB -0.970 17.928 19.000 -0.169 0.000 0.814 252 A HN 1.006 nan 8.150 nan 0.000 0.446 253 D N -0.291 120.044 120.400 -0.109 0.000 2.183 253 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 253 D C 1.682 177.970 176.300 -0.020 0.000 0.969 253 D CA 0.859 54.836 54.000 -0.038 0.000 0.842 253 D CB -0.343 40.470 40.800 0.022 0.000 0.957 253 D HN 0.355 nan 8.370 nan 0.000 0.484 254 I N 1.435 121.885 120.570 -0.200 0.000 2.400 254 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 254 I C 2.548 178.415 176.117 -0.418 0.000 1.109 254 I CA 0.548 61.531 61.300 -0.528 0.000 1.425 254 I CB -1.010 36.634 38.000 -0.594 0.000 1.094 254 I HN 0.116 nan 8.210 nan 0.000 0.425 255 E N 0.884 120.975 120.200 -0.180 0.000 2.033 255 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 255 E C 2.375 179.073 176.600 0.162 0.000 1.011 255 E CA 1.725 58.134 56.400 0.015 0.000 0.815 255 E CB -0.050 29.663 29.700 0.022 0.000 0.755 255 E HN 0.298 nan 8.360 nan 0.000 0.451 256 M N 0.175 119.798 119.600 0.038 0.000 2.082 256 M HA -0.236 4.244 4.480 -0.000 0.000 0.258 256 M C 2.499 178.928 176.300 0.214 0.000 1.071 256 M CA 1.934 57.282 55.300 0.081 0.000 1.103 256 M CB -0.348 32.197 32.600 -0.091 0.000 1.307 256 M HN 0.288 nan 8.290 nan 0.000 0.409 257 A N -0.572 122.321 122.820 0.121 0.000 1.902 257 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 257 A C 1.806 179.567 177.584 0.295 0.000 1.181 257 A CA 1.507 53.651 52.037 0.179 0.000 0.623 257 A CB -0.965 18.122 19.000 0.144 0.000 0.818 257 A HN 0.499 nan 8.150 nan 0.000 0.443 258 Y N 0.652 121.026 120.300 0.123 0.000 2.263 258 Y HA -0.081 4.469 4.550 -0.000 0.000 0.292 258 Y C 2.934 178.919 175.900 0.143 0.000 1.130 258 Y CA 1.087 59.246 58.100 0.098 0.000 1.179 258 Y CB -1.512 36.980 38.460 0.054 0.000 0.998 258 Y HN 0.291 nan 8.280 nan 0.000 0.532 259 T N 0.772 115.550 114.554 0.375 0.000 2.708 259 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 259 T C 2.234 177.150 174.700 0.359 0.000 1.037 259 T CA 1.393 63.686 62.100 0.321 0.000 1.146 259 T CB -0.637 68.435 68.868 0.341 0.000 0.865 259 T HN 0.191 nan 8.240 nan 0.000 0.435 260 L N 0.684 122.159 121.223 0.421 0.000 2.056 260 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 260 L C 3.045 180.188 176.870 0.455 0.000 1.078 260 L CA 1.095 56.221 54.840 0.477 0.000 0.749 260 L CB -0.643 41.700 42.059 0.473 0.000 0.901 260 L HN 0.242 nan 8.230 nan 0.000 0.433 261 A N -0.267 122.749 122.820 0.326 0.000 1.930 261 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 261 A C 1.892 179.578 177.584 0.169 0.000 1.175 261 A CA 1.732 53.907 52.037 0.230 0.000 0.627 261 A CB -0.448 18.652 19.000 0.167 0.000 0.815 261 A HN 0.326 nan 8.150 nan 0.000 0.443 262 D N 0.022 120.498 120.400 0.128 0.000 2.104 262 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 262 D C 2.103 178.390 176.300 -0.022 0.000 0.994 262 D CA 1.554 55.531 54.000 -0.038 0.000 0.830 262 D CB -0.821 39.994 40.800 0.025 0.000 0.959 262 D HN 0.416 nan 8.370 nan 0.000 0.452 263 G N 0.794 109.755 108.800 0.268 0.000 2.513 263 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 263 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 263 G C 1.889 177.130 174.900 0.568 0.000 1.160 263 G CA 1.258 46.638 45.100 0.467 0.000 0.767 263 G HN 0.273 nan 8.290 nan 0.000 0.571 264 V N 1.162 121.379 119.914 0.504 0.000 2.287 264 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 264 V C 2.580 178.815 176.094 0.234 0.000 1.053 264 V CA 2.318 64.843 62.300 0.376 0.000 1.027 264 V CB -0.539 31.490 31.823 0.343 0.000 0.646 264 V HN 0.262 nan 8.190 nan 0.000 0.447 265 D N -1.037 119.417 120.400 0.090 0.000 2.117 265 D HA -0.167 4.472 4.640 -0.000 0.000 0.197 265 D C 2.055 178.365 176.300 0.017 0.000 0.987 265 D CA 1.364 55.351 54.000 -0.022 0.000 0.829 265 D CB -0.303 40.383 40.800 -0.189 0.000 0.961 265 D HN 0.539 nan 8.370 nan 0.000 0.460 266 Y N 0.508 120.945 120.300 0.228 0.000 2.274 266 Y HA -0.048 4.502 4.550 -0.000 0.000 0.290 266 Y C 2.325 178.447 175.900 0.369 0.000 1.145 266 Y CA 0.284 58.582 58.100 0.331 0.000 1.203 266 Y CB -0.584 38.111 38.460 0.391 0.000 0.984 266 Y HN 0.053 nan 8.280 nan 0.000 0.533 267 I N -0.445 120.344 120.570 0.365 0.000 2.252 267 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 267 I C 2.400 178.597 176.117 0.134 0.000 1.102 267 I CA 1.228 62.624 61.300 0.160 0.000 1.385 267 I CB -0.338 37.415 38.000 -0.412 0.000 1.064 267 I HN 0.111 nan 8.210 nan 0.000 0.414 268 R N 0.735 121.315 120.500 0.134 0.000 2.081 268 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 268 R C 2.459 178.852 176.300 0.155 0.000 1.131 268 R CA 1.500 57.704 56.100 0.174 0.000 0.960 268 R CB -0.491 29.921 30.300 0.187 0.000 0.856 268 R HN 0.368 nan 8.270 nan 0.000 0.436 269 A N 0.711 123.642 122.820 0.185 0.000 1.908 269 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 269 A C 2.389 180.048 177.584 0.124 0.000 1.181 269 A CA 1.858 53.991 52.037 0.161 0.000 0.627 269 A CB -1.130 18.007 19.000 0.229 0.000 0.818 269 A HN 0.480 nan 8.150 nan 0.000 0.445 270 G N -0.719 108.154 108.800 0.122 0.000 2.408 270 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 270 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 270 G C 1.412 176.183 174.900 -0.216 0.000 1.150 270 G CA 0.885 45.789 45.100 -0.327 0.000 0.776 270 G HN 0.646 nan 8.290 nan 0.000 0.542 271 E N 0.765 120.986 120.200 0.037 0.000 2.153 271 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 271 E C 2.824 179.458 176.600 0.057 0.000 0.988 271 E CA 1.247 57.703 56.400 0.092 0.000 0.811 271 E CB -0.106 29.687 29.700 0.156 0.000 0.746 271 E HN 0.584 nan 8.360 nan 0.000 0.466 272 S N 0.584 116.313 115.700 0.048 0.000 2.474 272 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 272 S C 1.905 176.509 174.600 0.008 0.000 0.997 272 S CA 0.947 59.166 58.200 0.032 0.000 0.949 272 S CB -0.173 63.046 63.200 0.031 0.000 0.766 272 S HN 0.196 nan 8.310 nan 0.000 0.517 273 V N -2.477 117.430 119.914 -0.013 0.000 3.342 273 V HA 0.713 4.833 4.120 -0.000 0.000 0.322 273 V C 1.315 177.401 176.094 -0.013 0.000 1.370 273 V CA 0.027 62.315 62.300 -0.019 0.000 1.170 273 V CB -0.934 30.870 31.823 -0.032 0.000 1.101 273 V HN 0.728 nan 8.190 nan 0.000 0.442 274 G N 0.559 109.359 108.800 0.001 0.000 2.157 274 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.248 274 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.248 274 G C -0.136 174.780 174.900 0.028 0.000 0.979 274 G CA 0.254 45.364 45.100 0.017 0.000 0.650 274 G HN 0.580 nan 8.290 nan 0.000 0.529 275 L N 1.029 122.256 121.223 0.007 0.000 2.371 275 L HA 0.366 4.706 4.340 -0.000 0.000 0.272 275 L C 0.986 177.953 176.870 0.163 0.000 1.124 275 L CA -0.866 54.006 54.840 0.053 0.000 0.816 275 L CB 0.884 42.904 42.059 -0.065 0.000 1.129 275 L HN 0.293 nan 8.230 nan 0.000 0.448 276 N N 1.417 120.222 118.700 0.174 0.000 2.503 276 N HA -0.002 4.738 4.740 -0.000 0.000 0.267 276 N C 0.915 176.565 175.510 0.234 0.000 1.214 276 N CA -0.114 53.038 53.050 0.169 0.000 0.959 276 N CB 1.762 40.314 38.487 0.108 0.000 1.142 276 N HN 0.476 nan 8.380 nan 0.000 0.455 277 V N 2.652 122.642 119.914 0.126 0.000 2.317 277 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 277 V C 1.288 177.243 176.094 -0.232 0.000 1.065 277 V CA 2.130 64.350 62.300 -0.135 0.000 1.049 277 V CB -0.421 31.321 31.823 -0.136 0.000 0.651 277 V HN 0.685 nan 8.190 nan 0.000 0.450 278 D N -0.924 119.438 120.400 -0.065 0.000 2.348 278 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 278 D C 2.064 178.369 176.300 0.009 0.000 0.970 278 D CA 0.839 54.818 54.000 -0.035 0.000 0.889 278 D CB -0.078 40.729 40.800 0.012 0.000 0.912 278 D HN 0.648 nan 8.370 nan 0.000 0.524 279 Q N -0.615 119.237 119.800 0.087 0.000 2.451 279 Q HA 0.002 4.342 4.340 -0.000 0.000 0.206 279 Q C 0.992 177.117 176.000 0.209 0.000 0.947 279 Q CA 0.482 56.370 55.803 0.141 0.000 0.937 279 Q CB 0.160 29.000 28.738 0.171 0.000 1.025 279 Q HN 0.460 nan 8.270 nan 0.000 0.511 280 F N -4.805 115.112 119.950 -0.056 0.000 2.995 280 F HA 0.552 5.079 4.527 -0.000 0.000 0.382 280 F C 1.417 177.127 175.800 -0.150 0.000 1.019 280 F CA -0.014 57.917 58.000 -0.115 0.000 1.078 280 F CB -0.284 38.594 39.000 -0.202 0.000 1.192 280 F HN -0.142 nan 8.300 nan 0.000 0.553 281 A N 1.442 123.811 122.820 -0.753 0.000 1.969 281 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 281 A C -0.508 176.989 177.584 -0.146 0.000 1.169 281 A CA 1.364 53.099 52.037 -0.504 0.000 0.635 281 A CB -1.868 16.858 19.000 -0.457 0.000 0.810 281 A HN 0.338 nan 8.150 nan 0.000 0.445 282 P HA -0.076 nan 4.420 nan 0.000 0.223 282 P C 1.113 178.423 177.300 0.016 0.000 1.151 282 P CA 0.820 63.920 63.100 -0.000 0.000 0.787 282 P CB 0.104 31.813 31.700 0.015 0.000 0.788 283 R N -1.227 119.272 120.500 -0.001 0.000 2.362 283 R HA 0.262 4.602 4.340 -0.000 0.000 0.227 283 R C 0.490 176.780 176.300 -0.018 0.000 0.905 283 R CA -0.239 55.870 56.100 0.014 0.000 1.067 283 R CB -0.458 29.881 30.300 0.065 0.000 1.078 283 R HN 0.297 nan 8.270 nan 0.000 0.516 284 L N 1.483 122.678 121.223 -0.046 0.000 2.397 284 L HA 0.194 4.534 4.340 -0.000 0.000 0.271 284 L C 0.792 177.600 176.870 -0.103 0.000 1.148 284 L CA -0.068 54.716 54.840 -0.094 0.000 0.825 284 L CB 0.916 42.930 42.059 -0.075 0.000 1.117 284 L HN 0.002 nan 8.230 nan 0.000 0.456 285 S N 1.436 117.000 115.700 -0.228 0.000 2.627 285 S HA 0.767 5.237 4.470 -0.000 0.000 0.283 285 S C -0.926 173.415 174.600 -0.432 0.000 1.127 285 S CA -0.774 57.319 58.200 -0.179 0.000 0.863 285 S CB 1.772 64.897 63.200 -0.125 0.000 1.121 285 S HN 0.283 nan 8.310 nan 0.000 0.479 286 F N 0.759 120.543 119.950 -0.278 0.000 2.572 286 F HA 0.828 5.355 4.527 -0.000 0.000 0.342 286 F C -0.488 175.150 175.800 -0.271 0.000 1.064 286 F CA -1.000 56.754 58.000 -0.410 0.000 1.008 286 F CB 1.725 40.310 39.000 -0.691 0.000 1.303 286 F HN 0.646 nan 8.300 nan 0.000 0.492 287 F N 1.570 121.267 119.950 -0.422 0.000 2.787 287 F HA 0.379 4.906 4.527 -0.000 0.000 0.340 287 F C -2.123 173.496 175.800 -0.302 0.000 1.232 287 F CA -1.855 55.997 58.000 -0.246 0.000 1.051 287 F CB 0.531 39.496 39.000 -0.058 0.000 1.330 287 F HN 0.467 nan 8.300 nan 0.000 0.522 288 W N 4.141 125.620 121.300 0.298 0.000 2.578 288 W HA 0.713 5.373 4.660 -0.000 0.000 0.346 288 W C 0.480 177.027 176.519 0.046 0.000 1.075 288 W CA -1.237 56.153 57.345 0.074 0.000 1.233 288 W CB 1.911 31.396 29.460 0.041 0.000 1.358 288 W HN 0.885 nan 8.180 nan 0.000 0.574 289 G N 1.822 110.816 108.800 0.324 0.000 2.412 289 G HA2 0.667 4.627 3.960 -0.000 0.000 0.318 289 G HA3 0.667 4.627 3.960 -0.000 0.000 0.318 289 G C -1.245 173.768 174.900 0.188 0.000 1.146 289 G CA -0.621 44.665 45.100 0.311 0.000 0.882 289 G HN 0.328 nan 8.290 nan 0.000 0.501 290 I N 2.148 122.819 120.570 0.168 0.000 2.542 290 I HA 0.313 4.483 4.170 -0.000 0.000 0.278 290 I C 0.853 177.024 176.117 0.091 0.000 1.069 290 I CA -0.585 60.759 61.300 0.073 0.000 1.100 290 I CB 0.617 38.637 38.000 0.033 0.000 1.204 290 I HN 0.599 nan 8.210 nan 0.000 0.470 291 G N 5.189 114.031 108.800 0.070 0.000 2.574 291 G HA2 0.390 4.350 3.960 -0.000 0.000 0.248 291 G HA3 0.390 4.350 3.960 -0.000 0.000 0.248 291 G C 0.745 175.710 174.900 0.109 0.000 1.422 291 G CA -0.373 44.799 45.100 0.120 0.000 1.051 291 G HN 0.360 nan 8.290 nan 0.000 0.560 292 M N 0.442 120.128 119.600 0.144 0.000 2.595 292 M HA 0.097 4.577 4.480 -0.000 0.000 0.248 292 M C 0.783 177.175 176.300 0.153 0.000 1.119 292 M CA 0.165 55.549 55.300 0.140 0.000 1.079 292 M CB -0.825 31.864 32.600 0.148 0.000 1.472 292 M HN 0.390 nan 8.290 nan 0.000 0.501 293 N N 1.047 119.834 118.700 0.144 0.000 2.719 293 N HA 0.008 4.748 4.740 -0.000 0.000 0.243 293 N C 0.547 176.120 175.510 0.104 0.000 1.104 293 N CA -0.183 52.979 53.050 0.187 0.000 0.981 293 N CB 0.023 38.624 38.487 0.190 0.000 1.290 293 N HN 0.077 nan 8.380 nan 0.000 0.513 294 F N 3.376 123.283 119.950 -0.070 0.000 2.043 294 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 294 F C 1.085 176.641 175.800 -0.406 0.000 1.118 294 F CA 1.872 59.698 58.000 -0.289 0.000 1.202 294 F CB -0.229 38.490 39.000 -0.468 0.000 0.965 294 F HN 0.378 nan 8.300 nan 0.000 0.482 295 F N -0.643 119.317 119.950 0.016 0.000 2.325 295 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 295 F C 2.293 177.847 175.800 -0.411 0.000 1.090 295 F CA 1.251 59.060 58.000 -0.317 0.000 1.392 295 F CB -0.797 38.026 39.000 -0.294 0.000 1.053 295 F HN 0.079 nan 8.300 nan 0.000 0.521 296 M N 0.223 119.763 119.600 -0.100 0.000 2.117 296 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 296 M C 2.078 178.228 176.300 -0.250 0.000 1.065 296 M CA 1.705 56.904 55.300 -0.168 0.000 1.114 296 M CB -0.359 32.188 32.600 -0.089 0.000 1.361 296 M HN -0.088 nan 8.290 nan 0.000 0.408 297 E N -0.643 119.391 120.200 -0.277 0.000 2.072 297 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 297 E C 2.198 178.556 176.600 -0.404 0.000 0.985 297 E CA 1.486 57.693 56.400 -0.323 0.000 0.801 297 E CB -0.780 28.756 29.700 -0.273 0.000 0.750 297 E HN 0.402 nan 8.360 nan 0.000 0.452 298 V N 1.793 121.379 119.914 -0.547 0.000 2.295 298 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 298 V C 2.468 178.354 176.094 -0.347 0.000 1.049 298 V CA 1.934 63.946 62.300 -0.481 0.000 1.024 298 V CB -0.873 30.559 31.823 -0.652 0.000 0.648 298 V HN 0.256 nan 8.190 nan 0.000 0.447 299 A N -0.470 122.157 122.820 -0.322 0.000 1.969 299 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 299 A C 2.325 179.736 177.584 -0.289 0.000 1.169 299 A CA 1.977 53.857 52.037 -0.261 0.000 0.635 299 A CB -0.457 18.394 19.000 -0.248 0.000 0.810 299 A HN 0.541 nan 8.150 nan 0.000 0.445 300 K N -0.643 119.556 120.400 -0.336 0.000 2.032 300 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 300 K C 1.710 177.996 176.600 -0.524 0.000 1.048 300 K CA 1.577 57.609 56.287 -0.425 0.000 0.927 300 K CB -0.300 31.917 32.500 -0.471 0.000 0.712 300 K HN 0.295 nan 8.250 nan 0.000 0.441 301 L N 1.248 122.170 121.223 -0.501 0.000 2.083 301 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 301 L C 2.390 179.110 176.870 -0.249 0.000 1.083 301 L CA 1.651 56.248 54.840 -0.406 0.000 0.752 301 L CB -0.482 41.438 42.059 -0.231 0.000 0.899 301 L HN 0.162 nan 8.230 nan 0.000 0.433 302 R N -1.032 119.326 120.500 -0.236 0.000 2.062 302 R HA -0.020 4.320 4.340 -0.000 0.000 0.229 302 R C 2.320 178.456 176.300 -0.274 0.000 1.128 302 R CA 1.179 57.151 56.100 -0.214 0.000 0.960 302 R CB -0.656 29.520 30.300 -0.206 0.000 0.855 302 R HN 0.338 nan 8.270 nan 0.000 0.432 303 A N 1.478 124.119 122.820 -0.300 0.000 1.933 303 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 303 A C 2.393 179.852 177.584 -0.208 0.000 1.175 303 A CA 1.620 53.477 52.037 -0.301 0.000 0.628 303 A CB -0.684 18.166 19.000 -0.250 0.000 0.814 303 A HN 0.390 nan 8.150 nan 0.000 0.444 304 A N -0.152 122.536 122.820 -0.220 0.000 1.940 304 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 304 A C 2.235 179.813 177.584 -0.009 0.000 1.176 304 A CA 1.580 53.552 52.037 -0.108 0.000 0.631 304 A CB -0.502 18.350 19.000 -0.247 0.000 0.814 304 A HN 0.560 nan 8.150 nan 0.000 0.446 305 R N -1.028 119.451 120.500 -0.034 0.000 2.083 305 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 305 R C 2.301 178.645 176.300 0.074 0.000 1.137 305 R CA 1.939 58.059 56.100 0.033 0.000 0.951 305 R CB -0.437 29.872 30.300 0.016 0.000 0.851 305 R HN 0.585 nan 8.270 nan 0.000 0.434 306 M N 0.400 119.970 119.600 -0.050 0.000 2.132 306 M HA -0.133 4.346 4.480 -0.000 0.000 0.263 306 M C 2.308 178.600 176.300 -0.014 0.000 1.065 306 M CA 1.519 56.772 55.300 -0.080 0.000 1.122 306 M CB -0.296 32.150 32.600 -0.257 0.000 1.365 306 M HN 0.147 nan 8.290 nan 0.000 0.411 307 L N -1.031 120.210 121.223 0.029 0.000 2.046 307 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 307 L C 2.476 179.529 176.870 0.304 0.000 1.077 307 L CA 1.327 56.262 54.840 0.158 0.000 0.747 307 L CB -0.779 41.430 42.059 0.250 0.000 0.896 307 L HN 0.597 nan 8.230 nan 0.000 0.432 308 W N 1.219 122.564 121.300 0.076 0.000 2.363 308 W HA -0.236 4.424 4.660 -0.000 0.000 0.296 308 W C 2.416 179.017 176.519 0.135 0.000 1.212 308 W CA 1.420 58.822 57.345 0.095 0.000 1.260 308 W CB 0.097 29.523 29.460 -0.056 0.000 1.131 308 W HN 0.179 nan 8.180 nan 0.000 0.530 309 A N 0.774 123.683 122.820 0.148 0.000 1.877 309 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 309 A C 1.990 179.581 177.584 0.011 0.000 1.186 309 A CA 2.125 54.202 52.037 0.067 0.000 0.620 309 A CB -1.011 18.082 19.000 0.155 0.000 0.822 309 A HN 0.351 nan 8.150 nan 0.000 0.443 310 K N -0.416 120.003 120.400 0.032 0.000 2.026 310 K HA -0.084 4.235 4.320 -0.000 0.000 0.208 310 K C 1.942 178.630 176.600 0.145 0.000 1.048 310 K CA 1.478 57.795 56.287 0.050 0.000 0.929 310 K CB -0.328 32.126 32.500 -0.077 0.000 0.713 310 K HN 0.468 nan 8.250 nan 0.000 0.439 311 L N 0.431 121.763 121.223 0.181 0.000 2.017 311 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 311 L C 2.342 179.250 176.870 0.064 0.000 1.073 311 L CA 1.003 55.957 54.840 0.189 0.000 0.745 311 L CB -0.344 41.864 42.059 0.249 0.000 0.894 311 L HN 0.060 nan 8.230 nan 0.000 0.432 312 V N -1.175 118.614 119.914 -0.208 0.000 2.515 312 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 312 V C 2.397 178.562 176.094 0.119 0.000 1.058 312 V CA 1.593 63.811 62.300 -0.137 0.000 1.064 312 V CB -0.830 30.683 31.823 -0.517 0.000 0.675 312 V HN 0.464 nan 8.190 nan 0.000 0.461 313 H N 0.946 120.004 119.070 -0.021 0.000 2.390 313 H HA -0.202 4.354 4.556 -0.000 0.000 0.298 313 H C 2.342 177.672 175.328 0.003 0.000 1.106 313 H CA 2.074 58.124 56.048 0.003 0.000 1.297 313 H CB -0.187 29.569 29.762 -0.010 0.000 1.375 313 H HN 0.498 nan 8.280 nan 0.000 0.509 314 Q N -1.133 118.621 119.800 -0.078 0.000 2.197 314 Q HA -0.174 4.165 4.340 -0.000 0.000 0.207 314 Q C 1.562 177.355 176.000 -0.345 0.000 0.984 314 Q CA 1.558 57.211 55.803 -0.252 0.000 0.869 314 Q CB -0.173 28.387 28.738 -0.298 0.000 0.906 314 Q HN 0.495 nan 8.270 nan 0.000 0.426 315 F N -0.498 119.413 119.950 -0.066 0.000 2.802 315 F HA 0.144 4.671 4.527 -0.000 0.000 0.300 315 F C 1.375 177.146 175.800 -0.048 0.000 1.168 315 F CA 0.630 58.602 58.000 -0.045 0.000 1.433 315 F CB 0.042 39.018 39.000 -0.040 0.000 1.115 315 F HN 0.069 nan 8.300 nan 0.000 0.582 316 G N 1.664 110.492 108.800 0.046 0.000 2.324 316 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.292 316 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.292 316 G C -2.328 172.611 174.900 0.067 0.000 1.079 316 G CA -0.615 44.496 45.100 0.019 0.000 1.026 316 G HN 0.187 nan 8.290 nan 0.000 0.506 317 P HA 0.345 nan 4.420 nan 0.000 0.275 317 P C 0.385 177.732 177.300 0.078 0.000 1.228 317 P CA -0.267 62.877 63.100 0.074 0.000 0.786 317 P CB 1.336 33.078 31.700 0.070 0.000 0.927 318 K N 0.489 120.924 120.400 0.059 0.000 2.370 318 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 318 K C 0.570 177.203 176.600 0.056 0.000 1.070 318 K CA 0.372 56.692 56.287 0.056 0.000 0.998 318 K CB -0.186 32.341 32.500 0.045 0.000 0.911 318 K HN 0.394 nan 8.250 nan 0.000 0.533 319 N N 2.153 120.885 118.700 0.053 0.000 2.426 319 N HA 0.126 4.866 4.740 -0.000 0.000 0.275 319 N C -1.985 173.574 175.510 0.081 0.000 1.019 319 N CA -1.969 51.116 53.050 0.059 0.000 0.941 319 N CB 1.746 40.260 38.487 0.045 0.000 1.123 319 N HN -0.173 nan 8.380 nan 0.000 0.486 320 P HA -0.092 nan 4.420 nan 0.000 0.221 320 P C 0.584 178.031 177.300 0.246 0.000 1.150 320 P CA 1.139 64.345 63.100 0.177 0.000 0.800 320 P CB 0.524 32.333 31.700 0.181 0.000 0.787 321 K N -0.025 120.472 120.400 0.162 0.000 2.280 321 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 321 K C 2.227 178.860 176.600 0.055 0.000 1.047 321 K CA 1.143 57.489 56.287 0.099 0.000 0.942 321 K CB -0.361 32.189 32.500 0.084 0.000 0.739 321 K HN 0.105 nan 8.250 nan 0.000 0.457 322 S N 1.281 117.007 115.700 0.043 0.000 2.383 322 S HA -0.103 4.366 4.470 -0.000 0.000 0.229 322 S C 1.727 176.330 174.600 0.006 0.000 1.030 322 S CA 1.276 59.471 58.200 -0.008 0.000 1.002 322 S CB -0.079 63.092 63.200 -0.049 0.000 0.829 322 S HN 0.300 nan 8.310 nan 0.000 0.467 323 M N 1.756 121.389 119.600 0.056 0.000 2.595 323 M HA 0.060 4.540 4.480 -0.000 0.000 0.248 323 M C 0.648 177.005 176.300 0.096 0.000 1.119 323 M CA 0.039 55.375 55.300 0.060 0.000 1.079 323 M CB -0.152 32.569 32.600 0.202 0.000 1.472 323 M HN 0.208 nan 8.290 nan 0.000 0.501 324 S N 1.028 116.646 115.700 -0.136 0.000 2.523 324 S HA 0.377 4.847 4.470 -0.000 0.000 0.275 324 S C -0.436 174.152 174.600 -0.020 0.000 1.281 324 S CA -0.843 57.025 58.200 -0.553 0.000 1.050 324 S CB 1.092 63.765 63.200 -0.878 0.000 0.937 324 S HN 0.404 nan 8.310 nan 0.000 0.492 325 L N 4.404 125.596 121.223 -0.051 0.000 2.268 325 L HA 0.457 4.797 4.340 -0.000 0.000 0.289 325 L C -0.205 176.595 176.870 -0.116 0.000 1.064 325 L CA -0.610 54.174 54.840 -0.093 0.000 0.824 325 L CB 0.285 42.201 42.059 -0.239 0.000 1.202 325 L HN 0.774 nan 8.230 nan 0.000 0.433 326 R N 3.286 123.780 120.500 -0.011 0.000 2.294 326 R HA 0.511 4.851 4.340 -0.000 0.000 0.319 326 R C -0.596 175.740 176.300 0.062 0.000 0.984 326 R CA -0.440 55.657 56.100 -0.005 0.000 0.861 326 R CB 1.919 32.243 30.300 0.040 0.000 1.104 326 R HN 0.453 nan 8.270 nan 0.000 0.451 327 T N 0.905 115.503 114.554 0.074 0.000 2.916 327 T HA 0.216 4.565 4.350 -0.000 0.000 0.305 327 T C -1.470 173.313 174.700 0.139 0.000 1.119 327 T CA -0.712 61.442 62.100 0.090 0.000 1.008 327 T CB 1.040 69.956 68.868 0.079 0.000 1.129 327 T HN 0.653 nan 8.240 nan 0.000 0.480 328 H N 1.168 120.233 119.070 -0.008 0.000 2.495 328 H HA 0.814 5.370 4.556 -0.000 0.000 0.350 328 H C -0.638 174.756 175.328 0.109 0.000 1.202 328 H CA 0.038 56.056 56.048 -0.049 0.000 1.322 328 H CB 1.125 30.691 29.762 -0.326 0.000 1.544 328 H HN 0.504 nan 8.280 nan 0.000 0.565 329 S N 1.585 116.981 115.700 -0.508 0.000 2.546 329 S HA 0.301 4.771 4.470 -0.000 0.000 0.274 329 S C -1.490 172.893 174.600 -0.362 0.000 1.121 329 S CA -0.861 57.258 58.200 -0.135 0.000 0.887 329 S CB 1.990 65.194 63.200 0.007 0.000 1.094 329 S HN 0.695 nan 8.310 nan 0.000 0.474 330 Q N 1.384 121.197 119.800 0.021 0.000 2.347 330 Q HA 0.543 4.883 4.340 -0.000 0.000 0.271 330 Q C -0.589 175.495 176.000 0.139 0.000 1.064 330 Q CA -0.726 55.077 55.803 -0.001 0.000 0.800 330 Q CB 1.572 30.180 28.738 -0.217 0.000 1.304 330 Q HN 0.786 nan 8.270 nan 0.000 0.438 331 T N 0.283 114.930 114.554 0.156 0.000 2.900 331 T HA 0.128 4.477 4.350 -0.000 0.000 0.307 331 T C 0.423 175.299 174.700 0.294 0.000 1.065 331 T CA -0.472 61.735 62.100 0.178 0.000 1.105 331 T CB 1.234 70.174 68.868 0.119 0.000 0.979 331 T HN 0.478 nan 8.240 nan 0.000 0.544 332 S N 1.488 117.344 115.700 0.261 0.000 2.465 332 S HA 0.352 4.822 4.470 -0.000 0.000 0.280 332 S C 1.681 176.449 174.600 0.281 0.000 1.232 332 S CA -0.306 58.078 58.200 0.306 0.000 1.066 332 S CB -0.301 63.055 63.200 0.261 0.000 0.929 332 S HN 0.948 nan 8.310 nan 0.000 0.494 333 G N 4.501 113.502 108.800 0.336 0.000 2.446 333 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 333 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 333 G C 1.036 176.051 174.900 0.192 0.000 1.168 333 G CA 0.743 46.005 45.100 0.270 0.000 0.771 333 G HN 0.896 nan 8.290 nan 0.000 0.551 334 W N 2.502 123.846 121.300 0.073 0.000 2.350 334 W HA -0.190 4.470 4.660 -0.000 0.000 0.289 334 W C 2.855 179.400 176.519 0.043 0.000 1.215 334 W CA 2.415 59.784 57.345 0.041 0.000 1.236 334 W CB -0.108 29.355 29.460 0.006 0.000 1.130 334 W HN 0.282 nan 8.180 nan 0.000 0.541 335 S N -0.034 115.605 115.700 -0.101 0.000 2.481 335 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 335 S C 0.783 175.243 174.600 -0.233 0.000 0.996 335 S CA 0.425 58.475 58.200 -0.249 0.000 0.942 335 S CB -0.755 62.487 63.200 0.070 0.000 0.768 335 S HN 0.164 nan 8.310 nan 0.000 0.520 336 L N 2.520 123.652 121.223 -0.151 0.000 2.375 336 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 336 L C 0.614 177.392 176.870 -0.152 0.000 1.107 336 L CA -0.613 54.164 54.840 -0.106 0.000 0.806 336 L CB 1.277 43.316 42.059 -0.032 0.000 1.146 336 L HN 0.237 nan 8.230 nan 0.000 0.447 337 T N -1.654 112.831 114.554 -0.114 0.000 2.950 337 T HA 0.569 4.919 4.350 -0.000 0.000 0.288 337 T C 0.588 175.249 174.700 -0.064 0.000 1.035 337 T CA -0.282 61.754 62.100 -0.107 0.000 1.028 337 T CB 2.011 70.827 68.868 -0.087 0.000 1.109 337 T HN 0.601 nan 8.240 nan 0.000 0.514 338 A N 0.367 123.158 122.820 -0.049 0.000 2.218 338 A HA 0.291 4.611 4.320 -0.000 0.000 0.209 338 A C 0.729 178.307 177.584 -0.009 0.000 1.168 338 A CA 0.162 52.184 52.037 -0.024 0.000 0.804 338 A CB -0.380 18.615 19.000 -0.009 0.000 0.834 338 A HN 0.759 nan 8.150 nan 0.000 0.482 339 Q N -0.170 119.627 119.800 -0.006 0.000 2.282 339 Q HA 0.445 4.785 4.340 -0.000 0.000 0.260 339 Q C -0.765 175.249 176.000 0.023 0.000 0.964 339 Q CA -0.407 55.404 55.803 0.014 0.000 0.880 339 Q CB 1.402 30.150 28.738 0.017 0.000 1.286 339 Q HN 0.290 nan 8.270 nan 0.000 0.445 340 D N 1.144 121.572 120.400 0.046 0.000 3.038 340 D HA -0.154 4.486 4.640 -0.000 0.000 0.229 340 D C 0.452 176.794 176.300 0.071 0.000 1.182 340 D CA 0.838 54.883 54.000 0.076 0.000 0.852 340 D CB -0.388 40.457 40.800 0.075 0.000 0.932 340 D HN 0.450 nan 8.370 nan 0.000 0.406 341 V N 0.194 120.141 119.914 0.054 0.000 2.626 341 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 341 V C 1.967 177.992 176.094 -0.114 0.000 1.067 341 V CA 1.340 63.610 62.300 -0.050 0.000 1.081 341 V CB -0.938 30.809 31.823 -0.125 0.000 0.686 341 V HN 0.420 nan 8.190 nan 0.000 0.468 342 Y N 1.810 122.131 120.300 0.034 0.000 2.616 342 Y HA 0.073 4.623 4.550 -0.000 0.000 0.296 342 Y C 2.402 178.314 175.900 0.020 0.000 1.154 342 Y CA 0.981 59.102 58.100 0.034 0.000 1.325 342 Y CB -0.788 37.699 38.460 0.044 0.000 1.007 342 Y HN 0.330 nan 8.280 nan 0.000 0.542 343 N N 0.263 119.035 118.700 0.120 0.000 2.289 343 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 343 N C 1.131 176.660 175.510 0.032 0.000 1.016 343 N CA 0.907 53.999 53.050 0.069 0.000 0.872 343 N CB -0.342 38.177 38.487 0.053 0.000 0.973 343 N HN 0.442 nan 8.380 nan 0.000 0.433 344 N N 0.644 119.343 118.700 -0.002 0.000 2.364 344 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 344 N C 1.757 177.258 175.510 -0.015 0.000 1.022 344 N CA 0.318 53.356 53.050 -0.020 0.000 0.883 344 N CB -0.221 38.233 38.487 -0.055 0.000 0.965 344 N HN 0.087 nan 8.380 nan 0.000 0.438 345 V N 0.607 120.516 119.914 -0.008 0.000 2.343 345 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 345 V C 2.404 178.507 176.094 0.015 0.000 1.051 345 V CA 1.135 63.436 62.300 0.001 0.000 1.036 345 V CB -0.455 31.388 31.823 0.033 0.000 0.654 345 V HN 0.056 nan 8.190 nan 0.000 0.451 346 V N 0.001 119.932 119.914 0.028 0.000 2.295 346 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 346 V C 2.578 178.693 176.094 0.035 0.000 1.049 346 V CA 2.072 64.390 62.300 0.029 0.000 1.024 346 V CB -0.811 31.032 31.823 0.032 0.000 0.648 346 V HN 0.477 nan 8.190 nan 0.000 0.447 347 R N -0.180 120.340 120.500 0.033 0.000 2.081 347 R HA -0.135 4.204 4.340 -0.000 0.000 0.235 347 R C 2.388 178.718 176.300 0.051 0.000 1.131 347 R CA 1.942 58.066 56.100 0.041 0.000 0.960 347 R CB -0.779 29.538 30.300 0.028 0.000 0.856 347 R HN 0.469 nan 8.270 nan 0.000 0.436 348 T N 0.282 114.860 114.554 0.041 0.000 2.904 348 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 348 T C 1.991 176.724 174.700 0.054 0.000 1.059 348 T CA 1.108 63.236 62.100 0.047 0.000 1.137 348 T CB -0.363 68.522 68.868 0.028 0.000 0.879 348 T HN 0.395 nan 8.240 nan 0.000 0.467 349 C N 1.658 120.992 119.300 0.056 0.000 2.413 349 C HA -0.071 4.389 4.460 -0.000 0.000 0.276 349 C C 2.500 177.552 174.990 0.103 0.000 1.236 349 C CA 0.332 59.401 59.018 0.085 0.000 1.735 349 C CB -1.384 26.400 27.740 0.073 0.000 2.031 349 C HN 0.432 nan 8.230 nan 0.000 0.474 350 I N 0.945 121.571 120.570 0.093 0.000 2.226 350 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 350 I C 2.489 178.711 176.117 0.175 0.000 1.100 350 I CA 1.651 63.023 61.300 0.121 0.000 1.374 350 I CB -1.799 36.249 38.000 0.079 0.000 1.057 350 I HN 0.534 nan 8.210 nan 0.000 0.413 351 E N 0.964 121.233 120.200 0.114 0.000 2.106 351 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 351 E C 2.348 178.968 176.600 0.035 0.000 0.984 351 E CA 1.279 57.727 56.400 0.080 0.000 0.806 351 E CB -0.109 29.638 29.700 0.078 0.000 0.750 351 E HN 0.484 nan 8.360 nan 0.000 0.458 352 A N 0.881 123.720 122.820 0.033 0.000 1.933 352 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 352 A C 2.114 179.663 177.584 -0.059 0.000 1.175 352 A CA 1.291 53.307 52.037 -0.036 0.000 0.628 352 A CB -0.421 18.581 19.000 0.003 0.000 0.814 352 A HN 0.145 nan 8.150 nan 0.000 0.444 353 M N -0.522 119.124 119.600 0.077 0.000 2.086 353 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 353 M C 2.528 178.912 176.300 0.139 0.000 1.067 353 M CA 1.585 56.993 55.300 0.179 0.000 1.116 353 M CB -0.383 32.412 32.600 0.325 0.000 1.348 353 M HN 0.473 nan 8.290 nan 0.000 0.407 354 A N 0.209 123.031 122.820 0.004 0.000 1.902 354 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 354 A C 2.353 179.758 177.584 -0.298 0.000 1.181 354 A CA 1.942 53.690 52.037 -0.482 0.000 0.623 354 A CB -1.036 17.623 19.000 -0.568 0.000 0.818 354 A HN 0.506 nan 8.150 nan 0.000 0.443 355 A N -0.208 122.504 122.820 -0.180 0.000 1.877 355 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 355 A C 2.447 179.949 177.584 -0.136 0.000 1.186 355 A CA 2.658 54.605 52.037 -0.152 0.000 0.620 355 A CB -1.436 17.466 19.000 -0.164 0.000 0.822 355 A HN 0.763 nan 8.150 nan 0.000 0.443 356 T N -2.337 112.088 114.554 -0.216 0.000 2.904 356 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 356 T C 1.730 176.552 174.700 0.204 0.000 1.059 356 T CA 1.425 63.468 62.100 -0.096 0.000 1.137 356 T CB -0.334 68.182 68.868 -0.588 0.000 0.879 356 T HN 0.600 nan 8.240 nan 0.000 0.467 357 Q N 0.711 120.564 119.800 0.088 0.000 2.432 357 Q HA 0.209 4.549 4.340 -0.000 0.000 0.205 357 Q C 2.249 178.206 176.000 -0.072 0.000 0.945 357 Q CA 0.634 56.499 55.803 0.103 0.000 0.924 357 Q CB -0.034 28.917 28.738 0.355 0.000 1.016 357 Q HN 0.694 nan 8.270 nan 0.000 0.503 358 G N -1.063 107.663 108.800 -0.124 0.000 3.141 358 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.218 358 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.218 358 G C -0.460 174.434 174.900 -0.009 0.000 1.170 358 G CA -0.279 44.735 45.100 -0.144 0.000 0.769 358 G HN 0.518 nan 8.290 nan 0.000 0.546 359 H N -0.191 118.852 119.070 -0.045 0.000 2.827 359 H HA -0.160 4.396 4.556 -0.000 0.000 0.330 359 H C 0.505 175.871 175.328 0.064 0.000 1.236 359 H CA 0.146 56.147 56.048 -0.079 0.000 1.165 359 H CB -1.404 28.236 29.762 -0.203 0.000 1.532 359 H HN 0.308 nan 8.280 nan 0.000 0.434 360 T N -0.141 114.564 114.554 0.251 0.000 2.898 360 T HA 0.055 4.405 4.350 -0.000 0.000 0.301 360 T C 1.373 176.272 174.700 0.332 0.000 1.049 360 T CA -0.099 62.131 62.100 0.217 0.000 1.095 360 T CB 1.127 70.056 68.868 0.102 0.000 0.976 360 T HN 0.408 nan 8.240 nan 0.000 0.539 361 Q N 1.216 121.179 119.800 0.272 0.000 2.302 361 Q HA 0.242 4.582 4.340 -0.000 0.000 0.202 361 Q C 0.544 176.752 176.000 0.348 0.000 0.936 361 Q CA 0.322 56.326 55.803 0.336 0.000 0.886 361 Q CB 0.433 29.321 28.738 0.250 0.000 0.986 361 Q HN 0.721 nan 8.270 nan 0.000 0.487 362 S N -1.159 114.724 115.700 0.304 0.000 2.638 362 S HA 0.781 5.251 4.470 -0.000 0.000 0.274 362 S C -1.454 173.300 174.600 0.257 0.000 1.157 362 S CA -1.024 57.388 58.200 0.353 0.000 0.826 362 S CB 1.766 65.161 63.200 0.324 0.000 1.139 362 S HN 0.061 nan 8.310 nan 0.000 0.474 363 L N 0.832 122.225 121.223 0.284 0.000 2.549 363 L HA 0.637 4.977 4.340 -0.000 0.000 0.259 363 L C -1.710 175.266 176.870 0.176 0.000 0.934 363 L CA -0.162 54.700 54.840 0.037 0.000 0.865 363 L CB 2.006 44.020 42.059 -0.074 0.000 1.352 363 L HN 1.102 nan 8.230 nan 0.000 0.410 364 H N 1.380 120.428 119.070 -0.037 0.000 2.489 364 H HA 0.807 5.363 4.556 -0.000 0.000 0.343 364 H C -1.055 174.291 175.328 0.029 0.000 1.086 364 H CA 0.147 56.227 56.048 0.054 0.000 1.198 364 H CB 1.548 31.354 29.762 0.074 0.000 1.490 364 H HN 0.724 nan 8.280 nan 0.000 0.504 365 T N 3.055 117.347 114.554 -0.436 0.000 2.770 365 T HA 0.350 4.700 4.350 -0.000 0.000 0.283 365 T C 0.020 174.518 174.700 -0.336 0.000 0.988 365 T CA -1.260 60.692 62.100 -0.246 0.000 0.957 365 T CB 0.722 69.525 68.868 -0.110 0.000 0.930 365 T HN 0.549 nan 8.240 nan 0.000 0.443 366 N N 2.054 120.741 118.700 -0.022 0.000 2.371 366 N HA 0.236 4.976 4.740 -0.000 0.000 0.243 366 N C 0.094 175.620 175.510 0.027 0.000 1.287 366 N CA -0.210 52.903 53.050 0.105 0.000 0.911 366 N CB 0.511 39.112 38.487 0.190 0.000 1.142 366 N HN 0.621 nan 8.380 nan 0.000 0.451 367 S N 0.155 115.886 115.700 0.051 0.000 2.690 367 S HA 0.250 4.720 4.470 -0.000 0.000 0.291 367 S C 1.615 176.197 174.600 -0.031 0.000 1.138 367 S CA -0.761 57.435 58.200 -0.007 0.000 1.013 367 S CB 1.033 64.238 63.200 0.008 0.000 1.053 367 S HN 0.532 nan 8.310 nan 0.000 0.539 368 L N 0.458 121.622 121.223 -0.100 0.000 2.191 368 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 368 L C 1.044 177.839 176.870 -0.125 0.000 1.103 368 L CA 1.455 56.205 54.840 -0.150 0.000 0.769 368 L CB -1.071 40.800 42.059 -0.312 0.000 0.908 368 L HN 0.548 nan 8.230 nan 0.000 0.438 369 D N -0.576 119.774 120.400 -0.083 0.000 2.344 369 D HA -0.082 4.558 4.640 -0.000 0.000 0.242 369 D C 1.650 177.942 176.300 -0.012 0.000 1.159 369 D CA 0.469 54.440 54.000 -0.047 0.000 0.859 369 D CB -0.185 40.597 40.800 -0.030 0.000 0.925 369 D HN 0.612 nan 8.370 nan 0.000 0.510 370 E N 1.116 121.321 120.200 0.008 0.000 2.209 370 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 370 E C 1.755 178.378 176.600 0.037 0.000 0.993 370 E CA 1.452 57.881 56.400 0.048 0.000 0.819 370 E CB -0.338 29.405 29.700 0.072 0.000 0.745 370 E HN 0.304 nan 8.360 nan 0.000 0.477 371 A N -0.548 122.275 122.820 0.005 0.000 2.132 371 A HA 0.185 4.505 4.320 -0.000 0.000 0.213 371 A C 1.942 179.525 177.584 -0.002 0.000 1.154 371 A CA 0.566 52.600 52.037 -0.004 0.000 0.753 371 A CB -0.116 18.866 19.000 -0.031 0.000 0.826 371 A HN 0.324 nan 8.150 nan 0.000 0.469 372 I N -1.657 118.911 120.570 -0.002 0.000 2.899 372 I HA 0.383 4.553 4.170 -0.000 0.000 0.257 372 I C 1.106 177.228 176.117 0.008 0.000 1.115 372 I CA 0.868 62.167 61.300 -0.002 0.000 1.451 372 I CB 0.209 38.200 38.000 -0.015 0.000 1.251 372 I HN 0.277 nan 8.210 nan 0.000 0.456 373 A N -0.129 122.695 122.820 0.006 0.000 2.515 373 A HA 0.668 4.988 4.320 -0.000 0.000 0.299 373 A C -1.186 176.399 177.584 0.002 0.000 1.179 373 A CA -0.673 51.368 52.037 0.008 0.000 0.656 373 A CB 0.387 19.379 19.000 -0.012 0.000 1.306 373 A HN 0.035 nan 8.150 nan 0.000 0.459 374 L N 0.899 122.110 121.223 -0.021 0.000 2.473 374 L HA 0.321 4.661 4.340 -0.000 0.000 0.268 374 L C -2.035 174.779 176.870 -0.093 0.000 1.215 374 L CA -1.507 53.307 54.840 -0.044 0.000 0.823 374 L CB -0.074 41.926 42.059 -0.098 0.000 1.099 374 L HN 0.392 nan 8.230 nan 0.000 0.483 375 P HA 0.061 nan 4.420 nan 0.000 0.269 375 P C -0.383 176.826 177.300 -0.152 0.000 1.209 375 P CA -0.291 62.784 63.100 -0.041 0.000 0.776 375 P CB 0.507 32.254 31.700 0.079 0.000 0.876 376 T N -1.879 112.636 114.554 -0.064 0.000 2.849 376 T HA 0.229 4.579 4.350 -0.000 0.000 0.276 376 T C 0.898 175.623 174.700 0.042 0.000 0.971 376 T CA -0.439 61.622 62.100 -0.065 0.000 0.949 376 T CB 0.537 69.423 68.868 0.030 0.000 1.093 376 T HN 0.199 nan 8.240 nan 0.000 0.545 377 D N -0.393 120.063 120.400 0.093 0.000 2.097 377 D HA -0.056 4.584 4.640 -0.000 0.000 0.195 377 D C 1.599 178.017 176.300 0.197 0.000 0.989 377 D CA 1.082 55.204 54.000 0.203 0.000 0.827 377 D CB -0.364 40.545 40.800 0.182 0.000 0.966 377 D HN 0.525 nan 8.370 nan 0.000 0.456 378 F N 2.121 122.105 119.950 0.057 0.000 2.095 378 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 378 F C 2.600 178.432 175.800 0.053 0.000 1.104 378 F CA 2.157 60.190 58.000 0.055 0.000 1.232 378 F CB -0.555 38.474 39.000 0.050 0.000 0.987 378 F HN -0.036 nan 8.300 nan 0.000 0.475 379 S N 0.671 116.342 115.700 -0.048 0.000 2.368 379 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 379 S C 2.312 176.840 174.600 -0.121 0.000 1.029 379 S CA 1.009 59.105 58.200 -0.173 0.000 0.988 379 S CB -1.244 61.945 63.200 -0.019 0.000 0.838 379 S HN 0.490 nan 8.310 nan 0.000 0.462 380 A N 2.401 125.230 122.820 0.015 0.000 1.908 380 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 380 A C 2.355 179.935 177.584 -0.006 0.000 1.181 380 A CA 1.759 53.839 52.037 0.072 0.000 0.627 380 A CB -0.905 18.251 19.000 0.260 0.000 0.818 380 A HN 0.673 nan 8.150 nan 0.000 0.445 381 R N -0.277 120.200 120.500 -0.037 0.000 2.081 381 R HA -0.087 4.252 4.340 -0.000 0.000 0.235 381 R C 1.959 178.191 176.300 -0.113 0.000 1.131 381 R CA 1.776 57.840 56.100 -0.059 0.000 0.960 381 R CB -0.419 29.861 30.300 -0.033 0.000 0.856 381 R HN 0.548 nan 8.270 nan 0.000 0.436 382 I N 0.798 121.232 120.570 -0.226 0.000 2.163 382 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 382 I C 2.595 178.647 176.117 -0.107 0.000 1.085 382 I CA 1.375 62.555 61.300 -0.200 0.000 1.347 382 I CB -0.466 37.353 38.000 -0.302 0.000 1.044 382 I HN 0.340 nan 8.210 nan 0.000 0.408 383 A N 0.667 123.427 122.820 -0.100 0.000 1.883 383 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 383 A C 2.450 180.009 177.584 -0.042 0.000 1.186 383 A CA 1.996 53.993 52.037 -0.067 0.000 0.624 383 A CB -0.679 18.275 19.000 -0.076 0.000 0.822 383 A HN 0.381 nan 8.150 nan 0.000 0.444 384 R N -0.298 120.181 120.500 -0.035 0.000 2.115 384 R HA -0.044 4.296 4.340 -0.000 0.000 0.226 384 R C 1.681 177.995 176.300 0.023 0.000 1.100 384 R CA 1.433 57.527 56.100 -0.010 0.000 0.980 384 R CB -0.361 29.926 30.300 -0.021 0.000 0.875 384 R HN 0.718 nan 8.270 nan 0.000 0.445 385 N N -0.863 117.846 118.700 0.015 0.000 2.396 385 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 385 N C 1.051 176.629 175.510 0.112 0.000 1.028 385 N CA 1.204 54.285 53.050 0.051 0.000 0.893 385 N CB 0.153 38.649 38.487 0.014 0.000 0.967 385 N HN 0.173 nan 8.380 nan 0.000 0.440 386 T N 1.294 115.902 114.554 0.090 0.000 2.635 386 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 386 T C 1.756 176.604 174.700 0.247 0.000 1.040 386 T CA 1.301 63.494 62.100 0.155 0.000 1.156 386 T CB -0.204 68.713 68.868 0.083 0.000 0.863 386 T HN 0.363 nan 8.240 nan 0.000 0.430 387 Q N 0.270 120.196 119.800 0.211 0.000 2.172 387 Q HA 0.132 4.472 4.340 -0.000 0.000 0.200 387 Q C 2.460 178.612 176.000 0.254 0.000 0.964 387 Q CA 0.771 56.770 55.803 0.327 0.000 0.855 387 Q CB -0.307 28.651 28.738 0.367 0.000 0.918 387 Q HN 0.449 nan 8.270 nan 0.000 0.444 388 L N -0.060 121.247 121.223 0.141 0.000 2.056 388 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 388 L C 2.345 179.274 176.870 0.098 0.000 1.078 388 L CA 0.945 55.820 54.840 0.059 0.000 0.749 388 L CB -0.389 41.698 42.059 0.046 0.000 0.901 388 L HN 0.193 nan 8.230 nan 0.000 0.433 389 F N 0.744 120.723 119.950 0.048 0.000 2.126 389 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 389 F C 2.128 177.984 175.800 0.094 0.000 1.096 389 F CA 1.571 59.605 58.000 0.057 0.000 1.255 389 F CB -0.249 38.784 39.000 0.055 0.000 0.997 389 F HN -0.103 nan 8.300 nan 0.000 0.479 390 L N -0.309 120.908 121.223 -0.010 0.000 2.093 390 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 390 L C 2.510 179.421 176.870 0.067 0.000 1.085 390 L CA 1.320 56.158 54.840 -0.002 0.000 0.755 390 L CB -0.794 41.434 42.059 0.283 0.000 0.904 390 L HN 0.223 nan 8.230 nan 0.000 0.435 391 Q N -0.496 119.322 119.800 0.031 0.000 2.079 391 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 391 Q C 2.200 178.117 176.000 -0.138 0.000 0.974 391 Q CA 1.424 57.129 55.803 -0.163 0.000 0.840 391 Q CB 0.024 28.522 28.738 -0.400 0.000 0.898 391 Q HN 0.577 nan 8.270 nan 0.000 0.430 392 Q N -0.168 119.550 119.800 -0.137 0.000 2.165 392 Q HA -0.033 4.307 4.340 -0.000 0.000 0.197 392 Q C 1.374 177.295 176.000 -0.132 0.000 0.952 392 Q CA 0.780 56.516 55.803 -0.112 0.000 0.848 392 Q CB 0.442 29.145 28.738 -0.059 0.000 0.931 392 Q HN 0.284 nan 8.270 nan 0.000 0.470 393 E N -0.282 119.763 120.200 -0.259 0.000 2.413 393 E HA -0.008 4.342 4.350 -0.000 0.000 0.203 393 E C 1.874 178.283 176.600 -0.319 0.000 0.957 393 E CA 0.582 56.820 56.400 -0.271 0.000 0.950 393 E CB 0.508 30.036 29.700 -0.286 0.000 0.957 393 E HN 0.213 nan 8.360 nan 0.000 0.497 394 S N 0.012 115.454 115.700 -0.429 0.000 2.402 394 S HA -0.035 4.435 4.470 -0.000 0.000 0.229 394 S C 1.819 176.365 174.600 -0.089 0.000 1.021 394 S CA 0.917 58.958 58.200 -0.265 0.000 0.974 394 S CB -0.226 62.841 63.200 -0.223 0.000 0.800 394 S HN 0.310 nan 8.310 nan 0.000 0.484 395 G N 0.989 109.756 108.800 -0.055 0.000 2.160 395 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.251 395 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.251 395 G C 0.622 175.544 174.900 0.036 0.000 1.008 395 G CA 0.898 45.994 45.100 -0.006 0.000 0.724 395 G HN 1.234 nan 8.290 nan 0.000 0.514 396 T N -2.796 111.805 114.554 0.078 0.000 3.086 396 T HA 0.257 4.607 4.350 -0.000 0.000 0.250 396 T C 2.074 176.932 174.700 0.263 0.000 1.074 396 T CA 1.521 63.708 62.100 0.146 0.000 0.988 396 T CB 0.124 69.097 68.868 0.175 0.000 0.988 396 T HN 0.929 nan 8.240 nan 0.000 0.530 397 T N 0.337 115.040 114.554 0.247 0.000 3.065 397 T HA 0.084 4.434 4.350 -0.000 0.000 0.252 397 T C 1.923 176.775 174.700 0.254 0.000 1.099 397 T CA -0.197 62.113 62.100 0.351 0.000 1.063 397 T CB -0.291 68.713 68.868 0.228 0.000 0.948 397 T HN 0.602 nan 8.240 nan 0.000 0.506 398 R N 0.936 121.527 120.500 0.151 0.000 2.189 398 R HA 0.220 4.560 4.340 -0.000 0.000 0.218 398 R C 0.221 176.586 176.300 0.108 0.000 1.074 398 R CA 0.243 56.410 56.100 0.112 0.000 0.991 398 R CB -0.477 29.861 30.300 0.063 0.000 0.883 398 R HN 0.295 nan 8.270 nan 0.000 0.457 399 V N 2.268 122.247 119.914 0.109 0.000 2.581 399 V HA 0.303 4.423 4.120 -0.000 0.000 0.303 399 V C 0.096 176.266 176.094 0.126 0.000 1.041 399 V CA -1.015 61.330 62.300 0.075 0.000 0.907 399 V CB 2.077 33.908 31.823 0.014 0.000 0.994 399 V HN 0.112 nan 8.190 nan 0.000 0.442 400 I N 3.802 124.435 120.570 0.105 0.000 2.436 400 I HA 0.186 4.356 4.170 -0.000 0.000 0.289 400 I C 0.396 176.568 176.117 0.091 0.000 1.083 400 I CA 0.206 61.606 61.300 0.167 0.000 1.372 400 I CB 0.069 38.127 38.000 0.096 0.000 1.408 400 I HN 0.755 nan 8.210 nan 0.000 0.516 401 D N 8.024 128.487 120.400 0.106 0.000 3.038 401 D HA -0.135 4.505 4.640 -0.000 0.000 0.229 401 D C -1.449 174.803 176.300 -0.080 0.000 1.182 401 D CA -0.003 53.910 54.000 -0.146 0.000 0.852 401 D CB 0.274 41.141 40.800 0.111 0.000 0.932 401 D HN 0.363 nan 8.370 nan 0.000 0.406 402 P HA -0.152 nan 4.420 nan 0.000 0.217 402 P C 1.449 178.595 177.300 -0.257 0.000 1.150 402 P CA 1.237 64.213 63.100 -0.207 0.000 0.832 402 P CB -0.251 31.268 31.700 -0.302 0.000 0.787 403 W N 0.632 121.946 121.300 0.024 0.000 2.937 403 W HA 0.130 4.790 4.660 0.000 0.000 0.245 403 W C 1.213 177.775 176.519 0.071 0.000 1.306 403 W CA -0.011 57.379 57.345 0.076 0.000 1.470 403 W CB -0.822 28.701 29.460 0.104 0.000 1.132 403 W HN -0.117 nan 8.180 nan 0.000 0.675 404 S N 0.751 116.578 115.700 0.212 0.000 2.737 404 S HA 0.289 4.759 4.470 -0.000 0.000 0.315 404 S C 1.296 175.976 174.600 0.132 0.000 1.236 404 S CA 1.369 59.687 58.200 0.197 0.000 1.093 404 S CB -0.063 63.216 63.200 0.130 0.000 0.832 404 S HN 0.683 nan 8.310 nan 0.000 0.507 405 G N 3.187 112.073 108.800 0.143 0.000 2.345 405 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 405 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 405 G C 0.419 175.460 174.900 0.235 0.000 1.058 405 G CA 0.265 45.413 45.100 0.080 0.000 0.632 405 G HN 1.728 nan 8.290 nan 0.000 0.508 406 S N 1.443 117.308 115.700 0.274 0.000 2.810 406 S HA 0.353 4.823 4.470 -0.000 0.000 0.329 406 S C 1.859 176.620 174.600 0.269 0.000 1.231 406 S CA 0.949 59.333 58.200 0.307 0.000 1.042 406 S CB 0.819 64.264 63.200 0.408 0.000 0.756 406 S HN 1.845 nan 8.310 nan 0.000 0.504 407 A N 5.842 128.804 122.820 0.237 0.000 1.897 407 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 407 A C 1.852 179.493 177.584 0.096 0.000 1.181 407 A CA 1.374 53.505 52.037 0.158 0.000 0.620 407 A CB -1.001 18.023 19.000 0.039 0.000 0.821 407 A HN 1.046 nan 8.150 nan 0.000 0.443 408 Y N 1.032 121.233 120.300 -0.165 0.000 2.097 408 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 408 Y C 2.458 178.124 175.900 -0.389 0.000 1.152 408 Y CA 1.731 59.449 58.100 -0.636 0.000 1.136 408 Y CB -0.813 37.312 38.460 -0.558 0.000 0.975 408 Y HN 0.076 nan 8.280 nan 0.000 0.498 409 V N 0.646 120.392 119.914 -0.281 0.000 2.295 409 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 409 V C 2.465 178.517 176.094 -0.069 0.000 1.049 409 V CA 2.178 64.328 62.300 -0.250 0.000 1.024 409 V CB -0.612 31.180 31.823 -0.051 0.000 0.648 409 V HN 0.305 nan 8.190 nan 0.000 0.447 410 E N 0.041 120.299 120.200 0.097 0.000 2.058 410 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 410 E C 2.205 178.954 176.600 0.248 0.000 0.997 410 E CA 1.712 58.264 56.400 0.253 0.000 0.801 410 E CB -0.273 29.608 29.700 0.301 0.000 0.746 410 E HN 0.701 nan 8.360 nan 0.000 0.450 411 E N 0.938 121.208 120.200 0.116 0.000 2.051 411 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 411 E C 2.235 178.895 176.600 0.101 0.000 0.991 411 E CA 0.890 57.387 56.400 0.162 0.000 0.799 411 E CB -0.363 29.387 29.700 0.084 0.000 0.748 411 E HN 0.191 nan 8.360 nan 0.000 0.449 412 L N 0.053 121.212 121.223 -0.107 0.000 2.083 412 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 412 L C 2.487 179.324 176.870 -0.055 0.000 1.083 412 L CA 1.625 56.386 54.840 -0.131 0.000 0.752 412 L CB -0.756 41.123 42.059 -0.300 0.000 0.899 412 L HN 0.205 nan 8.230 nan 0.000 0.433 413 T N -1.069 113.483 114.554 -0.003 0.000 2.652 413 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 413 T C 1.481 176.237 174.700 0.092 0.000 1.039 413 T CA 1.692 63.780 62.100 -0.019 0.000 1.153 413 T CB -0.440 68.413 68.868 -0.025 0.000 0.863 413 T HN 0.530 nan 8.240 nan 0.000 0.428 414 W N 1.948 123.296 121.300 0.081 0.000 2.358 414 W HA -0.191 4.469 4.660 0.000 0.000 0.303 414 W C 1.667 178.210 176.519 0.039 0.000 1.208 414 W CA 0.977 58.418 57.345 0.161 0.000 1.274 414 W CB -0.060 29.604 29.460 0.339 0.000 1.138 414 W HN 0.264 nan 8.180 nan 0.000 0.515 415 D N 0.795 121.228 120.400 0.055 0.000 2.084 415 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 415 D C 2.277 178.485 176.300 -0.154 0.000 0.990 415 D CA 1.725 55.651 54.000 -0.124 0.000 0.826 415 D CB -0.910 39.855 40.800 -0.057 0.000 0.971 415 D HN 0.243 nan 8.370 nan 0.000 0.453 416 L N 0.701 121.854 121.223 -0.116 0.000 2.046 416 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 416 L C 2.564 179.357 176.870 -0.128 0.000 1.077 416 L CA 1.135 55.894 54.840 -0.135 0.000 0.747 416 L CB -0.433 41.531 42.059 -0.158 0.000 0.896 416 L HN -0.018 nan 8.230 nan 0.000 0.432 417 A N 0.148 122.900 122.820 -0.115 0.000 1.883 417 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 417 A C 2.385 179.918 177.584 -0.085 0.000 1.186 417 A CA 1.709 53.691 52.037 -0.091 0.000 0.624 417 A CB -0.487 18.462 19.000 -0.084 0.000 0.822 417 A HN 0.322 nan 8.150 nan 0.000 0.444 418 R N -0.695 119.671 120.500 -0.223 0.000 2.066 418 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 418 R C 2.366 178.559 176.300 -0.178 0.000 1.131 418 R CA 1.518 57.461 56.100 -0.262 0.000 0.955 418 R CB -0.264 29.715 30.300 -0.536 0.000 0.851 418 R HN 0.460 nan 8.270 nan 0.000 0.432 419 K N 0.202 120.466 120.400 -0.226 0.000 2.057 419 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 419 K C 2.066 178.397 176.600 -0.449 0.000 1.049 419 K CA 1.368 57.461 56.287 -0.324 0.000 0.931 419 K CB -0.058 32.286 32.500 -0.259 0.000 0.714 419 K HN 0.143 nan 8.250 nan 0.000 0.440 420 A N 0.771 123.482 122.820 -0.183 0.000 1.968 420 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 420 A C 1.861 179.480 177.584 0.058 0.000 1.169 420 A CA 0.754 52.774 52.037 -0.029 0.000 0.638 420 A CB -0.778 18.245 19.000 0.038 0.000 0.812 420 A HN 0.604 nan 8.150 nan 0.000 0.446 421 W N 0.783 122.012 121.300 -0.117 0.000 2.388 421 W HA -0.129 4.531 4.660 -0.000 0.000 0.294 421 W C 1.994 178.473 176.519 -0.067 0.000 1.212 421 W CA 1.443 58.752 57.345 -0.060 0.000 1.271 421 W CB -0.296 29.127 29.460 -0.063 0.000 1.126 421 W HN 0.390 nan 8.180 nan 0.000 0.535 422 G N -0.624 108.129 108.800 -0.078 0.000 2.422 422 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 422 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 422 G C 1.171 175.992 174.900 -0.132 0.000 1.140 422 G CA 0.968 45.976 45.100 -0.153 0.000 0.775 422 G HN 0.275 nan 8.290 nan 0.000 0.545 423 H N 0.521 119.546 119.070 -0.075 0.000 2.353 423 H HA 0.036 4.592 4.556 -0.000 0.000 0.300 423 H C 2.665 177.958 175.328 -0.058 0.000 1.090 423 H CA 0.885 56.903 56.048 -0.051 0.000 1.327 423 H CB -0.369 29.360 29.762 -0.055 0.000 1.383 423 H HN 0.346 nan 8.280 nan 0.000 0.508 424 I N 0.799 121.364 120.570 -0.009 0.000 2.179 424 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 424 I C 2.639 178.606 176.117 -0.249 0.000 1.088 424 I CA 1.142 62.367 61.300 -0.125 0.000 1.357 424 I CB -0.252 37.604 38.000 -0.242 0.000 1.051 424 I HN 0.228 nan 8.210 nan 0.000 0.409 425 Q N 0.453 120.015 119.800 -0.396 0.000 2.045 425 Q HA -0.290 4.050 4.340 -0.000 0.000 0.206 425 Q C 2.508 178.419 176.000 -0.148 0.000 0.991 425 Q CA 2.589 58.193 55.803 -0.332 0.000 0.851 425 Q CB -0.422 28.112 28.738 -0.341 0.000 0.911 425 Q HN 0.669 nan 8.270 nan 0.000 0.418 426 E N 0.448 120.599 120.200 -0.082 0.000 2.033 426 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 426 E C 2.057 178.646 176.600 -0.019 0.000 1.011 426 E CA 1.812 58.197 56.400 -0.024 0.000 0.815 426 E CB -1.299 28.416 29.700 0.026 0.000 0.755 426 E HN 0.229 nan 8.360 nan 0.000 0.451 427 V N 1.579 121.493 119.914 -0.000 0.000 2.278 427 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 427 V C 2.534 178.610 176.094 -0.031 0.000 1.062 427 V CA 2.307 64.605 62.300 -0.003 0.000 1.038 427 V CB -0.567 31.275 31.823 0.033 0.000 0.646 427 V HN 0.578 nan 8.190 nan 0.000 0.447 428 E N 0.297 120.465 120.200 -0.052 0.000 2.153 428 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 428 E C 2.361 178.934 176.600 -0.045 0.000 0.988 428 E CA 1.744 58.113 56.400 -0.052 0.000 0.811 428 E CB -0.330 29.322 29.700 -0.081 0.000 0.746 428 E HN 0.734 nan 8.360 nan 0.000 0.466 429 K N 0.871 121.244 120.400 -0.046 0.000 2.486 429 K HA 0.063 4.383 4.320 -0.000 0.000 0.194 429 K C 1.770 178.353 176.600 -0.028 0.000 1.033 429 K CA 0.578 56.843 56.287 -0.035 0.000 1.004 429 K CB -0.261 32.219 32.500 -0.034 0.000 0.798 429 K HN 0.014 nan 8.250 nan 0.000 0.495 430 V N 0.000 119.896 119.914 -0.030 0.000 3.376 430 V HA 0.348 4.468 4.120 -0.000 0.000 0.313 430 V C 1.543 177.616 176.094 -0.035 0.000 1.393 430 V CA 0.835 63.116 62.300 -0.031 0.000 1.125 430 V CB -0.123 31.682 31.823 -0.031 0.000 1.037 430 V HN 0.817 nan 8.190 nan 0.000 0.440 431 G N -0.348 108.433 108.800 -0.032 0.000 2.195 431 G HA2 0.026 3.986 3.960 -0.000 0.000 0.246 431 G HA3 0.026 3.986 3.960 -0.000 0.000 0.246 431 G C 0.859 175.740 174.900 -0.032 0.000 0.984 431 G CA 0.011 45.092 45.100 -0.031 0.000 0.633 431 G HN 1.832 nan 8.290 nan 0.000 0.525 432 G N -1.908 106.870 108.800 -0.036 0.000 2.423 432 G HA2 0.285 4.245 3.960 -0.000 0.000 0.684 432 G HA3 0.285 4.245 3.960 -0.000 0.000 0.684 432 G C 0.503 175.364 174.900 -0.066 0.000 1.309 432 G CA 0.290 45.369 45.100 -0.035 0.000 0.950 432 G HN 0.620 nan 8.290 nan 0.000 0.587 433 M N 0.401 119.956 119.600 -0.075 0.000 2.254 433 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 433 M C 2.925 179.142 176.300 -0.138 0.000 1.066 433 M CA 2.307 57.535 55.300 -0.120 0.000 1.123 433 M CB -1.518 31.011 32.600 -0.119 0.000 1.388 433 M HN 1.117 nan 8.290 nan 0.000 0.425 434 A N 0.610 123.350 122.820 -0.133 0.000 1.933 434 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 434 A C 2.273 179.767 177.584 -0.151 0.000 1.175 434 A CA 1.491 53.438 52.037 -0.150 0.000 0.628 434 A CB -0.429 18.483 19.000 -0.146 0.000 0.814 434 A HN 0.436 nan 8.150 nan 0.000 0.444 435 K N -0.402 119.926 120.400 -0.119 0.000 2.062 435 K HA 0.001 4.321 4.320 -0.000 0.000 0.205 435 K C 2.365 178.903 176.600 -0.104 0.000 1.051 435 K CA 1.064 57.290 56.287 -0.103 0.000 0.941 435 K CB -0.367 32.087 32.500 -0.077 0.000 0.719 435 K HN 0.425 nan 8.250 nan 0.000 0.440 436 A N 1.828 124.581 122.820 -0.111 0.000 1.877 436 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 436 A C 2.185 179.682 177.584 -0.145 0.000 1.186 436 A CA 1.261 53.224 52.037 -0.124 0.000 0.620 436 A CB -0.616 18.294 19.000 -0.149 0.000 0.822 436 A HN 0.165 nan 8.150 nan 0.000 0.443 437 I N -0.688 119.783 120.570 -0.165 0.000 2.286 437 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 437 I C 2.487 178.527 176.117 -0.128 0.000 1.115 437 I CA 1.572 62.783 61.300 -0.148 0.000 1.392 437 I CB -0.245 37.676 38.000 -0.132 0.000 1.065 437 I HN 0.299 nan 8.210 nan 0.000 0.418 438 E N 1.649 121.762 120.200 -0.145 0.000 2.110 438 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 438 E C 1.949 178.502 176.600 -0.078 0.000 0.988 438 E CA 1.470 57.795 56.400 -0.125 0.000 0.804 438 E CB -0.079 29.540 29.700 -0.136 0.000 0.745 438 E HN 0.327 nan 8.360 nan 0.000 0.458 439 K N -1.407 118.950 120.400 -0.072 0.000 2.362 439 K HA 0.031 4.351 4.320 -0.000 0.000 0.200 439 K C 1.189 177.763 176.600 -0.045 0.000 1.046 439 K CA 0.664 56.919 56.287 -0.053 0.000 0.952 439 K CB 0.047 32.516 32.500 -0.051 0.000 0.753 439 K HN 0.311 nan 8.250 nan 0.000 0.466 440 G N 1.044 109.814 108.800 -0.050 0.000 2.175 440 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 440 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 440 G C 0.852 175.731 174.900 -0.034 0.000 0.982 440 G CA 0.209 45.288 45.100 -0.034 0.000 0.641 440 G HN 0.215 nan 8.290 nan 0.000 0.527 441 I N 1.118 121.660 120.570 -0.048 0.000 2.127 441 I HA -0.128 4.042 4.170 -0.000 0.000 0.241 441 I C 0.465 176.567 176.117 -0.025 0.000 1.075 441 I CA 2.090 63.370 61.300 -0.033 0.000 1.334 441 I CB -1.464 36.517 38.000 -0.033 0.000 1.040 441 I HN 0.146 nan 8.210 nan 0.000 0.405 442 P HA -0.223 nan 4.420 nan 0.000 0.214 442 P C 1.650 178.959 177.300 0.016 0.000 1.163 442 P CA 1.663 64.668 63.100 -0.159 0.000 0.889 442 P CB -0.086 31.249 31.700 -0.608 0.000 0.790 443 K N -0.773 119.620 120.400 -0.012 0.000 2.063 443 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 443 K C 2.089 178.702 176.600 0.022 0.000 1.048 443 K CA 1.701 58.000 56.287 0.021 0.000 0.928 443 K CB -0.456 32.055 32.500 0.019 0.000 0.713 443 K HN 0.031 nan 8.250 nan 0.000 0.442 444 M N -0.210 119.397 119.600 0.013 0.000 2.132 444 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 444 M C 2.325 178.632 176.300 0.012 0.000 1.065 444 M CA 1.491 56.797 55.300 0.009 0.000 1.122 444 M CB -0.175 32.427 32.600 0.004 0.000 1.365 444 M HN 0.089 nan 8.290 nan 0.000 0.411 445 R N 1.157 121.675 120.500 0.030 0.000 2.083 445 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 445 R C 1.723 178.023 176.300 0.001 0.000 1.137 445 R CA 1.754 57.867 56.100 0.021 0.000 0.951 445 R CB -0.577 29.763 30.300 0.067 0.000 0.851 445 R HN 0.333 nan 8.270 nan 0.000 0.434 446 I N 0.433 121.020 120.570 0.027 0.000 2.179 446 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 446 I C 2.119 178.212 176.117 -0.040 0.000 1.088 446 I CA 1.710 63.002 61.300 -0.015 0.000 1.357 446 I CB -0.303 37.709 38.000 0.020 0.000 1.051 446 I HN 0.345 nan 8.210 nan 0.000 0.409 447 E N 0.439 120.627 120.200 -0.020 0.000 2.153 447 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 447 E C 2.053 178.643 176.600 -0.017 0.000 0.988 447 E CA 1.082 57.468 56.400 -0.023 0.000 0.811 447 E CB -0.026 29.668 29.700 -0.009 0.000 0.746 447 E HN 0.504 nan 8.360 nan 0.000 0.466 448 E N 0.445 120.637 120.200 -0.013 0.000 2.051 448 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 448 E C 2.102 178.689 176.600 -0.021 0.000 0.991 448 E CA 1.022 57.417 56.400 -0.008 0.000 0.799 448 E CB -0.126 29.567 29.700 -0.012 0.000 0.748 448 E HN 0.232 nan 8.360 nan 0.000 0.449 449 A N 1.262 124.053 122.820 -0.048 0.000 1.933 449 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 449 A C 2.342 179.874 177.584 -0.086 0.000 1.175 449 A CA 1.682 53.675 52.037 -0.074 0.000 0.628 449 A CB -0.557 18.380 19.000 -0.105 0.000 0.814 449 A HN 0.302 nan 8.150 nan 0.000 0.444 450 A N -0.296 122.469 122.820 -0.093 0.000 1.930 450 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 450 A C 2.459 180.042 177.584 -0.001 0.000 1.175 450 A CA 1.839 53.816 52.037 -0.100 0.000 0.627 450 A CB -0.845 18.087 19.000 -0.114 0.000 0.815 450 A HN 0.957 nan 8.150 nan 0.000 0.443 451 A N -0.209 122.634 122.820 0.037 0.000 1.873 451 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 451 A C 2.244 179.895 177.584 0.112 0.000 1.186 451 A CA 1.370 53.488 52.037 0.135 0.000 0.616 451 A CB -0.459 18.619 19.000 0.130 0.000 0.823 451 A HN 0.507 nan 8.150 nan 0.000 0.442 452 R N -0.895 119.623 120.500 0.030 0.000 2.083 452 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 452 R C 2.340 178.639 176.300 -0.003 0.000 1.137 452 R CA 1.977 58.071 56.100 -0.011 0.000 0.951 452 R CB -0.847 29.439 30.300 -0.022 0.000 0.851 452 R HN 0.532 nan 8.270 nan 0.000 0.434 453 T N 0.651 115.212 114.554 0.011 0.000 2.684 453 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 453 T C 1.742 176.515 174.700 0.121 0.000 1.036 453 T CA 1.536 63.670 62.100 0.058 0.000 1.148 453 T CB -0.211 68.662 68.868 0.007 0.000 0.863 453 T HN 0.176 nan 8.240 nan 0.000 0.436 454 Q N 0.935 120.828 119.800 0.155 0.000 2.124 454 Q HA 0.051 4.391 4.340 -0.000 0.000 0.202 454 Q C 2.278 178.385 176.000 0.178 0.000 0.977 454 Q CA 1.659 57.602 55.803 0.233 0.000 0.850 454 Q CB -0.660 28.271 28.738 0.322 0.000 0.901 454 Q HN 0.537 nan 8.270 nan 0.000 0.429 455 A N 0.280 123.069 122.820 -0.052 0.000 1.877 455 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 455 A C 2.039 179.535 177.584 -0.146 0.000 1.186 455 A CA 1.528 53.322 52.037 -0.405 0.000 0.620 455 A CB -0.447 18.154 19.000 -0.664 0.000 0.822 455 A HN 0.402 nan 8.150 nan 0.000 0.443 456 R N -0.384 120.082 120.500 -0.056 0.000 2.080 456 R HA -0.095 4.245 4.340 -0.000 0.000 0.236 456 R C 2.009 178.328 176.300 0.032 0.000 1.137 456 R CA 1.803 57.902 56.100 -0.001 0.000 0.943 456 R CB -0.582 29.741 30.300 0.037 0.000 0.846 456 R HN 0.564 nan 8.270 nan 0.000 0.431 457 I N 0.837 121.451 120.570 0.073 0.000 2.252 457 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 457 I C 1.592 177.745 176.117 0.061 0.000 1.102 457 I CA 1.197 62.544 61.300 0.078 0.000 1.385 457 I CB -0.311 37.762 38.000 0.122 0.000 1.064 457 I HN 0.092 nan 8.210 nan 0.000 0.414 458 D N 0.487 120.935 120.400 0.080 0.000 2.144 458 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 458 D C 2.392 178.722 176.300 0.049 0.000 0.984 458 D CA 1.775 55.830 54.000 0.091 0.000 0.834 458 D CB -0.151 40.759 40.800 0.183 0.000 0.955 458 D HN 0.336 nan 8.370 nan 0.000 0.465 459 S N -1.071 114.636 115.700 0.013 0.000 2.453 459 S HA 0.119 4.589 4.470 -0.000 0.000 0.231 459 S C 1.814 176.413 174.600 -0.001 0.000 1.005 459 S CA 1.110 59.309 58.200 -0.002 0.000 0.949 459 S CB 0.225 63.408 63.200 -0.029 0.000 0.774 459 S HN 0.329 nan 8.310 nan 0.000 0.510 460 G N 0.401 109.201 108.800 0.001 0.000 2.159 460 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.227 460 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.227 460 G C 0.923 175.817 174.900 -0.010 0.000 0.986 460 G CA 0.657 45.751 45.100 -0.011 0.000 0.651 460 G HN 0.914 nan 8.290 nan 0.000 0.523 461 R N -0.205 120.296 120.500 0.002 0.000 2.075 461 R HA 0.297 4.637 4.340 -0.000 0.000 0.232 461 R C 1.580 177.899 176.300 0.031 0.000 1.126 461 R CA 2.149 58.257 56.100 0.014 0.000 0.963 461 R CB -0.469 29.841 30.300 0.016 0.000 0.858 461 R HN 0.766 nan 8.270 nan 0.000 0.435 462 Q N 1.149 120.975 119.800 0.043 0.000 2.398 462 Q HA 0.282 4.622 4.340 -0.000 0.000 0.251 462 Q C -2.584 173.439 176.000 0.038 0.000 0.999 462 Q CA -2.537 53.306 55.803 0.067 0.000 0.874 462 Q CB 1.590 30.389 28.738 0.103 0.000 1.215 462 Q HN 0.177 nan 8.270 nan 0.000 0.470 463 P HA -0.025 nan 4.420 nan 0.000 0.266 463 P C -1.302 175.993 177.300 -0.008 0.000 1.195 463 P CA -0.119 62.969 63.100 -0.019 0.000 0.768 463 P CB 0.515 32.197 31.700 -0.030 0.000 0.838 464 L N 4.778 125.981 121.223 -0.032 0.000 2.529 464 L HA 0.316 4.656 4.340 -0.000 0.000 0.258 464 L C -1.052 175.796 176.870 -0.037 0.000 1.032 464 L CA -0.629 54.189 54.840 -0.036 0.000 0.899 464 L CB 0.318 42.346 42.059 -0.052 0.000 1.174 464 L HN 0.112 nan 8.230 nan 0.000 0.458 465 I N 4.692 125.253 120.570 -0.015 0.000 2.741 465 I HA 0.270 4.440 4.170 -0.000 0.000 0.288 465 I C 1.631 177.765 176.117 0.029 0.000 1.192 465 I CA 1.386 62.698 61.300 0.020 0.000 1.426 465 I CB -0.193 37.853 38.000 0.077 0.000 1.367 465 I HN 0.883 nan 8.210 nan 0.000 0.563 466 G N 4.293 113.122 108.800 0.047 0.000 2.225 466 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 466 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 466 G C 0.643 175.555 174.900 0.021 0.000 0.988 466 G CA 0.355 45.485 45.100 0.049 0.000 0.625 466 G HN 0.449 nan 8.290 nan 0.000 0.527 467 V N 0.903 120.815 119.914 -0.004 0.000 2.939 467 V HA 0.167 4.287 4.120 -0.000 0.000 0.228 467 V C 1.867 177.953 176.094 -0.014 0.000 1.162 467 V CA 1.781 64.075 62.300 -0.010 0.000 1.222 467 V CB -0.102 31.704 31.823 -0.029 0.000 1.053 467 V HN 0.531 nan 8.190 nan 0.000 0.504 468 N N 0.108 118.789 118.700 -0.032 0.000 2.203 468 N HA 0.160 4.900 4.740 -0.000 0.000 0.207 468 N C -0.081 175.377 175.510 -0.087 0.000 1.130 468 N CA 0.044 53.071 53.050 -0.038 0.000 0.861 468 N CB 0.464 38.934 38.487 -0.028 0.000 1.005 468 N HN 0.502 nan 8.380 nan 0.000 0.507 469 K N -0.089 120.233 120.400 -0.129 0.000 2.575 469 K HA 0.149 4.469 4.320 -0.000 0.000 0.255 469 K C -1.228 175.220 176.600 -0.254 0.000 0.953 469 K CA -0.627 55.479 56.287 -0.303 0.000 0.840 469 K CB 0.719 32.964 32.500 -0.425 0.000 1.303 469 K HN -0.046 nan 8.250 nan 0.000 0.438 470 Y N 0.152 120.460 120.300 0.012 0.000 3.168 470 Y HA -0.294 4.256 4.550 -0.000 0.000 0.207 470 Y C 0.215 176.123 175.900 0.014 0.000 1.280 470 Y CA 0.301 58.408 58.100 0.012 0.000 1.235 470 Y CB -1.850 36.616 38.460 0.010 0.000 1.370 470 Y HN 0.490 nan 8.280 nan 0.000 0.537 471 R N 0.344 120.912 120.500 0.113 0.000 2.734 471 R HA 0.335 4.675 4.340 -0.000 0.000 0.266 471 R C 0.500 176.850 176.300 0.083 0.000 1.044 471 R CA -0.423 55.723 56.100 0.077 0.000 1.128 471 R CB 0.470 30.801 30.300 0.051 0.000 1.010 471 R HN 0.331 nan 8.270 nan 0.000 0.461 472 L N 2.307 123.569 121.223 0.065 0.000 2.379 472 L HA 0.107 4.447 4.340 -0.000 0.000 0.269 472 L C 1.878 178.775 176.870 0.046 0.000 1.084 472 L CA -0.462 54.411 54.840 0.054 0.000 0.802 472 L CB 1.065 43.153 42.059 0.049 0.000 1.175 472 L HN 0.616 nan 8.230 nan 0.000 0.448 473 E N 0.651 120.874 120.200 0.038 0.000 2.007 473 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 473 E C 0.609 177.228 176.600 0.031 0.000 0.999 473 E CA 1.778 58.198 56.400 0.033 0.000 0.811 473 E CB -0.355 29.361 29.700 0.026 0.000 0.762 473 E HN 0.744 nan 8.360 nan 0.000 0.450 474 H N 1.187 120.273 119.070 0.027 0.000 2.489 474 H HA 0.381 4.937 4.556 -0.000 0.000 0.343 474 H C -0.516 174.827 175.328 0.025 0.000 1.086 474 H CA -0.908 55.154 56.048 0.024 0.000 1.198 474 H CB 0.867 30.639 29.762 0.017 0.000 1.490 474 H HN -0.117 nan 8.280 nan 0.000 0.504 475 E N 4.181 124.396 120.200 0.025 0.000 2.105 475 E HA 0.230 4.580 4.350 -0.000 0.000 0.285 475 E C -2.109 174.501 176.600 0.016 0.000 1.055 475 E CA -2.097 54.318 56.400 0.026 0.000 0.843 475 E CB 1.201 30.915 29.700 0.023 0.000 1.067 475 E HN 0.649 nan 8.360 nan 0.000 0.398 476 P HA 0.116 nan 4.420 nan 0.000 0.268 476 P C -2.381 174.926 177.300 0.010 0.000 1.208 476 P CA -0.966 62.144 63.100 0.017 0.000 0.777 476 P CB -0.519 31.198 31.700 0.029 0.000 0.875 477 P HA 0.175 nan 4.420 nan 0.000 0.271 477 P C -0.961 176.337 177.300 -0.003 0.000 1.220 477 P CA -0.123 62.966 63.100 -0.019 0.000 0.768 477 P CB 0.350 32.033 31.700 -0.029 0.000 0.848 478 L N 1.667 122.883 121.223 -0.012 0.000 2.333 478 L HA 0.480 4.819 4.340 -0.000 0.000 0.280 478 L C -0.065 176.796 176.870 -0.015 0.000 1.004 478 L CA -0.085 54.756 54.840 0.002 0.000 0.820 478 L CB 0.986 43.046 42.059 0.003 0.000 1.247 478 L HN 0.508 nan 8.230 nan 0.000 0.416 479 D N 4.505 124.900 120.400 -0.007 0.000 2.383 479 D HA 0.514 5.153 4.640 -0.000 0.000 0.252 479 D C -0.170 176.121 176.300 -0.015 0.000 1.166 479 D CA 0.447 54.437 54.000 -0.017 0.000 0.879 479 D CB 0.671 41.459 40.800 -0.020 0.000 1.164 479 D HN 0.764 nan 8.370 nan 0.000 0.462 480 V N -0.248 119.649 119.914 -0.029 0.000 2.914 480 V HA 0.737 4.857 4.120 -0.000 0.000 0.314 480 V C -0.037 176.023 176.094 -0.057 0.000 1.084 480 V CA -1.351 60.927 62.300 -0.037 0.000 0.963 480 V CB 1.575 33.379 31.823 -0.032 0.000 1.025 480 V HN 0.674 nan 8.190 nan 0.000 0.432 481 L N 2.758 123.928 121.223 -0.088 0.000 2.462 481 L HA 0.432 4.772 4.340 -0.000 0.000 0.272 481 L C 0.134 176.953 176.870 -0.084 0.000 1.166 481 L CA 0.441 55.200 54.840 -0.135 0.000 0.880 481 L CB 0.169 42.080 42.059 -0.246 0.000 1.142 481 L HN 1.028 nan 8.230 nan 0.000 0.473 482 K N 4.704 125.065 120.400 -0.065 0.000 2.292 482 K HA 0.616 4.936 4.320 -0.000 0.000 0.257 482 K C -1.542 175.048 176.600 -0.016 0.000 0.940 482 K CA -0.813 55.457 56.287 -0.028 0.000 0.811 482 K CB 1.541 34.031 32.500 -0.017 0.000 1.120 482 K HN 0.487 nan 8.250 nan 0.000 0.428 483 V N 2.845 122.763 119.914 0.007 0.000 2.567 483 V HA 0.147 4.267 4.120 -0.000 0.000 0.289 483 V C -0.331 175.776 176.094 0.021 0.000 1.049 483 V CA -0.567 61.756 62.300 0.038 0.000 0.969 483 V CB 1.433 33.295 31.823 0.066 0.000 0.995 483 V HN 0.842 nan 8.190 nan 0.000 0.471 484 D N 2.549 122.962 120.400 0.022 0.000 2.412 484 D HA 0.265 4.905 4.640 -0.000 0.000 0.224 484 D C 0.798 177.103 176.300 0.008 0.000 1.093 484 D CA -0.402 53.602 54.000 0.008 0.000 0.850 484 D CB 0.951 41.755 40.800 0.006 0.000 1.046 484 D HN 0.525 nan 8.370 nan 0.000 0.507 485 N N 1.777 120.478 118.700 0.002 0.000 2.084 485 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 485 N C 1.745 177.256 175.510 0.001 0.000 1.030 485 N CA 1.127 54.180 53.050 0.005 0.000 0.849 485 N CB -0.310 38.179 38.487 0.003 0.000 1.012 485 N HN 0.421 nan 8.380 nan 0.000 0.423 486 S N 0.051 115.749 115.700 -0.003 0.000 2.412 486 S HA -0.419 4.051 4.470 -0.000 0.000 0.311 486 S C 2.017 176.616 174.600 -0.001 0.000 1.182 486 S CA 2.917 61.115 58.200 -0.003 0.000 1.365 486 S CB -1.522 61.675 63.200 -0.004 0.000 1.295 486 S HN 0.542 nan 8.310 nan 0.000 0.463 487 T N 0.096 114.649 114.554 -0.001 0.000 2.985 487 T HA 0.068 4.418 4.350 -0.000 0.000 0.266 487 T C 1.712 176.409 174.700 -0.005 0.000 1.076 487 T CA 1.322 63.421 62.100 -0.003 0.000 1.135 487 T CB -0.460 68.406 68.868 -0.003 0.000 0.890 487 T HN 0.378 nan 8.240 nan 0.000 0.480 488 V N 1.539 121.452 119.914 -0.002 0.000 2.270 488 V HA -0.020 4.100 4.120 -0.000 0.000 0.245 488 V C 2.529 178.624 176.094 0.001 0.000 1.043 488 V CA 1.288 63.584 62.300 -0.005 0.000 1.014 488 V CB -1.046 30.776 31.823 -0.001 0.000 0.645 488 V HN 0.352 nan 8.190 nan 0.000 0.447 489 L N 1.055 122.280 121.223 0.004 0.000 1.971 489 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 489 L C 2.576 179.450 176.870 0.006 0.000 1.072 489 L CA 2.498 57.342 54.840 0.006 0.000 0.758 489 L CB -1.252 40.809 42.059 0.003 0.000 0.889 489 L HN 0.278 nan 8.230 nan 0.000 0.433 490 A N -1.106 121.716 122.820 0.003 0.000 1.873 490 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 490 A C 2.350 179.937 177.584 0.004 0.000 1.193 490 A CA 2.081 54.120 52.037 0.003 0.000 0.629 490 A CB -0.837 18.163 19.000 0.000 0.000 0.826 490 A HN 0.624 nan 8.150 nan 0.000 0.447 491 E N -1.050 119.151 120.200 0.001 0.000 2.208 491 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 491 E C 1.992 178.599 176.600 0.012 0.000 0.988 491 E CA 0.971 57.372 56.400 0.002 0.000 0.828 491 E CB -0.096 29.599 29.700 -0.009 0.000 0.763 491 E HN 0.569 nan 8.360 nan 0.000 0.478 492 Q N 0.830 120.639 119.800 0.016 0.000 2.083 492 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 492 Q C 2.058 178.078 176.000 0.034 0.000 0.969 492 Q CA 1.045 56.865 55.803 0.029 0.000 0.838 492 Q CB -0.206 28.547 28.738 0.025 0.000 0.900 492 Q HN 0.257 nan 8.270 nan 0.000 0.436 493 K N 0.572 120.986 120.400 0.024 0.000 2.044 493 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 493 K C 2.041 178.658 176.600 0.028 0.000 1.049 493 K CA 1.520 57.820 56.287 0.022 0.000 0.927 493 K CB -0.227 32.281 32.500 0.014 0.000 0.713 493 K HN 0.162 nan 8.250 nan 0.000 0.443 494 A N 1.821 124.657 122.820 0.026 0.000 1.969 494 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 494 A C 1.742 179.359 177.584 0.055 0.000 1.169 494 A CA 1.365 53.420 52.037 0.031 0.000 0.635 494 A CB -0.238 18.772 19.000 0.017 0.000 0.810 494 A HN 0.240 nan 8.150 nan 0.000 0.445 495 K N -0.338 120.109 120.400 0.078 0.000 2.217 495 K HA 0.073 4.393 4.320 -0.000 0.000 0.202 495 K C 1.617 178.337 176.600 0.199 0.000 1.051 495 K CA 0.838 57.223 56.287 0.163 0.000 0.952 495 K CB -0.259 32.370 32.500 0.214 0.000 0.736 495 K HN 0.447 nan 8.250 nan 0.000 0.453 496 L N 0.668 121.950 121.223 0.099 0.000 2.131 496 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 496 L C 2.323 179.216 176.870 0.037 0.000 1.087 496 L CA 0.411 55.277 54.840 0.043 0.000 0.767 496 L CB -0.209 41.864 42.059 0.024 0.000 0.917 496 L HN -0.078 nan 8.230 nan 0.000 0.441 497 V N 0.305 120.247 119.914 0.047 0.000 2.237 497 V HA -0.347 3.773 4.120 -0.000 0.000 0.245 497 V C 2.562 178.691 176.094 0.058 0.000 1.046 497 V CA 2.079 64.402 62.300 0.039 0.000 1.007 497 V CB -0.500 31.342 31.823 0.032 0.000 0.638 497 V HN 0.450 nan 8.190 nan 0.000 0.445 498 K N -0.348 120.108 120.400 0.094 0.000 2.063 498 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 498 K C 2.218 178.933 176.600 0.191 0.000 1.048 498 K CA 1.911 58.279 56.287 0.135 0.000 0.928 498 K CB -0.305 32.280 32.500 0.141 0.000 0.713 498 K HN 0.315 nan 8.250 nan 0.000 0.442 499 L N 1.740 123.082 121.223 0.198 0.000 1.990 499 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 499 L C 2.433 179.270 176.870 -0.054 0.000 1.072 499 L CA 1.769 56.573 54.840 -0.060 0.000 0.755 499 L CB -0.334 41.536 42.059 -0.314 0.000 0.889 499 L HN 0.142 nan 8.230 nan 0.000 0.432 500 R N -0.980 119.503 120.500 -0.028 0.000 2.092 500 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 500 R C 2.208 178.506 176.300 -0.003 0.000 1.119 500 R CA 1.084 57.170 56.100 -0.023 0.000 0.970 500 R CB -0.531 29.760 30.300 -0.014 0.000 0.864 500 R HN 0.574 nan 8.270 nan 0.000 0.440 501 A N 1.306 124.136 122.820 0.017 0.000 1.841 501 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 501 A C 2.346 179.945 177.584 0.025 0.000 1.199 501 A CA 2.262 54.312 52.037 0.023 0.000 0.621 501 A CB -1.061 17.959 19.000 0.033 0.000 0.835 501 A HN 0.483 nan 8.150 nan 0.000 0.445 502 E N 0.816 121.044 120.200 0.047 0.000 2.150 502 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 502 E C 1.471 178.085 176.600 0.025 0.000 0.985 502 E CA 1.118 57.548 56.400 0.051 0.000 0.814 502 E CB -0.819 28.945 29.700 0.107 0.000 0.752 502 E HN 0.895 nan 8.360 nan 0.000 0.466 503 R N 0.208 120.707 120.500 -0.002 0.000 2.747 503 R HA 0.245 4.585 4.340 -0.000 0.000 0.278 503 R C -0.442 175.849 176.300 -0.015 0.000 1.153 503 R CA -0.131 55.956 56.100 -0.022 0.000 1.206 503 R CB 0.324 30.591 30.300 -0.056 0.000 1.161 503 R HN 0.150 nan 8.270 nan 0.000 0.589 504 D N 0.531 120.919 120.400 -0.020 0.000 2.313 504 D HA 0.163 4.803 4.640 -0.000 0.000 0.239 504 D C -1.653 174.633 176.300 -0.023 0.000 1.142 504 D CA -2.379 51.611 54.000 -0.018 0.000 0.847 504 D CB 1.648 42.438 40.800 -0.018 0.000 1.082 504 D HN 0.278 nan 8.370 nan 0.000 0.480 505 P HA -0.085 nan 4.420 nan 0.000 0.217 505 P C 1.097 178.384 177.300 -0.022 0.000 1.150 505 P CA 1.280 64.367 63.100 -0.021 0.000 0.832 505 P CB 0.308 31.998 31.700 -0.016 0.000 0.787 506 E N 1.155 121.342 120.200 -0.022 0.000 2.028 506 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 506 E C 1.947 178.530 176.600 -0.028 0.000 0.988 506 E CA 1.628 58.014 56.400 -0.024 0.000 0.799 506 E CB -1.362 nan 29.700 nan 0.000 0.755 506 E HN 0.297 nan 8.360 nan 0.000 0.447 507 K N -0.209 120.174 120.400 -0.028 0.000 2.147 507 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 507 K C 2.253 178.833 176.600 -0.034 0.000 1.049 507 K CA 1.136 57.405 56.287 -0.031 0.000 0.936 507 K CB -0.083 32.400 32.500 -0.029 0.000 0.722 507 K HN 0.265 nan 8.250 nan 0.000 0.446 508 V N 1.218 121.111 119.914 -0.034 0.000 2.379 508 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 508 V C 2.212 178.286 176.094 -0.034 0.000 1.044 508 V CA 1.547 63.824 62.300 -0.037 0.000 1.036 508 V CB -0.297 31.501 31.823 -0.041 0.000 0.664 508 V HN 0.279 nan 8.190 nan 0.000 0.453 509 K N 0.233 120.615 120.400 -0.030 0.000 2.148 509 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 509 K C 2.172 178.755 176.600 -0.029 0.000 1.050 509 K CA 1.294 57.565 56.287 -0.027 0.000 0.942 509 K CB -0.241 32.245 32.500 -0.023 0.000 0.724 509 K HN 0.430 nan 8.250 nan 0.000 0.446 510 A N 0.988 123.788 122.820 -0.034 0.000 1.898 510 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 510 A C 2.293 179.855 177.584 -0.036 0.000 1.181 510 A CA 1.685 53.698 52.037 -0.040 0.000 0.620 510 A CB -0.707 18.264 19.000 -0.047 0.000 0.819 510 A HN 0.431 nan 8.150 nan 0.000 0.442 511 A N -0.181 122.619 122.820 -0.033 0.000 1.933 511 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 511 A C 2.152 179.723 177.584 -0.023 0.000 1.175 511 A CA 1.425 53.446 52.037 -0.028 0.000 0.628 511 A CB -0.572 18.408 19.000 -0.033 0.000 0.814 511 A HN 0.480 nan 8.150 nan 0.000 0.444 512 L N -0.690 120.517 121.223 -0.026 0.000 1.994 512 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 512 L C 2.188 179.047 176.870 -0.017 0.000 1.071 512 L CA 1.565 56.389 54.840 -0.027 0.000 0.745 512 L CB -0.799 41.243 42.059 -0.029 0.000 0.892 512 L HN 0.239 nan 8.230 nan 0.000 0.431 513 D N 0.166 120.560 120.400 -0.010 0.000 2.123 513 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 513 D C 2.169 178.501 176.300 0.054 0.000 0.992 513 D CA 1.127 55.132 54.000 0.009 0.000 0.833 513 D CB -0.058 40.737 40.800 -0.007 0.000 0.954 513 D HN 0.147 nan 8.370 nan 0.000 0.455 514 K N 0.124 120.551 120.400 0.045 0.000 2.103 514 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 514 K C 2.182 178.886 176.600 0.173 0.000 1.048 514 K CA 0.680 57.041 56.287 0.123 0.000 0.930 514 K CB -0.122 32.400 32.500 0.036 0.000 0.716 514 K HN 0.146 nan 8.250 nan 0.000 0.444 515 I N 0.475 121.077 120.570 0.053 0.000 2.142 515 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 515 I C 2.123 178.198 176.117 -0.069 0.000 1.078 515 I CA 1.552 62.843 61.300 -0.015 0.000 1.343 515 I CB -0.473 37.494 38.000 -0.056 0.000 1.046 515 I HN 0.203 nan 8.210 nan 0.000 0.405 516 T N -0.306 114.210 114.554 -0.063 0.000 2.720 516 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 516 T C 1.362 176.016 174.700 -0.077 0.000 1.037 516 T CA 1.598 63.627 62.100 -0.119 0.000 1.144 516 T CB -0.533 68.291 68.868 -0.072 0.000 0.864 516 T HN 0.554 nan 8.240 nan 0.000 0.444 517 W N 2.348 123.578 121.300 -0.117 0.000 2.333 517 W HA -0.113 4.547 4.660 -0.000 0.000 0.316 517 W C 2.598 179.064 176.519 -0.088 0.000 1.215 517 W CA 1.333 58.626 57.345 -0.087 0.000 1.278 517 W CB -0.766 28.656 29.460 -0.064 0.000 1.154 517 W HN 0.231 nan 8.180 nan 0.000 0.486 518 A N 0.761 123.434 122.820 -0.245 0.000 1.933 518 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 518 A C 2.132 179.478 177.584 -0.397 0.000 1.175 518 A CA 2.695 54.432 52.037 -0.500 0.000 0.628 518 A CB -1.578 17.341 19.000 -0.135 0.000 0.814 518 A HN 0.507 nan 8.150 nan 0.000 0.444 519 A N -0.502 122.113 122.820 -0.341 0.000 1.883 519 A HA 0.073 4.392 4.320 -0.000 0.000 0.217 519 A C 2.395 179.788 177.584 -0.317 0.000 1.186 519 A CA 2.028 53.807 52.037 -0.430 0.000 0.624 519 A CB -1.345 17.154 19.000 -0.835 0.000 0.822 519 A HN 0.762 nan 8.150 nan 0.000 0.444 520 G N -0.866 107.743 108.800 -0.317 0.000 2.448 520 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 520 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 520 G C 0.378 175.121 174.900 -0.261 0.000 1.135 520 G CA 0.650 45.616 45.100 -0.222 0.000 0.784 520 G HN 0.591 nan 8.290 nan 0.000 0.543 521 N N 1.429 119.855 118.700 -0.457 0.000 2.976 521 N HA 0.314 5.054 4.740 -0.000 0.000 0.255 521 N C -2.884 172.368 175.510 -0.430 0.000 1.312 521 N CA -1.102 51.663 53.050 -0.475 0.000 0.897 521 N CB 1.942 39.992 38.487 -0.728 0.000 1.184 521 N HN 0.119 nan 8.380 nan 0.000 0.497 522 P HA 0.089 nan 4.420 nan 0.000 0.271 522 P C -0.862 176.355 177.300 -0.138 0.000 1.220 522 P CA 0.276 63.275 63.100 -0.168 0.000 0.768 522 P CB 1.047 32.694 31.700 -0.089 0.000 0.848 523 D N 2.328 122.658 120.400 -0.116 0.000 2.479 523 D HA 0.085 4.725 4.640 -0.000 0.000 0.246 523 D C 0.342 176.621 176.300 -0.036 0.000 1.336 523 D CA -0.423 53.540 54.000 -0.062 0.000 0.967 523 D CB 0.700 41.474 40.800 -0.043 0.000 1.275 523 D HN 0.220 nan 8.370 nan 0.000 0.577 524 D N 1.296 121.681 120.400 -0.025 0.000 2.363 524 D HA -0.077 4.563 4.640 -0.000 0.000 0.220 524 D C 0.965 177.265 176.300 0.000 0.000 0.994 524 D CA 0.331 54.323 54.000 -0.013 0.000 0.890 524 D CB 0.186 40.976 40.800 -0.016 0.000 0.906 524 D HN 0.059 nan 8.370 nan 0.000 0.530 525 K N -0.519 119.883 120.400 0.004 0.000 2.444 525 K HA 0.077 4.397 4.320 -0.000 0.000 0.193 525 K C 0.076 176.688 176.600 0.020 0.000 1.024 525 K CA 0.561 56.855 56.287 0.012 0.000 1.077 525 K CB -0.364 32.143 32.500 0.012 0.000 0.833 525 K HN 0.498 nan 8.250 nan 0.000 0.517 526 D N -0.346 120.069 120.400 0.024 0.000 2.492 526 D HA 0.290 4.930 4.640 -0.000 0.000 0.248 526 D C -2.196 174.132 176.300 0.046 0.000 1.101 526 D CA -2.504 51.520 54.000 0.040 0.000 0.840 526 D CB 2.033 42.868 40.800 0.058 0.000 1.209 526 D HN -0.169 nan 8.370 nan 0.000 0.524 527 P HA 0.016 nan 4.420 nan 0.000 0.225 527 P C 0.372 177.721 177.300 0.081 0.000 1.156 527 P CA 0.589 63.724 63.100 0.059 0.000 0.787 527 P CB 0.362 32.087 31.700 0.040 0.000 0.802 528 D N -0.806 119.643 120.400 0.083 0.000 2.317 528 D HA -0.063 4.577 4.640 -0.000 0.000 0.211 528 D C 1.846 178.225 176.300 0.131 0.000 0.966 528 D CA 0.560 54.618 54.000 0.097 0.000 0.876 528 D CB -0.023 40.826 40.800 0.082 0.000 0.927 528 D HN 0.214 nan 8.370 nan 0.000 0.519 529 R N 0.882 121.465 120.500 0.138 0.000 2.276 529 R HA -0.001 4.339 4.340 -0.000 0.000 0.196 529 R C 0.839 177.169 176.300 0.049 0.000 0.961 529 R CA -0.211 55.966 56.100 0.128 0.000 1.024 529 R CB 0.156 30.490 30.300 0.057 0.000 0.940 529 R HN 0.007 nan 8.270 nan 0.000 0.480 530 N N 1.485 120.218 118.700 0.056 0.000 2.292 530 N HA -0.144 4.596 4.740 -0.000 0.000 0.258 530 N C 0.900 176.411 175.510 0.002 0.000 1.261 530 N CA 0.317 53.392 53.050 0.040 0.000 0.845 530 N CB 0.699 39.251 38.487 0.108 0.000 1.064 530 N HN 0.201 nan 8.380 nan 0.000 0.471 531 L N 3.177 124.382 121.223 -0.030 0.000 2.201 531 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 531 L C 2.193 179.002 176.870 -0.101 0.000 1.105 531 L CA 0.418 55.224 54.840 -0.056 0.000 0.775 531 L CB -0.322 41.709 42.059 -0.047 0.000 0.913 531 L HN 0.550 nan 8.230 nan 0.000 0.440 532 L N 0.259 121.390 121.223 -0.153 0.000 2.027 532 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 532 L C 2.562 179.217 176.870 -0.359 0.000 1.074 532 L CA 1.804 56.465 54.840 -0.298 0.000 0.745 532 L CB -0.869 40.896 42.059 -0.490 0.000 0.898 532 L HN 0.112 nan 8.230 nan 0.000 0.433 533 K N -0.115 120.108 120.400 -0.295 0.000 2.044 533 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 533 K C 2.126 178.680 176.600 -0.077 0.000 1.049 533 K CA 2.121 58.330 56.287 -0.131 0.000 0.927 533 K CB -0.511 32.036 32.500 0.080 0.000 0.713 533 K HN 0.438 nan 8.250 nan 0.000 0.443 534 L N 0.249 121.444 121.223 -0.046 0.000 2.141 534 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 534 L C 2.749 179.586 176.870 -0.054 0.000 1.094 534 L CA 0.743 55.567 54.840 -0.027 0.000 0.763 534 L CB -0.338 41.726 42.059 0.009 0.000 0.908 534 L HN 0.253 nan 8.230 nan 0.000 0.437 535 C N -0.071 119.176 119.300 -0.088 0.000 2.446 535 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 535 C C 2.698 177.629 174.990 -0.100 0.000 1.275 535 C CA 0.252 59.214 59.018 -0.093 0.000 1.727 535 C CB -0.559 27.120 27.740 -0.103 0.000 2.010 535 C HN 0.419 nan 8.230 nan 0.000 0.486 536 I N 1.379 121.872 120.570 -0.129 0.000 2.163 536 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 536 I C 2.145 178.221 176.117 -0.068 0.000 1.085 536 I CA 1.694 62.927 61.300 -0.111 0.000 1.347 536 I CB -0.502 37.414 38.000 -0.141 0.000 1.044 536 I HN 0.339 nan 8.210 nan 0.000 0.408 537 D N 0.820 121.189 120.400 -0.052 0.000 2.117 537 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 537 D C 2.265 178.541 176.300 -0.041 0.000 0.987 537 D CA 1.624 55.602 54.000 -0.036 0.000 0.829 537 D CB -0.245 40.541 40.800 -0.023 0.000 0.961 537 D HN 0.388 nan 8.370 nan 0.000 0.460 538 A N 0.746 123.538 122.820 -0.046 0.000 1.930 538 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 538 A C 2.372 179.922 177.584 -0.056 0.000 1.175 538 A CA 1.967 53.974 52.037 -0.049 0.000 0.627 538 A CB -0.966 18.005 19.000 -0.049 0.000 0.815 538 A HN 0.303 nan 8.150 nan 0.000 0.443 539 G N -0.724 108.040 108.800 -0.060 0.000 2.408 539 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 539 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 539 G C 1.709 176.576 174.900 -0.055 0.000 1.150 539 G CA 0.881 45.945 45.100 -0.061 0.000 0.776 539 G HN 0.530 nan 8.290 nan 0.000 0.542 540 R N 0.713 121.184 120.500 -0.047 0.000 2.148 540 R HA 0.111 4.451 4.340 -0.000 0.000 0.227 540 R C 2.431 178.710 176.300 -0.036 0.000 1.103 540 R CA 1.082 57.160 56.100 -0.037 0.000 0.983 540 R CB -0.241 30.041 30.300 -0.031 0.000 0.874 540 R HN 0.270 nan 8.270 nan 0.000 0.451 541 A N 0.315 123.109 122.820 -0.043 0.000 2.235 541 A HA 0.093 4.413 4.320 -0.000 0.000 0.208 541 A C 0.897 178.443 177.584 -0.063 0.000 1.172 541 A CA 0.549 52.559 52.037 -0.045 0.000 0.786 541 A CB -0.181 18.794 19.000 -0.042 0.000 0.804 541 A HN 0.558 nan 8.150 nan 0.000 0.479 542 M N -2.697 116.853 119.600 -0.084 0.000 2.879 542 M HA -0.175 4.305 4.480 -0.000 0.000 0.218 542 M C 0.378 176.605 176.300 -0.122 0.000 0.518 542 M CA 0.285 55.506 55.300 -0.132 0.000 0.751 542 M CB -2.126 30.373 32.600 -0.168 0.000 2.742 542 M HN 0.578 nan 8.290 nan 0.000 0.557 543 A N 0.439 123.205 122.820 -0.089 0.000 2.351 543 A HA 0.681 5.001 4.320 -0.000 0.000 0.257 543 A C 0.867 178.401 177.584 -0.084 0.000 1.087 543 A CA 0.409 52.400 52.037 -0.077 0.000 0.798 543 A CB 0.400 19.363 19.000 -0.060 0.000 1.033 543 A HN 0.542 nan 8.150 nan 0.000 0.488 544 T N -1.395 113.116 114.554 -0.072 0.000 2.810 544 T HA 0.363 4.713 4.350 -0.000 0.000 0.277 544 T C 1.147 175.814 174.700 -0.056 0.000 0.973 544 T CA -0.021 62.040 62.100 -0.065 0.000 0.949 544 T CB 0.632 69.469 68.868 -0.051 0.000 1.075 544 T HN 0.377 nan 8.240 nan 0.000 0.537 545 V N 1.384 121.265 119.914 -0.054 0.000 2.358 545 V HA 0.023 4.143 4.120 -0.000 0.000 0.246 545 V C 2.903 178.959 176.094 -0.064 0.000 1.047 545 V CA 2.332 64.591 62.300 -0.067 0.000 1.035 545 V CB -1.529 30.245 31.823 -0.082 0.000 0.658 545 V HN 1.106 nan 8.190 nan 0.000 0.452 546 G N -0.723 108.050 108.800 -0.045 0.000 2.418 546 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 546 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 546 G C 1.465 176.347 174.900 -0.030 0.000 1.158 546 G CA 0.869 45.946 45.100 -0.038 0.000 0.771 546 G HN 0.549 nan 8.290 nan 0.000 0.545 547 E N -0.131 120.053 120.200 -0.026 0.000 2.038 547 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 547 E C 2.681 179.264 176.600 -0.028 0.000 1.000 547 E CA 1.145 57.530 56.400 -0.025 0.000 0.803 547 E CB -0.201 29.480 29.700 -0.032 0.000 0.750 547 E HN 0.405 nan 8.360 nan 0.000 0.448 548 M N 0.361 119.939 119.600 -0.036 0.000 2.108 548 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 548 M C 2.469 178.761 176.300 -0.013 0.000 1.066 548 M CA 1.188 56.466 55.300 -0.036 0.000 1.107 548 M CB -0.224 32.348 32.600 -0.046 0.000 1.356 548 M HN -0.000 nan 8.290 nan 0.000 0.406 549 S N 0.488 116.188 115.700 -0.000 0.000 2.368 549 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 549 S C 1.382 176.036 174.600 0.091 0.000 1.030 549 S CA 1.334 59.576 58.200 0.070 0.000 0.999 549 S CB -0.443 62.730 63.200 -0.043 0.000 0.844 549 S HN 0.415 nan 8.310 nan 0.000 0.459 550 D N 1.977 122.388 120.400 0.018 0.000 2.123 550 D HA -0.035 4.605 4.640 -0.000 0.000 0.196 550 D C 2.149 178.452 176.300 0.005 0.000 0.992 550 D CA 1.234 55.247 54.000 0.021 0.000 0.833 550 D CB -0.579 40.225 40.800 0.007 0.000 0.954 550 D HN 0.375 nan 8.370 nan 0.000 0.455 551 A N 0.645 123.450 122.820 -0.025 0.000 1.892 551 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 551 A C 2.371 179.866 177.584 -0.147 0.000 1.188 551 A CA 1.258 53.254 52.037 -0.069 0.000 0.631 551 A CB -0.861 18.100 19.000 -0.065 0.000 0.822 551 A HN 0.248 nan 8.150 nan 0.000 0.447 552 L N -1.152 119.966 121.223 -0.175 0.000 2.109 552 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 552 L C 2.568 179.242 176.870 -0.326 0.000 1.086 552 L CA 1.501 56.091 54.840 -0.417 0.000 0.760 552 L CB -0.475 41.347 42.059 -0.396 0.000 0.910 552 L HN 0.538 nan 8.230 nan 0.000 0.437 553 E N 0.685 120.932 120.200 0.077 0.000 2.153 553 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 553 E C 2.007 178.651 176.600 0.074 0.000 0.988 553 E CA 0.856 57.397 56.400 0.235 0.000 0.811 553 E CB 0.201 30.034 29.700 0.221 0.000 0.746 553 E HN 0.402 nan 8.360 nan 0.000 0.466 554 K N -0.030 120.357 120.400 -0.021 0.000 2.074 554 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 554 K C 2.117 178.680 176.600 -0.063 0.000 1.048 554 K CA 1.590 57.855 56.287 -0.036 0.000 0.926 554 K CB -0.062 32.400 32.500 -0.063 0.000 0.713 554 K HN 0.122 nan 8.250 nan 0.000 0.444 555 V N 0.252 120.054 119.914 -0.187 0.000 2.599 555 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 555 V C 1.870 178.005 176.094 0.068 0.000 1.046 555 V CA 1.178 63.389 62.300 -0.149 0.000 1.065 555 V CB -0.365 31.231 31.823 -0.378 0.000 0.703 555 V HN 0.089 nan 8.190 nan 0.000 0.464 556 F N 0.899 120.828 119.950 -0.036 0.000 2.473 556 F HA 0.502 5.029 4.527 -0.000 0.000 0.294 556 F C 1.696 177.569 175.800 0.123 0.000 1.103 556 F CA 0.349 58.350 58.000 0.002 0.000 1.442 556 F CB -1.092 37.809 39.000 -0.165 0.000 1.097 556 F HN 0.277 nan 8.300 nan 0.000 0.547 557 G N 0.909 109.912 108.800 0.337 0.000 2.855 557 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.352 557 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.352 557 G C -0.262 174.840 174.900 0.337 0.000 1.415 557 G CA -0.803 44.461 45.100 0.272 0.000 0.871 557 G HN 0.316 nan 8.290 nan 0.000 0.543 558 R N -0.676 119.963 120.500 0.232 0.000 2.460 558 R HA 0.481 4.821 4.340 -0.000 0.000 0.303 558 R C -0.446 176.009 176.300 0.257 0.000 0.968 558 R CA -0.717 55.508 56.100 0.207 0.000 0.889 558 R CB 1.481 31.858 30.300 0.129 0.000 1.123 558 R HN 0.577 nan 8.270 nan 0.000 0.455 559 Y N 1.269 121.685 120.300 0.192 0.000 2.309 559 Y HA 0.187 4.737 4.550 -0.000 0.000 0.327 559 Y C -0.394 175.634 175.900 0.214 0.000 1.172 559 Y CA 0.472 58.671 58.100 0.165 0.000 1.280 559 Y CB 1.435 39.983 38.460 0.146 0.000 1.234 559 Y HN 0.407 nan 8.280 nan 0.000 0.512 560 T N 5.861 120.100 114.554 -0.525 0.000 2.841 560 T HA 0.682 5.032 4.350 -0.000 0.000 0.285 560 T C -0.652 173.592 174.700 -0.761 0.000 0.991 560 T CA -0.508 61.397 62.100 -0.325 0.000 0.966 560 T CB 0.784 69.579 68.868 -0.122 0.000 0.962 560 T HN 0.867 nan 8.240 nan 0.000 0.438 561 A N 2.900 125.479 122.820 -0.403 0.000 2.313 561 A HA 0.560 4.880 4.320 -0.000 0.000 0.261 561 A C 0.258 177.746 177.584 -0.159 0.000 1.090 561 A CA -0.495 51.378 52.037 -0.273 0.000 0.807 561 A CB 0.415 19.468 19.000 0.088 0.000 1.055 561 A HN 0.764 nan 8.150 nan 0.000 0.492 562 Q N 0.562 120.307 119.800 -0.091 0.000 2.243 562 Q HA 0.409 4.749 4.340 -0.000 0.000 0.252 562 Q C -1.036 174.952 176.000 -0.020 0.000 0.909 562 Q CA -0.619 55.153 55.803 -0.052 0.000 0.922 562 Q CB 0.584 29.296 28.738 -0.043 0.000 1.215 562 Q HN 0.588 nan 8.270 nan 0.000 0.427 563 I N 4.569 125.127 120.570 -0.020 0.000 2.352 563 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 563 I C 0.023 176.133 176.117 -0.010 0.000 1.036 563 I CA 0.162 61.454 61.300 -0.013 0.000 1.336 563 I CB 0.776 38.764 38.000 -0.020 0.000 1.407 563 I HN 0.639 nan 8.210 nan 0.000 0.497 564 R N 3.908 124.404 120.500 -0.006 0.000 2.561 564 R HA 0.589 4.929 4.340 -0.000 0.000 0.297 564 R C -0.812 175.485 176.300 -0.005 0.000 0.969 564 R CA -0.639 55.458 56.100 -0.005 0.000 0.879 564 R CB 2.342 32.639 30.300 -0.004 0.000 1.178 564 R HN 0.499 nan 8.270 nan 0.000 0.445 565 T N 4.028 118.580 114.554 -0.004 0.000 2.809 565 T HA 0.356 4.706 4.350 -0.000 0.000 0.284 565 T C 0.573 175.274 174.700 0.002 0.000 0.992 565 T CA -0.765 61.333 62.100 -0.004 0.000 0.957 565 T CB 0.799 69.663 68.868 -0.007 0.000 0.942 565 T HN 0.517 nan 8.240 nan 0.000 0.439 566 I N 1.112 121.684 120.570 0.004 0.000 3.060 566 I HA 0.624 4.794 4.170 -0.000 0.000 0.285 566 I C 0.123 176.251 176.117 0.019 0.000 1.190 566 I CA -0.262 61.045 61.300 0.011 0.000 1.363 566 I CB 0.596 38.603 38.000 0.013 0.000 1.396 566 I HN 0.592 nan 8.210 nan 0.000 0.607 567 S N 1.371 117.086 115.700 0.025 0.000 2.564 567 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 567 S C 0.185 174.810 174.600 0.041 0.000 1.124 567 S CA -0.332 57.889 58.200 0.035 0.000 0.869 567 S CB 1.249 64.468 63.200 0.031 0.000 1.105 567 S HN 1.744 nan 8.310 nan 0.000 0.472 568 G N -0.001 108.832 108.800 0.055 0.000 2.295 568 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.287 568 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.287 568 G C 0.246 175.181 174.900 0.057 0.000 1.055 568 G CA 0.377 45.512 45.100 0.058 0.000 0.922 568 G HN 0.977 nan 8.290 nan 0.000 0.503 569 V N -1.295 118.666 119.914 0.079 0.000 2.854 569 V HA 0.117 4.237 4.120 -0.000 0.000 0.236 569 V C 1.942 178.090 176.094 0.089 0.000 1.157 569 V CA 1.588 63.928 62.300 0.066 0.000 1.187 569 V CB -0.865 30.992 31.823 0.056 0.000 0.949 569 V HN 0.442 nan 8.190 nan 0.000 0.488 570 Y N 2.552 122.860 120.300 0.012 0.000 2.070 570 Y HA -0.310 4.240 4.550 -0.000 0.000 0.280 570 Y C 2.916 178.828 175.900 0.020 0.000 1.148 570 Y CA 2.506 60.617 58.100 0.018 0.000 1.125 570 Y CB -0.290 38.185 38.460 0.025 0.000 0.975 570 Y HN 0.362 nan 8.280 nan 0.000 0.492 571 S N -0.519 115.303 115.700 0.205 0.000 2.370 571 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 571 S C 1.986 176.589 174.600 0.005 0.000 1.033 571 S CA 1.490 59.752 58.200 0.103 0.000 1.011 571 S CB -0.740 62.539 63.200 0.132 0.000 0.852 571 S HN 0.326 nan 8.310 nan 0.000 0.457 572 K N 1.046 121.451 120.400 0.009 0.000 2.026 572 K HA -0.029 4.291 4.320 -0.000 0.000 0.208 572 K C 2.168 178.743 176.600 -0.041 0.000 1.048 572 K CA 1.396 57.677 56.287 -0.010 0.000 0.929 572 K CB -0.989 31.511 32.500 0.001 0.000 0.713 572 K HN 0.715 nan 8.250 nan 0.000 0.439 573 E N 0.670 120.829 120.200 -0.068 0.000 2.045 573 E HA -0.163 4.187 4.350 -0.000 0.000 0.212 573 E C 0.212 176.753 176.600 -0.098 0.000 1.039 573 E CA 1.776 58.123 56.400 -0.088 0.000 0.860 573 E CB -0.142 29.490 29.700 -0.114 0.000 0.776 573 E HN 0.192 nan 8.360 nan 0.000 0.467 574 V N 0.908 120.732 119.914 -0.150 0.000 2.275 574 V HA 0.502 4.622 4.120 -0.000 0.000 0.272 574 V C 0.326 176.370 176.094 -0.083 0.000 1.028 574 V CA -0.066 62.171 62.300 -0.105 0.000 0.810 574 V CB 0.289 32.049 31.823 -0.105 0.000 1.043 574 V HN 0.377 nan 8.190 nan 0.000 0.453 575 K N 3.135 123.507 120.400 -0.046 0.000 2.120 575 K HA 0.317 4.637 4.320 -0.000 0.000 0.245 575 K C 0.997 177.588 176.600 -0.016 0.000 1.024 575 K CA 0.132 56.405 56.287 -0.024 0.000 0.906 575 K CB -0.031 32.461 32.500 -0.014 0.000 1.051 575 K HN 1.202 nan 8.250 nan 0.000 0.491 576 N N -0.409 118.288 118.700 -0.005 0.000 2.716 576 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 576 N C -0.614 174.897 175.510 0.002 0.000 1.033 576 N CA 0.892 53.943 53.050 0.001 0.000 0.727 576 N CB -1.936 36.552 38.487 0.001 0.000 0.950 576 N HN 0.537 nan 8.380 nan 0.000 0.541 577 T N 1.178 115.735 114.554 0.004 0.000 2.889 577 T HA 0.300 4.650 4.350 -0.000 0.000 0.291 577 T C -0.904 173.806 174.700 0.017 0.000 0.995 577 T CA -1.262 60.843 62.100 0.009 0.000 1.092 577 T CB 1.775 70.650 68.868 0.011 0.000 0.954 577 T HN 0.161 nan 8.240 nan 0.000 0.506 578 P HA 0.021 nan 4.420 nan 0.000 0.220 578 P C 0.909 178.221 177.300 0.020 0.000 1.152 578 P CA 0.837 63.946 63.100 0.016 0.000 0.812 578 P CB 0.423 32.131 31.700 0.013 0.000 0.792 579 E N -0.180 120.036 120.200 0.027 0.000 2.072 579 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 579 E C 2.147 178.769 176.600 0.037 0.000 0.985 579 E CA 0.732 57.152 56.400 0.033 0.000 0.801 579 E CB -1.159 28.566 29.700 0.042 0.000 0.750 579 E HN -0.046 nan 8.360 nan 0.000 0.452 580 V N 1.021 120.965 119.914 0.050 0.000 2.295 580 V HA -0.299 3.820 4.120 -0.000 0.000 0.246 580 V C 2.539 178.652 176.094 0.033 0.000 1.049 580 V CA 2.450 64.786 62.300 0.060 0.000 1.024 580 V CB -1.004 30.867 31.823 0.080 0.000 0.648 580 V HN 0.507 nan 8.190 nan 0.000 0.447 581 E N -0.229 119.985 120.200 0.023 0.000 2.051 581 E HA -0.334 4.016 4.350 -0.000 0.000 0.192 581 E C 2.123 178.725 176.600 0.004 0.000 0.991 581 E CA 1.706 58.114 56.400 0.012 0.000 0.799 581 E CB -0.691 nan 29.700 nan 0.000 0.748 581 E HN 0.787 nan 8.360 nan 0.000 0.449 582 E N -0.278 119.925 120.200 0.006 0.000 2.085 582 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 582 E C 2.392 178.986 176.600 -0.010 0.000 0.994 582 E CA 1.080 57.481 56.400 0.001 0.000 0.801 582 E CB -0.272 29.432 29.700 0.007 0.000 0.743 582 E HN 0.491 nan 8.360 nan 0.000 0.453 583 A N 1.262 124.076 122.820 -0.010 0.000 1.865 583 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 583 A C 2.200 179.751 177.584 -0.055 0.000 1.191 583 A CA 1.701 53.720 52.037 -0.031 0.000 0.623 583 A CB -0.551 18.437 19.000 -0.020 0.000 0.826 583 A HN 0.191 nan 8.150 nan 0.000 0.444 584 R N -0.712 119.768 120.500 -0.035 0.000 2.080 584 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 584 R C 2.273 178.540 176.300 -0.055 0.000 1.137 584 R CA 1.821 57.893 56.100 -0.047 0.000 0.943 584 R CB -0.401 29.889 30.300 -0.017 0.000 0.846 584 R HN 0.674 nan 8.270 nan 0.000 0.431 585 E N 0.542 120.722 120.200 -0.033 0.000 2.065 585 E HA -0.237 4.113 4.350 -0.000 0.000 0.201 585 E C 1.965 178.545 176.600 -0.034 0.000 1.016 585 E CA 1.642 58.026 56.400 -0.028 0.000 0.818 585 E CB -0.212 29.479 29.700 -0.015 0.000 0.749 585 E HN 0.233 nan 8.360 nan 0.000 0.453 586 L N -0.059 121.141 121.223 -0.038 0.000 2.127 586 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 586 L C 2.337 179.165 176.870 -0.070 0.000 1.089 586 L CA 0.660 55.478 54.840 -0.037 0.000 0.757 586 L CB -0.415 41.623 42.059 -0.035 0.000 0.899 586 L HN 0.101 nan 8.230 nan 0.000 0.434 587 V N -0.338 119.478 119.914 -0.163 0.000 2.307 587 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 587 V C 2.379 178.404 176.094 -0.115 0.000 1.045 587 V CA 1.844 63.978 62.300 -0.276 0.000 1.024 587 V CB -0.423 31.160 31.823 -0.400 0.000 0.651 587 V HN 0.430 nan 8.190 nan 0.000 0.449 588 E N -0.062 120.093 120.200 -0.075 0.000 2.049 588 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 588 E C 2.280 178.876 176.600 -0.006 0.000 1.007 588 E CA 1.799 58.179 56.400 -0.033 0.000 0.809 588 E CB -0.178 29.505 29.700 -0.029 0.000 0.749 588 E HN 0.674 nan 8.360 nan 0.000 0.450 589 E N 0.033 120.232 120.200 -0.001 0.000 2.058 589 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 589 E C 1.975 178.585 176.600 0.016 0.000 0.997 589 E CA 0.994 57.395 56.400 0.003 0.000 0.801 589 E CB -0.293 29.408 29.700 0.001 0.000 0.746 589 E HN 0.208 nan 8.360 nan 0.000 0.450 590 F N 2.180 122.060 119.950 -0.116 0.000 2.065 590 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 590 F C 2.446 178.178 175.800 -0.113 0.000 1.112 590 F CA 2.209 60.128 58.000 -0.134 0.000 1.212 590 F CB -0.143 38.730 39.000 -0.213 0.000 0.975 590 F HN -0.027 nan 8.300 nan 0.000 0.476 591 E N -0.363 119.921 120.200 0.141 0.000 2.097 591 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 591 E C 2.158 178.746 176.600 -0.020 0.000 1.000 591 E CA 1.698 58.141 56.400 0.072 0.000 0.804 591 E CB -0.228 29.505 29.700 0.056 0.000 0.740 591 E HN 0.621 nan 8.360 nan 0.000 0.454 592 Q N -0.320 119.457 119.800 -0.037 0.000 2.124 592 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 592 Q C 2.222 178.169 176.000 -0.087 0.000 0.977 592 Q CA 1.249 57.022 55.803 -0.050 0.000 0.850 592 Q CB -0.118 28.595 28.738 -0.041 0.000 0.901 592 Q HN 0.352 nan 8.270 nan 0.000 0.429 593 A N 1.130 123.864 122.820 -0.145 0.000 1.898 593 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 593 A C 1.705 179.154 177.584 -0.225 0.000 1.181 593 A CA 1.242 53.164 52.037 -0.191 0.000 0.620 593 A CB 0.054 18.890 19.000 -0.272 0.000 0.819 593 A HN 0.157 nan 8.150 nan 0.000 0.442 594 E N -2.303 117.715 120.200 -0.303 0.000 2.511 594 E HA 0.257 4.607 4.350 -0.000 0.000 0.209 594 E C 1.160 177.709 176.600 -0.084 0.000 0.986 594 E CA 0.709 56.959 56.400 -0.249 0.000 0.974 594 E CB 0.471 29.876 29.700 -0.492 0.000 1.030 594 E HN 0.771 nan 8.360 nan 0.000 0.490 595 G N 2.533 111.302 108.800 -0.051 0.000 2.195 595 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 595 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 595 G C 0.391 175.318 174.900 0.045 0.000 0.984 595 G CA 0.479 45.579 45.100 0.001 0.000 0.633 595 G HN 0.316 nan 8.290 nan 0.000 0.525 596 R N -1.153 119.406 120.500 0.098 0.000 2.733 596 R HA 0.684 5.024 4.340 -0.000 0.000 0.272 596 R C -0.339 176.092 176.300 0.218 0.000 1.029 596 R CA -1.171 55.015 56.100 0.144 0.000 0.888 596 R CB 0.924 31.328 30.300 0.174 0.000 1.251 596 R HN 0.154 nan 8.270 nan 0.000 0.464 597 R N 0.901 121.494 120.500 0.155 0.000 2.738 597 R HA 0.204 4.544 4.340 -0.000 0.000 0.268 597 R C -2.027 174.327 176.300 0.090 0.000 1.062 597 R CA -1.288 54.858 56.100 0.076 0.000 1.158 597 R CB 0.173 30.472 30.300 -0.002 0.000 1.046 597 R HN 0.425 nan 8.270 nan 0.000 0.493 598 P HA 0.010 nan 4.420 nan 0.000 0.267 598 P C -1.042 176.269 177.300 0.018 0.000 1.205 598 P CA 0.134 62.808 63.100 -0.711 0.000 0.765 598 P CB 0.652 31.472 31.700 -1.466 0.000 0.828 599 R N 3.603 124.355 120.500 0.420 0.000 2.494 599 R HA 0.747 5.087 4.340 -0.000 0.000 0.305 599 R C -1.217 175.254 176.300 0.284 0.000 0.959 599 R CA -0.865 55.431 56.100 0.327 0.000 0.864 599 R CB 0.905 31.349 30.300 0.241 0.000 1.159 599 R HN 0.524 nan 8.270 nan 0.000 0.446 600 I N 4.522 125.218 120.570 0.209 0.000 2.730 600 I HA 0.451 4.621 4.170 -0.000 0.000 0.298 600 I C -1.802 174.349 176.117 0.056 0.000 1.089 600 I CA -1.521 59.853 61.300 0.124 0.000 1.041 600 I CB 1.928 39.975 38.000 0.080 0.000 1.235 600 I HN 0.735 nan 8.210 nan 0.000 0.423 601 L N 7.909 129.149 121.223 0.029 0.000 2.298 601 L HA 0.541 4.881 4.340 -0.000 0.000 0.284 601 L C -1.593 175.260 176.870 -0.029 0.000 1.013 601 L CA -0.161 54.680 54.840 0.002 0.000 0.824 601 L CB 1.282 43.347 42.059 0.009 0.000 1.221 601 L HN 0.502 nan 8.230 nan 0.000 0.418 602 L N 6.089 127.278 121.223 -0.056 0.000 2.261 602 L HA 0.705 5.045 4.340 -0.000 0.000 0.289 602 L C 0.278 177.112 176.870 -0.060 0.000 1.059 602 L CA -0.300 54.488 54.840 -0.087 0.000 0.816 602 L CB 0.963 42.940 42.059 -0.136 0.000 1.191 602 L HN 0.831 nan 8.230 nan 0.000 0.431 603 A N 4.518 127.310 122.820 -0.046 0.000 2.340 603 A HA 0.791 5.111 4.320 -0.000 0.000 0.331 603 A C -0.660 176.906 177.584 -0.029 0.000 1.140 603 A CA -0.782 51.236 52.037 -0.032 0.000 0.801 603 A CB 1.176 20.168 19.000 -0.013 0.000 1.234 603 A HN 0.477 nan 8.150 nan 0.000 0.469 604 K N 2.605 122.985 120.400 -0.033 0.000 2.449 604 K HA 0.495 4.815 4.320 -0.000 0.000 0.257 604 K C -0.945 175.652 176.600 -0.006 0.000 0.989 604 K CA 0.146 56.416 56.287 -0.029 0.000 0.916 604 K CB 1.247 33.699 32.500 -0.081 0.000 1.136 604 K HN 0.808 nan 8.250 nan 0.000 0.439 605 M N 0.485 120.102 119.600 0.028 0.000 2.644 605 M HA 0.556 5.036 4.480 -0.000 0.000 0.316 605 M C 0.700 177.050 176.300 0.083 0.000 1.200 605 M CA -0.330 55.000 55.300 0.050 0.000 0.944 605 M CB 1.985 34.609 32.600 0.040 0.000 1.691 605 M HN 0.805 nan 8.290 nan 0.000 0.471 606 G N 1.112 109.969 108.800 0.095 0.000 2.568 606 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.222 606 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.222 606 G C -0.125 174.890 174.900 0.192 0.000 1.321 606 G CA -0.528 44.632 45.100 0.100 0.000 0.893 606 G HN 0.636 nan 8.290 nan 0.000 0.569 607 Q N 0.437 120.345 119.800 0.180 0.000 2.360 607 Q HA 0.097 4.437 4.340 -0.000 0.000 0.202 607 Q C 0.893 177.098 176.000 0.342 0.000 0.915 607 Q CA 0.495 56.458 55.803 0.266 0.000 0.943 607 Q CB 0.013 28.799 28.738 0.079 0.000 1.064 607 Q HN 0.644 nan 8.270 nan 0.000 0.511 608 D N 0.818 121.363 120.400 0.243 0.000 2.661 608 D HA -0.081 4.559 4.640 -0.000 0.000 0.244 608 D C 0.903 177.308 176.300 0.175 0.000 1.196 608 D CA 0.595 54.726 54.000 0.219 0.000 0.881 608 D CB 0.364 41.282 40.800 0.197 0.000 1.141 608 D HN 0.249 nan 8.370 nan 0.000 0.530 609 G N 2.719 111.588 108.800 0.114 0.000 3.233 609 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.234 609 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.234 609 G C 0.160 175.031 174.900 -0.049 0.000 1.137 609 G CA -0.314 44.794 45.100 0.013 0.000 0.763 609 G HN 0.560 nan 8.290 nan 0.000 0.549 610 H N 1.209 120.297 119.070 0.030 0.000 2.899 610 H HA 0.269 4.825 4.556 -0.000 0.000 0.303 610 H C 0.478 175.805 175.328 -0.003 0.000 1.042 610 H CA 0.580 56.644 56.048 0.027 0.000 1.479 610 H CB 1.463 31.252 29.762 0.045 0.000 1.493 610 H HN 0.318 nan 8.280 nan 0.000 0.534 611 D N 1.922 122.381 120.400 0.098 0.000 2.520 611 D HA -0.005 4.635 4.640 -0.000 0.000 0.223 611 D C 1.699 178.013 176.300 0.023 0.000 1.186 611 D CA -0.322 53.700 54.000 0.036 0.000 0.821 611 D CB -0.039 40.758 40.800 -0.006 0.000 1.072 611 D HN 0.395 nan 8.370 nan 0.000 0.518 612 R N 1.122 121.648 120.500 0.044 0.000 2.094 612 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 612 R C 2.171 178.475 176.300 0.008 0.000 1.137 612 R CA 2.238 58.349 56.100 0.019 0.000 0.943 612 R CB -0.752 29.563 30.300 0.025 0.000 0.850 612 R HN 0.240 nan 8.270 nan 0.000 0.433 613 G N 0.304 109.115 108.800 0.019 0.000 2.440 613 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 613 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 613 G C 1.312 176.166 174.900 -0.077 0.000 1.154 613 G CA 0.781 45.871 45.100 -0.018 0.000 0.767 613 G HN 0.478 nan 8.290 nan 0.000 0.552 614 Q N 0.024 119.784 119.800 -0.068 0.000 2.020 614 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 614 Q C 2.464 178.394 176.000 -0.117 0.000 0.982 614 Q CA 1.397 57.138 55.803 -0.104 0.000 0.838 614 Q CB -0.110 28.584 28.738 -0.074 0.000 0.899 614 Q HN 0.209 nan 8.270 nan 0.000 0.423 615 K N 0.207 120.561 120.400 -0.077 0.000 2.057 615 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 615 K C 2.104 178.656 176.600 -0.080 0.000 1.049 615 K CA 0.953 57.199 56.287 -0.067 0.000 0.931 615 K CB -1.002 31.475 32.500 -0.038 0.000 0.714 615 K HN 0.175 nan 8.250 nan 0.000 0.440 616 V N 1.842 121.709 119.914 -0.078 0.000 2.358 616 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 616 V C 2.177 178.160 176.094 -0.185 0.000 1.047 616 V CA 1.192 63.441 62.300 -0.084 0.000 1.035 616 V CB -0.222 31.582 31.823 -0.031 0.000 0.658 616 V HN 0.134 nan 8.190 nan 0.000 0.452 617 I N 0.526 120.946 120.570 -0.250 0.000 2.179 617 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 617 I C 2.780 178.662 176.117 -0.392 0.000 1.088 617 I CA 1.939 62.978 61.300 -0.436 0.000 1.357 617 I CB -1.824 35.843 38.000 -0.554 0.000 1.051 617 I HN 0.382 nan 8.210 nan 0.000 0.409 618 A N 0.149 122.814 122.820 -0.258 0.000 1.859 618 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 618 A C 2.542 180.079 177.584 -0.078 0.000 1.198 618 A CA 2.886 54.829 52.037 -0.158 0.000 0.629 618 A CB -1.314 17.622 19.000 -0.107 0.000 0.830 618 A HN 0.408 nan 8.150 nan 0.000 0.446 619 T N -0.812 113.701 114.554 -0.069 0.000 2.746 619 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 619 T C 1.994 176.678 174.700 -0.028 0.000 1.039 619 T CA 2.091 64.177 62.100 -0.022 0.000 1.142 619 T CB -0.466 68.402 68.868 0.000 0.000 0.866 619 T HN 0.570 nan 8.240 nan 0.000 0.444 620 A N -0.240 122.492 122.820 -0.148 0.000 1.898 620 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 620 A C 2.101 179.665 177.584 -0.034 0.000 1.181 620 A CA 1.369 53.231 52.037 -0.291 0.000 0.620 620 A CB -0.987 17.488 19.000 -0.876 0.000 0.819 620 A HN 0.603 nan 8.150 nan 0.000 0.442 621 Y N -0.041 120.117 120.300 -0.237 0.000 2.242 621 Y HA -0.043 4.507 4.550 -0.000 0.000 0.291 621 Y C 2.931 178.858 175.900 0.045 0.000 1.137 621 Y CA 0.265 58.264 58.100 -0.169 0.000 1.181 621 Y CB -0.959 37.214 38.460 -0.479 0.000 0.989 621 Y HN 0.335 nan 8.280 nan 0.000 0.527 622 A N 0.161 123.073 122.820 0.155 0.000 1.877 622 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 622 A C 1.928 179.575 177.584 0.104 0.000 1.186 622 A CA 1.991 54.102 52.037 0.124 0.000 0.620 622 A CB -0.798 18.247 19.000 0.076 0.000 0.822 622 A HN 0.341 nan 8.150 nan 0.000 0.443 623 D N -0.015 120.439 120.400 0.091 0.000 2.228 623 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 623 D C 1.547 177.900 176.300 0.088 0.000 0.988 623 D CA 0.981 55.038 54.000 0.095 0.000 0.864 623 D CB -0.268 40.613 40.800 0.136 0.000 0.928 623 D HN 0.505 nan 8.370 nan 0.000 0.469 624 L N -1.441 119.836 121.223 0.090 0.000 2.567 624 L HA 0.253 4.593 4.340 -0.000 0.000 0.225 624 L C 1.621 178.494 176.870 0.006 0.000 1.119 624 L CA 0.451 55.325 54.840 0.056 0.000 0.871 624 L CB 0.211 42.297 42.059 0.045 0.000 1.036 624 L HN 0.165 nan 8.230 nan 0.000 0.459 625 G N -0.915 107.905 108.800 0.033 0.000 2.211 625 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.201 625 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.201 625 G C 0.146 175.012 174.900 -0.057 0.000 0.997 625 G CA -0.705 44.371 45.100 -0.039 0.000 0.652 625 G HN 0.073 nan 8.290 nan 0.000 0.500 626 F N 2.153 122.052 119.950 -0.085 0.000 2.496 626 F HA 0.395 4.922 4.527 -0.000 0.000 0.344 626 F C 0.831 176.627 175.800 -0.007 0.000 1.155 626 F CA 0.098 58.056 58.000 -0.070 0.000 1.302 626 F CB 0.516 39.493 39.000 -0.040 0.000 1.159 626 F HN -0.070 nan 8.300 nan 0.000 0.595 627 D N 1.661 122.174 120.400 0.188 0.000 2.249 627 D HA 0.331 4.971 4.640 -0.000 0.000 0.246 627 D C -0.725 175.674 176.300 0.165 0.000 1.114 627 D CA 0.090 54.175 54.000 0.142 0.000 0.854 627 D CB 1.658 42.524 40.800 0.109 0.000 1.132 627 D HN 0.046 nan 8.370 nan 0.000 0.461 628 V N 3.547 123.531 119.914 0.117 0.000 2.487 628 V HA 0.241 4.361 4.120 -0.000 0.000 0.298 628 V C -0.048 176.071 176.094 0.042 0.000 1.028 628 V CA -0.839 61.510 62.300 0.080 0.000 0.860 628 V CB 2.208 34.063 31.823 0.052 0.000 0.991 628 V HN 0.391 nan 8.190 nan 0.000 0.427 629 D N 3.136 123.552 120.400 0.026 0.000 2.217 629 D HA 0.437 5.077 4.640 -0.000 0.000 0.243 629 D C -0.790 175.502 176.300 -0.013 0.000 1.054 629 D CA -0.251 53.755 54.000 0.010 0.000 0.838 629 D CB 2.881 43.688 40.800 0.012 0.000 1.162 629 D HN 0.263 nan 8.370 nan 0.000 0.472 630 V N 2.127 122.030 119.914 -0.019 0.000 2.348 630 V HA 0.367 4.487 4.120 -0.000 0.000 0.270 630 V C 1.074 177.149 176.094 -0.033 0.000 1.037 630 V CA -0.688 61.591 62.300 -0.035 0.000 0.872 630 V CB 1.196 32.997 31.823 -0.036 0.000 1.002 630 V HN 0.580 nan 8.190 nan 0.000 0.464 631 G N 6.428 115.204 108.800 -0.039 0.000 2.569 631 G HA2 0.474 4.434 3.960 -0.000 0.000 0.249 631 G HA3 0.474 4.434 3.960 -0.000 0.000 0.249 631 G C -2.388 172.480 174.900 -0.053 0.000 1.216 631 G CA -0.871 44.206 45.100 -0.037 0.000 0.845 631 G HN 0.570 nan 8.290 nan 0.000 0.568 632 P HA 0.228 nan 4.420 nan 0.000 0.277 632 P C 0.291 177.504 177.300 -0.145 0.000 1.240 632 P CA -0.484 62.569 63.100 -0.078 0.000 0.798 632 P CB 1.292 32.967 31.700 -0.042 0.000 0.979 633 L N 1.700 122.756 121.223 -0.278 0.000 2.473 633 L HA 0.066 4.406 4.340 -0.000 0.000 0.265 633 L C 0.742 177.314 176.870 -0.497 0.000 1.243 633 L CA -0.027 54.469 54.840 -0.574 0.000 0.822 633 L CB -0.732 40.598 42.059 -1.215 0.000 1.101 633 L HN 0.384 nan 8.230 nan 0.000 0.507 634 F N -1.453 118.514 119.950 0.029 0.000 3.057 634 F HA -0.242 4.285 4.527 -0.000 0.000 0.287 634 F C 0.655 176.464 175.800 0.015 0.000 0.834 634 F CA 0.177 58.191 58.000 0.023 0.000 1.147 634 F CB -2.570 36.450 39.000 0.034 0.000 1.245 634 F HN 0.524 nan 8.300 nan 0.000 0.509 635 Q N 0.268 120.120 119.800 0.087 0.000 2.306 635 Q HA 0.470 4.810 4.340 -0.000 0.000 0.241 635 Q C 1.079 177.113 176.000 0.058 0.000 0.948 635 Q CA 0.273 56.114 55.803 0.063 0.000 0.886 635 Q CB 1.343 30.096 28.738 0.026 0.000 1.227 635 Q HN 0.425 nan 8.270 nan 0.000 0.457 636 T N -1.791 112.788 114.554 0.041 0.000 2.732 636 T HA 0.173 4.523 4.350 -0.000 0.000 0.287 636 T C -1.938 172.776 174.700 0.023 0.000 0.993 636 T CA -1.557 60.558 62.100 0.026 0.000 0.966 636 T CB 0.238 69.114 68.868 0.014 0.000 1.047 636 T HN 0.330 nan 8.240 nan 0.000 0.527 637 P HA 0.026 nan 4.420 nan 0.000 0.223 637 P C 1.261 178.569 177.300 0.014 0.000 1.151 637 P CA 0.768 63.877 63.100 0.016 0.000 0.787 637 P CB 0.084 31.793 31.700 0.015 0.000 0.788 638 E N 0.183 120.390 120.200 0.012 0.000 2.112 638 E HA -0.151 4.198 4.350 -0.000 0.000 0.190 638 E C 1.806 178.414 176.600 0.012 0.000 0.979 638 E CA 0.709 57.115 56.400 0.011 0.000 0.814 638 E CB -0.070 29.635 29.700 0.009 0.000 0.762 638 E HN 0.175 nan 8.360 nan 0.000 0.460 639 E N -0.454 119.755 120.200 0.014 0.000 2.072 639 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 639 E C 1.960 178.568 176.600 0.013 0.000 0.985 639 E CA 1.670 58.080 56.400 0.016 0.000 0.801 639 E CB 0.138 29.851 29.700 0.022 0.000 0.750 639 E HN 0.198 nan 8.360 nan 0.000 0.452 640 T N 0.703 115.265 114.554 0.013 0.000 2.674 640 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 640 T C 1.960 176.667 174.700 0.011 0.000 1.039 640 T CA 1.184 63.291 62.100 0.010 0.000 1.150 640 T CB -0.375 68.499 68.868 0.011 0.000 0.864 640 T HN 0.255 nan 8.240 nan 0.000 0.427 641 A N 1.961 124.788 122.820 0.012 0.000 1.869 641 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 641 A C 2.285 179.875 177.584 0.010 0.000 1.203 641 A CA 2.413 54.457 52.037 0.011 0.000 0.638 641 A CB -0.769 18.237 19.000 0.011 0.000 0.831 641 A HN 0.467 nan 8.150 nan 0.000 0.450 642 R N -0.592 119.913 120.500 0.009 0.000 2.096 642 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 642 R C 2.438 178.742 176.300 0.007 0.000 1.127 642 R CA 1.940 58.044 56.100 0.008 0.000 0.968 642 R CB -0.330 29.975 30.300 0.008 0.000 0.861 642 R HN 0.743 nan 8.270 nan 0.000 0.440 643 Q N -0.406 119.398 119.800 0.007 0.000 2.119 643 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 643 Q C 1.874 177.878 176.000 0.006 0.000 0.972 643 Q CA 1.560 57.366 55.803 0.006 0.000 0.847 643 Q CB -0.113 28.628 28.738 0.005 0.000 0.903 643 Q HN 0.466 nan 8.270 nan 0.000 0.433 644 A N -0.143 122.682 122.820 0.008 0.000 1.898 644 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 644 A C 2.170 179.756 177.584 0.004 0.000 1.181 644 A CA 1.520 53.562 52.037 0.009 0.000 0.620 644 A CB -0.634 18.374 19.000 0.013 0.000 0.819 644 A HN 0.301 nan 8.150 nan 0.000 0.442 645 V N 0.134 120.050 119.914 0.003 0.000 2.323 645 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 645 V C 2.290 178.382 176.094 -0.002 0.000 1.041 645 V CA 2.057 64.357 62.300 -0.001 0.000 1.025 645 V CB -0.867 30.957 31.823 0.002 0.000 0.656 645 V HN 0.627 nan 8.190 nan 0.000 0.451 646 E N 0.454 120.655 120.200 0.000 0.000 2.265 646 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 646 E C 2.003 178.603 176.600 0.000 0.000 0.996 646 E CA 1.216 57.617 56.400 0.001 0.000 0.832 646 E CB -0.198 29.504 29.700 0.003 0.000 0.756 646 E HN 0.605 nan 8.360 nan 0.000 0.491 647 A N 1.014 123.834 122.820 0.001 0.000 2.267 647 A HA 0.009 4.329 4.320 -0.000 0.000 0.213 647 A C 0.306 177.886 177.584 -0.006 0.000 1.192 647 A CA 0.202 52.240 52.037 0.002 0.000 0.851 647 A CB 0.247 19.253 19.000 0.009 0.000 0.881 647 A HN 0.190 nan 8.150 nan 0.000 0.494 648 D N -0.174 120.215 120.400 -0.017 0.000 2.927 648 D HA -0.122 4.518 4.640 -0.000 0.000 0.236 648 D C 0.147 176.403 176.300 -0.074 0.000 1.163 648 D CA 0.808 54.782 54.000 -0.044 0.000 0.801 648 D CB -1.561 39.207 40.800 -0.053 0.000 0.975 648 D HN 0.820 nan 8.370 nan 0.000 0.413 649 V N -0.315 119.576 119.914 -0.039 0.000 3.036 649 V HA 0.483 4.603 4.120 -0.000 0.000 0.308 649 V C 1.540 177.597 176.094 -0.062 0.000 1.070 649 V CA -0.002 62.289 62.300 -0.015 0.000 1.056 649 V CB 1.421 33.271 31.823 0.046 0.000 1.084 649 V HN 0.325 nan 8.190 nan 0.000 0.471 650 H N 1.316 120.445 119.070 0.099 0.000 2.448 650 H HA 0.454 5.010 4.556 -0.000 0.000 0.292 650 H C 0.548 175.934 175.328 0.097 0.000 1.035 650 H CA 1.514 57.632 56.048 0.118 0.000 1.349 650 H CB 0.567 30.430 29.762 0.168 0.000 1.425 650 H HN 0.505 nan 8.280 nan 0.000 0.539 651 V N 0.445 120.486 119.914 0.211 0.000 2.971 651 V HA 0.392 4.512 4.120 -0.000 0.000 0.309 651 V C -1.361 174.787 176.094 0.090 0.000 1.130 651 V CA -0.993 61.392 62.300 0.140 0.000 0.964 651 V CB 2.374 34.288 31.823 0.153 0.000 1.029 651 V HN -0.107 nan 8.190 nan 0.000 0.427 652 V N 5.442 125.392 119.914 0.060 0.000 2.333 652 V HA 0.614 4.734 4.120 -0.000 0.000 0.274 652 V C 0.860 176.967 176.094 0.021 0.000 1.028 652 V CA 0.208 62.527 62.300 0.033 0.000 0.851 652 V CB 1.227 33.064 31.823 0.024 0.000 1.000 652 V HN 1.065 nan 8.190 nan 0.000 0.456 653 G N 4.445 113.242 108.800 -0.005 0.000 2.475 653 G HA2 0.467 4.427 3.960 -0.000 0.000 0.322 653 G HA3 0.467 4.427 3.960 -0.000 0.000 0.322 653 G C -0.393 174.486 174.900 -0.035 0.000 1.044 653 G CA -0.269 44.816 45.100 -0.024 0.000 1.047 653 G HN 0.515 nan 8.290 nan 0.000 0.436 654 V N 2.058 121.965 119.914 -0.012 0.000 2.508 654 V HA 0.291 4.411 4.120 -0.000 0.000 0.281 654 V C 0.723 176.805 176.094 -0.019 0.000 1.041 654 V CA -0.067 62.227 62.300 -0.010 0.000 1.016 654 V CB 1.511 33.339 31.823 0.008 0.000 0.984 654 V HN 0.624 nan 8.190 nan 0.000 0.478 655 S N 4.005 119.690 115.700 -0.025 0.000 2.461 655 S HA 0.436 4.906 4.470 -0.000 0.000 0.322 655 S C -0.219 174.377 174.600 -0.006 0.000 1.063 655 S CA -0.368 57.814 58.200 -0.030 0.000 1.120 655 S CB 0.763 63.935 63.200 -0.047 0.000 0.968 655 S HN 0.827 nan 8.310 nan 0.000 0.467 656 S N 4.913 120.608 115.700 -0.008 0.000 2.640 656 S HA 0.577 5.047 4.470 -0.000 0.000 0.320 656 S C -0.216 174.376 174.600 -0.013 0.000 1.097 656 S CA -0.644 57.569 58.200 0.021 0.000 1.092 656 S CB 0.483 63.717 63.200 0.057 0.000 0.988 656 S HN 0.692 nan 8.310 nan 0.000 0.470 657 L N 4.288 125.497 121.223 -0.023 0.000 2.966 657 L HA 0.515 4.855 4.340 -0.000 0.000 0.262 657 L C 1.709 178.547 176.870 -0.054 0.000 1.165 657 L CA 0.404 55.151 54.840 -0.155 0.000 0.978 657 L CB 0.414 42.150 42.059 -0.537 0.000 1.337 657 L HN 0.743 nan 8.230 nan 0.000 0.563 658 A N -0.518 122.368 122.820 0.109 0.000 2.387 658 A HA 0.561 4.881 4.320 -0.000 0.000 0.234 658 A C 1.648 179.325 177.584 0.156 0.000 1.253 658 A CA 0.457 52.598 52.037 0.174 0.000 0.894 658 A CB -0.355 18.774 19.000 0.215 0.000 0.963 658 A HN 0.402 nan 8.150 nan 0.000 0.508 659 G N -1.593 107.320 108.800 0.189 0.000 2.143 659 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.248 659 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.248 659 G C 0.960 175.912 174.900 0.088 0.000 0.991 659 G CA 0.365 45.599 45.100 0.223 0.000 0.689 659 G HN 1.341 nan 8.290 nan 0.000 0.522 660 G N -0.007 108.865 108.800 0.119 0.000 3.189 660 G HA2 0.338 4.298 3.960 -0.000 0.000 0.225 660 G HA3 0.338 4.298 3.960 -0.000 0.000 0.225 660 G C 1.271 176.169 174.900 -0.002 0.000 1.159 660 G CA 1.033 46.145 45.100 0.020 0.000 0.763 660 G HN 0.811 nan 8.290 nan 0.000 0.549 661 H N 1.001 120.091 119.070 0.033 0.000 2.289 661 H HA -0.113 4.443 4.556 -0.000 0.000 0.296 661 H C 2.259 177.601 175.328 0.024 0.000 1.091 661 H CA 1.017 57.081 56.048 0.026 0.000 1.274 661 H CB -0.967 28.812 29.762 0.028 0.000 1.364 661 H HN 0.282 nan 8.280 nan 0.000 0.490 662 L N 1.059 122.106 121.223 -0.293 0.000 2.043 662 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 662 L C 2.990 179.819 176.870 -0.068 0.000 1.075 662 L CA 2.468 57.219 54.840 -0.148 0.000 0.752 662 L CB -0.901 41.034 42.059 -0.207 0.000 0.891 662 L HN 0.530 nan 8.230 nan 0.000 0.432 663 T N -2.487 112.030 114.554 -0.063 0.000 2.809 663 T HA -0.055 4.295 4.350 -0.000 0.000 0.260 663 T C 1.929 176.627 174.700 -0.003 0.000 1.039 663 T CA 0.479 62.563 62.100 -0.026 0.000 1.141 663 T CB -0.549 68.304 68.868 -0.025 0.000 0.869 663 T HN 0.157 nan 8.240 nan 0.000 0.437 664 L N 0.898 122.126 121.223 0.009 0.000 2.012 664 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 664 L C 2.947 179.836 176.870 0.031 0.000 1.073 664 L CA 1.111 55.968 54.840 0.027 0.000 0.748 664 L CB -0.746 41.341 42.059 0.048 0.000 0.891 664 L HN 0.169 nan 8.230 nan 0.000 0.431 665 V N 0.102 120.041 119.914 0.042 0.000 2.307 665 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 665 V C -0.195 175.914 176.094 0.026 0.000 1.045 665 V CA 1.975 64.298 62.300 0.038 0.000 1.024 665 V CB -1.705 30.151 31.823 0.055 0.000 0.651 665 V HN 0.376 nan 8.190 nan 0.000 0.449 666 P HA -0.112 nan 4.420 nan 0.000 0.217 666 P C 1.669 178.976 177.300 0.013 0.000 1.151 666 P CA 2.051 65.160 63.100 0.015 0.000 0.828 666 P CB -0.087 31.619 31.700 0.011 0.000 0.788 667 A N 0.557 123.384 122.820 0.011 0.000 1.908 667 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 667 A C 2.398 179.989 177.584 0.012 0.000 1.181 667 A CA 1.395 53.438 52.037 0.010 0.000 0.627 667 A CB -1.700 17.305 19.000 0.008 0.000 0.818 667 A HN 0.150 nan 8.150 nan 0.000 0.445 668 L N -1.350 119.883 121.223 0.016 0.000 2.017 668 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 668 L C 2.761 179.640 176.870 0.016 0.000 1.073 668 L CA 1.976 56.826 54.840 0.016 0.000 0.745 668 L CB -0.384 41.686 42.059 0.019 0.000 0.894 668 L HN 0.364 nan 8.230 nan 0.000 0.432 669 R N 0.598 121.107 120.500 0.016 0.000 2.096 669 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 669 R C 2.352 178.661 176.300 0.014 0.000 1.139 669 R CA 2.021 58.131 56.100 0.016 0.000 0.952 669 R CB -0.720 29.590 30.300 0.015 0.000 0.854 669 R HN 0.101 nan 8.270 nan 0.000 0.436 670 K N 0.377 120.784 120.400 0.012 0.000 2.217 670 K HA 0.040 4.360 4.320 -0.000 0.000 0.202 670 K C 1.957 178.563 176.600 0.010 0.000 1.051 670 K CA 1.094 57.388 56.287 0.010 0.000 0.952 670 K CB -0.167 32.338 32.500 0.009 0.000 0.736 670 K HN 0.356 nan 8.250 nan 0.000 0.453 671 E N 0.526 120.733 120.200 0.010 0.000 2.107 671 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 671 E C 2.061 178.667 176.600 0.011 0.000 0.982 671 E CA 0.778 57.184 56.400 0.010 0.000 0.809 671 E CB -0.130 29.576 29.700 0.010 0.000 0.756 671 E HN 0.349 nan 8.360 nan 0.000 0.459 672 L N 1.123 122.353 121.223 0.013 0.000 2.005 672 L HA -0.212 4.127 4.340 -0.000 0.000 0.207 672 L C 2.070 178.947 176.870 0.013 0.000 1.072 672 L CA 1.244 56.092 54.840 0.014 0.000 0.744 672 L CB -0.387 41.683 42.059 0.017 0.000 0.895 672 L HN -0.010 nan 8.230 nan 0.000 0.433 673 D N 0.112 120.520 120.400 0.013 0.000 2.104 673 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 673 D C 2.052 178.358 176.300 0.010 0.000 0.994 673 D CA 1.329 55.336 54.000 0.012 0.000 0.830 673 D CB -0.157 40.650 40.800 0.012 0.000 0.959 673 D HN 0.202 nan 8.370 nan 0.000 0.452 674 K N 0.386 120.791 120.400 0.009 0.000 2.147 674 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 674 K C 1.757 178.362 176.600 0.007 0.000 1.049 674 K CA 0.715 57.007 56.287 0.007 0.000 0.936 674 K CB -0.099 32.405 32.500 0.007 0.000 0.722 674 K HN 0.128 nan 8.250 nan 0.000 0.446 675 L N 0.009 121.237 121.223 0.007 0.000 2.599 675 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 675 L C 0.765 177.639 176.870 0.006 0.000 1.141 675 L CA 0.481 55.325 54.840 0.007 0.000 0.877 675 L CB 0.001 42.064 42.059 0.007 0.000 1.009 675 L HN 0.634 nan 8.230 nan 0.000 0.447 676 G N 0.801 109.605 108.800 0.007 0.000 2.149 676 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 676 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 676 G C -0.031 174.875 174.900 0.009 0.000 1.018 676 G CA -0.393 44.711 45.100 0.007 0.000 0.728 676 G HN 0.216 nan 8.290 nan 0.000 0.508 677 R N -0.370 120.136 120.500 0.011 0.000 2.576 677 R HA 0.358 4.698 4.340 -0.000 0.000 0.283 677 R C -2.278 174.033 176.300 0.018 0.000 1.493 677 R CA -1.639 54.469 56.100 0.013 0.000 1.170 677 R CB 1.891 32.197 30.300 0.010 0.000 1.189 677 R HN 0.217 nan 8.270 nan 0.000 0.542 678 P HA 0.044 nan 4.420 nan 0.000 0.267 678 P C 0.357 177.675 177.300 0.031 0.000 1.289 678 P CA 0.255 63.369 63.100 0.023 0.000 0.866 678 P CB 0.542 32.254 31.700 0.019 0.000 1.309 679 D N 0.174 120.595 120.400 0.035 0.000 2.249 679 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 679 D C 0.773 177.111 176.300 0.064 0.000 0.962 679 D CA 0.131 54.160 54.000 0.048 0.000 0.860 679 D CB -0.414 40.412 40.800 0.043 0.000 0.955 679 D HN 0.181 nan 8.370 nan 0.000 0.505 680 I N 2.393 122.994 120.570 0.052 0.000 2.494 680 I HA 0.025 4.195 4.170 -0.000 0.000 0.289 680 I C 0.720 176.877 176.117 0.067 0.000 1.106 680 I CA -0.233 61.105 61.300 0.063 0.000 1.369 680 I CB 0.524 38.549 38.000 0.042 0.000 1.410 680 I HN -0.085 nan 8.210 nan 0.000 0.523 681 L N 7.186 128.464 121.223 0.091 0.000 2.466 681 L HA 0.427 4.767 4.340 -0.000 0.000 0.257 681 L C -0.025 176.881 176.870 0.060 0.000 1.189 681 L CA -0.493 54.391 54.840 0.073 0.000 0.813 681 L CB 0.710 42.820 42.059 0.085 0.000 1.118 681 L HN 0.463 nan 8.230 nan 0.000 0.471 682 I N 0.584 121.178 120.570 0.040 0.000 2.406 682 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 682 I C 0.089 176.216 176.117 0.016 0.000 0.999 682 I CA -0.247 61.069 61.300 0.028 0.000 1.124 682 I CB 1.995 40.005 38.000 0.017 0.000 1.289 682 I HN 0.657 nan 8.210 nan 0.000 0.441 683 T N 3.047 117.617 114.554 0.027 0.000 2.940 683 T HA 0.814 5.164 4.350 -0.000 0.000 0.288 683 T C -0.532 174.164 174.700 -0.007 0.000 1.033 683 T CA -0.772 61.335 62.100 0.011 0.000 1.033 683 T CB 2.087 71.030 68.868 0.125 0.000 1.079 683 T HN 0.208 nan 8.240 nan 0.000 0.496 684 V N 0.674 120.551 119.914 -0.061 0.000 2.577 684 V HA 0.832 4.952 4.120 -0.000 0.000 0.303 684 V C 0.477 176.535 176.094 -0.059 0.000 1.042 684 V CA -0.578 61.689 62.300 -0.056 0.000 0.872 684 V CB 1.418 33.192 31.823 -0.082 0.000 0.998 684 V HN 1.371 nan 8.190 nan 0.000 0.423 685 G N 1.261 110.055 108.800 -0.010 0.000 2.730 685 G HA2 0.940 4.900 3.960 -0.000 0.000 0.289 685 G HA3 0.940 4.900 3.960 -0.000 0.000 0.289 685 G C -0.098 174.778 174.900 -0.040 0.000 1.341 685 G CA -0.044 45.063 45.100 0.011 0.000 0.932 685 G HN 1.575 nan 8.290 nan 0.000 0.481 686 G N -2.080 106.700 108.800 -0.033 0.000 2.337 686 G HA2 0.195 4.155 3.960 -0.000 0.000 0.197 686 G HA3 0.195 4.155 3.960 -0.000 0.000 0.197 686 G C -0.920 173.943 174.900 -0.062 0.000 1.238 686 G CA -0.074 44.993 45.100 -0.054 0.000 1.119 686 G HN 1.449 nan 8.290 nan 0.000 0.514 687 V N 1.301 121.166 119.914 -0.082 0.000 2.338 687 V HA 0.565 4.685 4.120 -0.000 0.000 0.255 687 V C 0.236 176.272 176.094 -0.097 0.000 1.082 687 V CA 0.336 62.599 62.300 -0.062 0.000 0.951 687 V CB -0.095 31.696 31.823 -0.054 0.000 1.102 687 V HN 0.543 nan 8.190 nan 0.000 0.489 688 I N 6.756 127.276 120.570 -0.084 0.000 2.529 688 I HA 0.356 4.526 4.170 -0.000 0.000 0.284 688 I C -2.579 173.587 176.117 0.083 0.000 1.088 688 I CA -1.811 59.398 61.300 -0.152 0.000 1.062 688 I CB 2.636 40.509 38.000 -0.211 0.000 1.218 688 I HN 0.377 nan 8.210 nan 0.000 0.442 689 P HA -0.033 nan 4.420 nan 0.000 0.264 689 P C 0.731 177.868 177.300 -0.271 0.000 1.183 689 P CA 0.172 63.248 63.100 -0.041 0.000 0.763 689 P CB 0.734 32.444 31.700 0.016 0.000 0.807 690 E N 2.432 122.273 120.200 -0.599 0.000 2.209 690 E HA -0.287 4.062 4.350 -0.000 0.000 0.196 690 E C 1.143 177.271 176.600 -0.786 0.000 0.993 690 E CA 1.257 56.850 56.400 -1.344 0.000 0.819 690 E CB 0.006 29.205 29.700 -0.835 0.000 0.745 690 E HN 0.441 nan 8.360 nan 0.000 0.477 691 Q N 0.517 120.119 119.800 -0.331 0.000 2.112 691 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 691 Q C 1.229 177.210 176.000 -0.031 0.000 0.987 691 Q CA 1.819 57.539 55.803 -0.137 0.000 0.858 691 Q CB -0.002 28.691 28.738 -0.075 0.000 0.905 691 Q HN 0.273 nan 8.270 nan 0.000 0.420 692 D N -0.703 119.724 120.400 0.045 0.000 2.324 692 D HA -0.019 4.621 4.640 -0.000 0.000 0.235 692 D C 0.520 177.003 176.300 0.304 0.000 1.095 692 D CA 0.294 54.403 54.000 0.182 0.000 0.871 692 D CB 0.059 41.042 40.800 0.307 0.000 0.906 692 D HN 0.134 nan 8.370 nan 0.000 0.522 693 F N 0.864 120.830 119.950 0.027 0.000 2.270 693 F HA 0.017 4.544 4.527 -0.000 0.000 0.295 693 F C 1.749 177.549 175.800 0.000 0.000 1.087 693 F CA 0.439 58.440 58.000 0.001 0.000 1.365 693 F CB -0.576 38.414 39.000 -0.017 0.000 1.056 693 F HN -0.080 nan 8.300 nan 0.000 0.506 694 D N -0.198 120.326 120.400 0.207 0.000 2.097 694 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 694 D C 2.145 178.493 176.300 0.079 0.000 0.984 694 D CA 1.238 55.303 54.000 0.109 0.000 0.826 694 D CB -0.297 40.551 40.800 0.079 0.000 0.973 694 D HN 0.265 nan 8.370 nan 0.000 0.460 695 E N 0.407 120.657 120.200 0.083 0.000 2.023 695 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 695 E C 2.135 178.773 176.600 0.063 0.000 1.003 695 E CA 0.738 57.176 56.400 0.064 0.000 0.809 695 E CB -0.178 29.560 29.700 0.063 0.000 0.755 695 E HN 0.200 nan 8.360 nan 0.000 0.449 696 L N 0.301 121.577 121.223 0.089 0.000 2.021 696 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 696 L C 2.792 179.671 176.870 0.015 0.000 1.074 696 L CA 1.696 56.571 54.840 0.059 0.000 0.760 696 L CB -0.374 41.721 42.059 0.061 0.000 0.889 696 L HN 0.158 nan 8.230 nan 0.000 0.433 697 R N -0.758 119.746 120.500 0.006 0.000 2.096 697 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 697 R C 2.490 178.792 176.300 0.004 0.000 1.127 697 R CA 1.299 57.393 56.100 -0.010 0.000 0.968 697 R CB -0.319 29.976 30.300 -0.009 0.000 0.861 697 R HN 0.122 nan 8.270 nan 0.000 0.440 698 K N 0.440 120.850 120.400 0.016 0.000 2.148 698 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 698 K C 1.243 177.852 176.600 0.015 0.000 1.050 698 K CA 1.386 57.683 56.287 0.016 0.000 0.942 698 K CB -0.330 32.183 32.500 0.020 0.000 0.724 698 K HN 0.286 nan 8.250 nan 0.000 0.446 699 D N -1.219 119.191 120.400 0.018 0.000 2.363 699 D HA 0.095 4.735 4.640 -0.000 0.000 0.226 699 D C 1.245 177.553 176.300 0.013 0.000 1.020 699 D CA 1.067 55.077 54.000 0.017 0.000 0.892 699 D CB 0.525 41.340 40.800 0.025 0.000 0.900 699 D HN 0.507 nan 8.370 nan 0.000 0.531 700 G N -0.191 108.613 108.800 0.008 0.000 2.336 700 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.194 700 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.194 700 G C 0.532 175.429 174.900 -0.006 0.000 0.999 700 G CA -0.047 45.056 45.100 0.006 0.000 0.669 700 G HN 0.502 nan 8.290 nan 0.000 0.482 701 A N 1.260 124.068 122.820 -0.021 0.000 2.476 701 A HA 0.596 4.916 4.320 -0.000 0.000 0.275 701 A C 1.830 179.372 177.584 -0.070 0.000 1.133 701 A CA 0.843 52.847 52.037 -0.055 0.000 0.797 701 A CB 0.385 19.330 19.000 -0.092 0.000 1.081 701 A HN 1.645 nan 8.150 nan 0.000 0.510 702 V N -0.049 119.829 119.914 -0.059 0.000 2.488 702 V HA 0.112 4.232 4.120 -0.000 0.000 0.246 702 V C 0.472 176.496 176.094 -0.116 0.000 1.046 702 V CA 1.137 63.405 62.300 -0.054 0.000 1.053 702 V CB -0.520 31.299 31.823 -0.006 0.000 0.679 702 V HN 0.688 nan 8.190 nan 0.000 0.458 703 E N 0.002 120.081 120.200 -0.202 0.000 2.293 703 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 703 E C -1.409 174.806 176.600 -0.641 0.000 0.879 703 E CA -0.537 55.604 56.400 -0.432 0.000 0.756 703 E CB 2.993 32.424 29.700 -0.448 0.000 1.208 703 E HN 0.383 nan 8.360 nan 0.000 0.428 704 I N 2.529 122.629 120.570 -0.783 0.000 2.410 704 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 704 I C -1.283 174.391 176.117 -0.739 0.000 1.009 704 I CA -0.717 60.145 61.300 -0.730 0.000 1.111 704 I CB 0.891 38.390 38.000 -0.835 0.000 1.262 704 I HN 0.319 nan 8.210 nan 0.000 0.443 705 Y N 4.336 124.520 120.300 -0.192 0.000 2.328 705 Y HA 0.513 5.063 4.550 -0.000 0.000 0.333 705 Y C 0.644 176.488 175.900 -0.093 0.000 0.958 705 Y CA -1.011 57.018 58.100 -0.119 0.000 1.167 705 Y CB 1.715 40.120 38.460 -0.092 0.000 1.151 705 Y HN 0.522 nan 8.280 nan 0.000 0.470 706 T N 0.213 114.818 114.554 0.085 0.000 2.938 706 T HA 0.624 4.974 4.350 -0.000 0.000 0.285 706 T C -2.873 171.863 174.700 0.060 0.000 1.028 706 T CA -2.981 59.159 62.100 0.068 0.000 1.005 706 T CB 1.542 70.486 68.868 0.127 0.000 1.157 706 T HN 0.117 nan 8.240 nan 0.000 0.550 707 P HA 0.275 nan 4.420 nan 0.000 0.263 707 P C 1.076 178.386 177.300 0.016 0.000 1.175 707 P CA 1.331 64.439 63.100 0.013 0.000 0.761 707 P CB -0.023 31.670 31.700 -0.011 0.000 0.794 708 G N 1.243 110.048 108.800 0.008 0.000 2.195 708 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.224 708 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.224 708 G C 0.350 175.271 174.900 0.036 0.000 0.990 708 G CA -0.034 45.074 45.100 0.012 0.000 0.639 708 G HN 0.630 nan 8.290 nan 0.000 0.514 709 T N 1.574 116.155 114.554 0.044 0.000 2.908 709 T HA 0.377 4.727 4.350 -0.000 0.000 0.301 709 T C 0.740 175.459 174.700 0.032 0.000 1.019 709 T CA 0.375 62.504 62.100 0.048 0.000 1.152 709 T CB 1.637 70.529 68.868 0.040 0.000 0.966 709 T HN 0.491 nan 8.240 nan 0.000 0.540 710 V N 6.457 126.395 119.914 0.039 0.000 2.432 710 V HA 0.153 4.273 4.120 -0.000 0.000 0.271 710 V C 1.722 177.837 176.094 0.036 0.000 1.046 710 V CA -0.258 62.076 62.300 0.057 0.000 0.945 710 V CB 0.679 32.539 31.823 0.062 0.000 0.992 710 V HN 0.850 nan 8.190 nan 0.000 0.471 711 I N 6.547 127.146 120.570 0.049 0.000 2.118 711 I HA -0.142 4.028 4.170 -0.000 0.000 0.241 711 I C -0.189 175.943 176.117 0.026 0.000 1.070 711 I CA 1.678 62.974 61.300 -0.007 0.000 1.327 711 I CB -1.176 36.738 38.000 -0.144 0.000 1.034 711 I HN 0.559 nan 8.210 nan 0.000 0.405 712 P HA -0.172 nan 4.420 nan 0.000 0.217 712 P C 1.407 178.714 177.300 0.012 0.000 1.150 712 P CA 1.575 64.697 63.100 0.037 0.000 0.832 712 P CB -0.044 31.709 31.700 0.089 0.000 0.787 713 E N 0.327 120.543 120.200 0.026 0.000 2.058 713 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 713 E C 2.321 178.928 176.600 0.013 0.000 0.997 713 E CA 2.120 58.537 56.400 0.027 0.000 0.801 713 E CB -0.283 29.443 29.700 0.042 0.000 0.746 713 E HN 0.319 nan 8.360 nan 0.000 0.450 714 S N 0.514 116.183 115.700 -0.052 0.000 2.368 714 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 714 S C 2.240 176.788 174.600 -0.086 0.000 1.029 714 S CA 0.906 59.000 58.200 -0.176 0.000 0.988 714 S CB -0.296 62.508 63.200 -0.659 0.000 0.838 714 S HN 0.309 nan 8.310 nan 0.000 0.462 715 A N 2.332 125.088 122.820 -0.107 0.000 1.892 715 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 715 A C 2.234 179.810 177.584 -0.013 0.000 1.188 715 A CA 1.849 53.782 52.037 -0.174 0.000 0.631 715 A CB -1.037 17.788 19.000 -0.292 0.000 0.822 715 A HN 0.609 nan 8.150 nan 0.000 0.447 716 I N 0.537 121.105 120.570 -0.004 0.000 2.163 716 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 716 I C 2.887 179.034 176.117 0.051 0.000 1.085 716 I CA 1.805 63.116 61.300 0.018 0.000 1.347 716 I CB -0.281 37.731 38.000 0.020 0.000 1.044 716 I HN 0.523 nan 8.210 nan 0.000 0.408 717 S N 0.735 116.485 115.700 0.084 0.000 2.414 717 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 717 S C 1.940 176.627 174.600 0.144 0.000 1.022 717 S CA 0.490 58.761 58.200 0.118 0.000 0.958 717 S CB -0.627 62.663 63.200 0.150 0.000 0.797 717 S HN 0.343 nan 8.310 nan 0.000 0.493 718 L N 2.064 123.391 121.223 0.173 0.000 1.976 718 L HA 0.048 4.388 4.340 -0.000 0.000 0.209 718 L C 2.502 179.444 176.870 0.120 0.000 1.071 718 L CA 1.584 56.534 54.840 0.184 0.000 0.746 718 L CB -0.953 41.224 42.059 0.197 0.000 0.890 718 L HN 0.200 nan 8.230 nan 0.000 0.432 719 V N 0.058 120.019 119.914 0.078 0.000 2.252 719 V HA -0.380 3.740 4.120 -0.000 0.000 0.249 719 V C 2.738 178.878 176.094 0.077 0.000 1.056 719 V CA 2.351 64.643 62.300 -0.014 0.000 1.022 719 V CB -0.650 31.107 31.823 -0.110 0.000 0.641 719 V HN 0.523 nan 8.190 nan 0.000 0.445 720 K N -0.466 119.979 120.400 0.075 0.000 2.103 720 K HA -0.279 4.040 4.320 -0.000 0.000 0.207 720 K C 2.254 178.905 176.600 0.084 0.000 1.048 720 K CA 1.775 58.108 56.287 0.078 0.000 0.930 720 K CB -0.122 32.415 32.500 0.060 0.000 0.716 720 K HN 0.194 nan 8.250 nan 0.000 0.444 721 K N 0.989 121.442 120.400 0.088 0.000 2.026 721 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 721 K C 1.876 178.537 176.600 0.103 0.000 1.048 721 K CA 1.189 57.527 56.287 0.085 0.000 0.929 721 K CB -0.253 32.297 32.500 0.083 0.000 0.713 721 K HN 0.109 nan 8.250 nan 0.000 0.439 722 L N 0.173 121.476 121.223 0.135 0.000 2.017 722 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 722 L C 2.509 179.508 176.870 0.214 0.000 1.073 722 L CA 1.181 56.135 54.840 0.190 0.000 0.745 722 L CB -0.387 41.792 42.059 0.199 0.000 0.894 722 L HN 0.172 nan 8.230 nan 0.000 0.432 723 R N 0.157 120.788 120.500 0.219 0.000 2.080 723 R HA -0.156 4.184 4.340 -0.000 0.000 0.236 723 R C 2.289 178.620 176.300 0.051 0.000 1.137 723 R CA 1.653 57.816 56.100 0.105 0.000 0.943 723 R CB -1.064 29.292 30.300 0.093 0.000 0.846 723 R HN 0.368 nan 8.270 nan 0.000 0.431 724 A N 0.647 123.502 122.820 0.057 0.000 1.892 724 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 724 A C 2.396 180.004 177.584 0.039 0.000 1.188 724 A CA 2.421 54.481 52.037 0.039 0.000 0.631 724 A CB -0.772 18.252 19.000 0.040 0.000 0.822 724 A HN 0.447 nan 8.150 nan 0.000 0.447 725 S N -0.773 114.960 115.700 0.056 0.000 2.383 725 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 725 S C 1.829 176.460 174.600 0.052 0.000 1.026 725 S CA 1.360 59.593 58.200 0.055 0.000 0.981 725 S CB -0.388 62.855 63.200 0.073 0.000 0.818 725 S HN 0.465 nan 8.310 nan 0.000 0.472 726 L N 0.499 121.756 121.223 0.056 0.000 2.446 726 L HA 0.169 4.509 4.340 -0.000 0.000 0.219 726 L C 0.310 177.178 176.870 -0.004 0.000 1.116 726 L CA 0.553 55.417 54.840 0.039 0.000 0.844 726 L CB -0.086 41.998 42.059 0.041 0.000 0.970 726 L HN 0.246 nan 8.230 nan 0.000 0.457 727 D N 0.424 120.817 120.400 -0.011 0.000 2.755 727 D HA 0.513 5.153 4.640 -0.000 0.000 0.257 727 D C 0.086 176.381 176.300 -0.008 0.000 1.291 727 D CA 0.295 54.281 54.000 -0.024 0.000 0.836 727 D CB 0.873 41.650 40.800 -0.038 0.000 1.059 727 D HN 0.173 nan 8.370 nan 0.000 0.486 728 A N 0.000 122.821 122.820 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 52.040 52.037 0.006 0.000 0.836 728 A CB 0.000 19.005 19.000 0.009 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486