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 3go9_1_A DATA FIRST_RESID 8 DATA SEQUENCE LXVGGLLXXX XXXXXQAEAL QPDPAWQQGK LDNGFSWQLL ATPQRPSDRI DATA SEQUENCE ELRLIVNTGS LSENTQEVGF AHLLPRLALX SSASFTPAQL QSLWQQGIDN DATA SEQUENCE ERPLPPAITS YDFTLYSLSL PNNRPDLLKD ALAWLSDTAG NLAVSEQTVN DATA SEQUENCE AALNTATDPI ATFPQNIQEP WWRYRLKGSS LIGHDPGQPV TQPVDVEKLK DATA SEQUENCE QFYQQWYTPD AXTLYVVGNV DSRSIAAQIS KAFSELKGKR TAPAAVATLA DATA SEQUENCE PLPPEPVSLX NEQAAQDTLS LXWDTPWHPI QDSXALSRYW RSDLAREALF DATA SEQUENCE WHIKQVLEKN NQKNLKLGFD CRVQYQRAQC AIHLNTPVEN LTANXTFVAR DATA SEQUENCE ELAALRANGL SQAEFDALXT QKNDQLSKLF ATYARTDTDI LXSQRLRSQQ DATA SEQUENCE SGVVDIAPEQ YQKLRQAFLS GLTLAELNRE LKQQLSQDTT LVLXQPKGEP DATA SEQUENCE EVNVKALQEI YNGIXA 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.870 176.870 0.000 0.000 1.165 8 L CA 0.000 54.840 54.840 0.001 0.000 0.813 8 L CB 0.000 42.059 42.059 0.001 0.000 0.961 11 G N 0.240 109.040 108.800 -0.000 0.000 2.467 11 G HA2 0.554 4.518 3.960 0.006 0.000 0.257 11 G HA3 0.554 4.518 3.960 0.006 0.000 0.257 11 G C 0.764 175.664 174.900 -0.000 0.000 1.227 11 G CA 0.453 45.553 45.100 -0.000 0.000 0.835 11 G HN 0.760 nan 8.290 nan 0.000 0.556 12 G N 0.332 109.132 108.800 -0.000 0.000 2.651 12 G HA2 0.047 4.011 3.960 0.006 0.000 0.226 12 G HA3 0.047 4.011 3.960 0.006 0.000 0.226 12 G C 1.388 176.288 174.900 -0.000 0.000 1.542 12 G CA -0.225 44.875 45.100 -0.000 0.000 0.868 12 G HN 0.494 nan 8.290 nan 0.000 0.588 13 L N 1.241 122.464 121.223 -0.000 0.000 2.622 13 L HA 0.172 4.515 4.340 0.006 0.000 0.233 13 L C 0.665 177.535 176.870 -0.000 0.000 1.156 13 L CA -0.476 54.364 54.840 -0.000 0.000 0.866 13 L CB -0.235 41.823 42.059 -0.001 0.000 0.980 13 L HN 0.043 nan 8.230 nan 0.000 0.448 24 A N 0.860 123.679 122.820 -0.001 0.000 2.306 24 A HA 0.625 4.949 4.320 0.006 0.000 0.330 24 A C 0.101 177.684 177.584 -0.001 0.000 1.146 24 A CA -0.532 51.506 52.037 0.001 0.000 0.827 24 A CB 0.625 19.623 19.000 -0.004 0.000 1.178 24 A HN 0.636 nan 8.150 nan 0.000 0.490 25 E N 1.283 121.486 120.200 0.004 0.000 2.408 25 E HA 0.436 4.790 4.350 0.006 0.000 0.259 25 E C 0.215 176.812 176.600 -0.005 0.000 1.110 25 E CA -0.152 56.250 56.400 0.004 0.000 0.929 25 E CB 0.608 30.316 29.700 0.014 0.000 0.971 25 E HN 0.708 nan 8.360 nan 0.000 0.438 26 A N 3.265 126.082 122.820 -0.005 0.000 2.477 26 A HA 0.209 4.532 4.320 0.006 0.000 0.246 26 A C 0.396 177.976 177.584 -0.008 0.000 1.078 26 A CA -0.461 51.569 52.037 -0.011 0.000 0.770 26 A CB -0.027 18.968 19.000 -0.009 0.000 1.011 26 A HN 0.596 nan 8.150 nan 0.000 0.494 27 L N 2.031 123.242 121.223 -0.020 0.000 2.456 27 L HA 0.090 4.433 4.340 0.006 0.000 0.272 27 L C 0.603 177.474 176.870 0.001 0.000 1.189 27 L CA 0.358 55.190 54.840 -0.014 0.000 0.846 27 L CB 0.231 42.268 42.059 -0.037 0.000 1.111 27 L HN 0.727 nan 8.230 nan 0.000 0.475 28 Q N 4.190 124.003 119.800 0.021 0.000 2.372 28 Q HA 0.328 4.672 4.340 0.006 0.000 0.259 28 Q C -2.286 173.737 176.000 0.038 0.000 0.993 28 Q CA -2.041 53.780 55.803 0.030 0.000 0.854 28 Q CB 1.466 30.231 28.738 0.045 0.000 1.231 28 Q HN 0.336 nan 8.270 nan 0.000 0.462 29 P HA -0.133 nan 4.420 nan 0.000 0.267 29 P C -0.611 176.731 177.300 0.070 0.000 1.200 29 P CA -0.048 63.073 63.100 0.036 0.000 0.772 29 P CB 0.502 32.212 31.700 0.017 0.000 0.855 30 D N 4.059 124.522 120.400 0.105 0.000 2.382 30 D HA 0.015 4.659 4.640 0.006 0.000 0.259 30 D C -1.266 175.131 176.300 0.161 0.000 1.224 30 D CA -1.880 52.206 54.000 0.144 0.000 0.894 30 D CB 0.359 41.286 40.800 0.212 0.000 1.127 30 D HN 0.223 nan 8.370 nan 0.000 0.487 31 P HA -0.013 nan 4.420 nan 0.000 0.237 31 P C 0.919 178.275 177.300 0.094 0.000 1.178 31 P CA 0.276 63.432 63.100 0.094 0.000 0.766 31 P CB 0.214 31.951 31.700 0.061 0.000 0.876 32 A N -0.851 122.021 122.820 0.087 0.000 2.019 32 A HA -0.123 4.201 4.320 0.006 0.000 0.219 32 A C 0.819 178.382 177.584 -0.034 0.000 1.164 32 A CA 0.517 52.561 52.037 0.012 0.000 0.644 32 A CB -1.372 17.612 19.000 -0.026 0.000 0.805 32 A HN 0.222 nan 8.150 nan 0.000 0.449 33 W N 1.744 123.079 121.300 0.058 0.000 2.422 33 W HA 0.393 5.056 4.660 0.006 0.000 0.349 33 W C -0.057 176.480 176.519 0.030 0.000 1.062 33 W CA -0.432 56.949 57.345 0.061 0.000 1.497 33 W CB 0.253 29.746 29.460 0.055 0.000 1.407 33 W HN 0.317 nan 8.180 nan 0.000 0.393 34 Q N 3.208 123.140 119.800 0.220 0.000 2.332 34 Q HA 0.220 4.563 4.340 0.006 0.000 0.263 34 Q C -0.138 175.885 176.000 0.038 0.000 0.979 34 Q CA 0.129 56.018 55.803 0.142 0.000 0.885 34 Q CB 0.969 29.834 28.738 0.212 0.000 1.218 34 Q HN 0.453 nan 8.270 nan 0.000 0.405 35 Q N 0.385 120.051 119.800 -0.224 0.000 2.423 35 Q HA 0.782 5.126 4.340 0.006 0.000 0.278 35 Q C -0.725 174.672 176.000 -1.004 0.000 1.097 35 Q CA -0.860 54.600 55.803 -0.572 0.000 0.809 35 Q CB 2.452 31.000 28.738 -0.317 0.000 1.391 35 Q HN 0.757 nan 8.270 nan 0.000 0.428 36 G N 0.946 108.765 108.800 -1.636 0.000 2.682 36 G HA2 0.648 4.612 3.960 0.006 0.000 0.290 36 G HA3 0.648 4.612 3.960 0.006 0.000 0.290 36 G C -1.626 172.776 174.900 -0.830 0.000 1.425 36 G CA -0.576 43.783 45.100 -1.235 0.000 0.807 36 G HN 0.282 nan 8.290 nan 0.000 0.482 37 K N 0.137 120.382 120.400 -0.258 0.000 2.468 37 K HA 0.489 4.813 4.320 0.006 0.000 0.252 37 K C -0.554 176.145 176.600 0.165 0.000 0.932 37 K CA -0.629 55.638 56.287 -0.034 0.000 0.794 37 K CB 2.564 35.028 32.500 -0.060 0.000 1.241 37 K HN 0.330 nan 8.250 nan 0.000 0.428 38 L N 1.523 122.909 121.223 0.271 0.000 2.454 38 L HA 0.197 4.540 4.340 0.006 0.000 0.256 38 L C 0.959 177.921 176.870 0.154 0.000 1.136 38 L CA -0.574 54.414 54.840 0.248 0.000 0.804 38 L CB 0.535 42.764 42.059 0.284 0.000 1.181 38 L HN 0.638 nan 8.230 nan 0.000 0.469 39 D N 0.429 120.899 120.400 0.117 0.000 2.263 39 D HA -0.132 4.512 4.640 0.006 0.000 0.208 39 D C 1.379 177.723 176.300 0.074 0.000 0.971 39 D CA 1.026 55.073 54.000 0.079 0.000 0.867 39 D CB -0.184 40.652 40.800 0.060 0.000 0.929 39 D HN 0.556 nan 8.370 nan 0.000 0.492 40 N N -0.264 118.494 118.700 0.096 0.000 2.449 40 N HA 0.040 4.783 4.740 0.006 0.000 0.191 40 N C 1.342 176.916 175.510 0.107 0.000 1.161 40 N CA 0.878 53.983 53.050 0.092 0.000 0.863 40 N CB 0.144 38.688 38.487 0.096 0.000 0.980 40 N HN 0.132 nan 8.380 nan 0.000 0.458 41 G N -0.639 108.228 108.800 0.111 0.000 2.176 41 G HA2 -0.296 3.668 3.960 0.006 0.000 0.253 41 G HA3 -0.296 3.668 3.960 0.006 0.000 0.253 41 G C -0.228 174.733 174.900 0.101 0.000 0.979 41 G CA 0.000 45.148 45.100 0.079 0.000 0.641 41 G HN 0.454 nan 8.290 nan 0.000 0.530 42 F N 2.916 122.882 119.950 0.026 0.000 2.578 42 F HA 0.502 5.033 4.527 0.006 0.000 0.376 42 F C 0.683 176.495 175.800 0.019 0.000 1.085 42 F CA 0.722 58.733 58.000 0.019 0.000 1.260 42 F CB 0.743 39.781 39.000 0.063 0.000 1.095 42 F HN 0.073 nan 8.300 nan 0.000 0.573 43 S N 6.568 121.967 115.700 -0.501 0.000 2.549 43 S HA 0.546 5.019 4.470 0.006 0.000 0.297 43 S C -1.147 173.241 174.600 -0.354 0.000 1.115 43 S CA -0.581 57.403 58.200 -0.360 0.000 1.059 43 S CB 1.138 64.107 63.200 -0.386 0.000 1.046 43 S HN 0.705 nan 8.310 nan 0.000 0.506 44 W N 1.101 122.260 121.300 -0.234 0.000 3.107 44 W HA 0.653 5.316 4.660 0.006 0.000 0.331 44 W C -1.702 174.734 176.519 -0.139 0.000 1.204 44 W CA -0.876 56.354 57.345 -0.192 0.000 1.184 44 W CB 0.773 30.253 29.460 0.034 0.000 1.421 44 W HN 0.493 nan 8.180 nan 0.000 0.544 45 Q N 2.375 122.289 119.800 0.190 0.000 2.289 45 Q HA 0.550 4.894 4.340 0.006 0.000 0.270 45 Q C -1.822 174.538 176.000 0.599 0.000 1.038 45 Q CA -1.036 54.933 55.803 0.277 0.000 0.812 45 Q CB 3.397 32.188 28.738 0.088 0.000 1.300 45 Q HN 0.426 nan 8.270 nan 0.000 0.427 46 L N 2.905 124.473 121.223 0.576 0.000 2.410 46 L HA 0.579 4.922 4.340 0.006 0.000 0.270 46 L C -2.089 174.737 176.870 -0.074 0.000 0.983 46 L CA -0.762 54.271 54.840 0.322 0.000 0.822 46 L CB 1.851 44.118 42.059 0.347 0.000 1.285 46 L HN 0.606 nan 8.230 nan 0.000 0.409 47 L N 5.311 126.242 121.223 -0.487 0.000 2.324 47 L HA 0.829 5.172 4.340 0.006 0.000 0.274 47 L C -0.139 176.537 176.870 -0.324 0.000 1.012 47 L CA -0.203 54.176 54.840 -0.768 0.000 0.859 47 L CB 0.972 42.122 42.059 -1.514 0.000 1.224 47 L HN 0.823 nan 8.230 nan 0.000 0.429 48 A N 2.941 125.654 122.820 -0.180 0.000 2.440 48 A HA 0.560 4.884 4.320 0.006 0.000 0.251 48 A C 0.427 177.963 177.584 -0.081 0.000 1.089 48 A CA 0.302 52.285 52.037 -0.090 0.000 0.779 48 A CB -0.024 18.952 19.000 -0.040 0.000 1.022 48 A HN 0.798 nan 8.150 nan 0.000 0.492 49 T N 0.649 115.170 114.554 -0.055 0.000 3.327 49 T HA 0.479 4.832 4.350 0.006 0.000 0.373 49 T C -2.115 172.572 174.700 -0.021 0.000 1.589 49 T CA -1.246 60.831 62.100 -0.038 0.000 1.497 49 T CB 1.094 69.923 68.868 -0.065 0.000 1.032 49 T HN 0.428 nan 8.240 nan 0.000 0.640 50 P HA -0.135 nan 4.420 nan 0.000 0.226 50 P C 1.604 178.905 177.300 0.002 0.000 1.153 50 P CA 0.806 63.905 63.100 -0.001 0.000 0.777 50 P CB 0.262 31.965 31.700 0.005 0.000 0.794 51 Q N -0.011 119.795 119.800 0.010 0.000 2.436 51 Q HA -0.088 4.256 4.340 0.006 0.000 0.209 51 Q C 0.517 176.500 176.000 -0.029 0.000 0.965 51 Q CA 1.123 56.929 55.803 0.005 0.000 0.910 51 Q CB -0.243 28.517 28.738 0.037 0.000 0.980 51 Q HN 0.139 nan 8.270 nan 0.000 0.491 52 R N 1.739 122.214 120.500 -0.042 0.000 3.194 52 R HA 0.285 4.628 4.340 0.006 0.000 0.306 52 R C -1.984 174.298 176.300 -0.031 0.000 1.347 52 R CA -1.765 54.306 56.100 -0.048 0.000 1.540 52 R CB 0.781 31.038 30.300 -0.072 0.000 1.352 52 R HN 0.181 nan 8.270 nan 0.000 0.621 53 P HA -0.073 nan 4.420 nan 0.000 0.223 53 P C 0.808 178.099 177.300 -0.015 0.000 1.151 53 P CA 0.969 64.060 63.100 -0.015 0.000 0.787 53 P CB 0.472 32.166 31.700 -0.010 0.000 0.788 54 S N -2.890 112.801 115.700 -0.016 0.000 2.539 54 S HA 0.119 4.593 4.470 0.006 0.000 0.221 54 S C 0.626 175.218 174.600 -0.014 0.000 0.987 54 S CA -0.438 57.754 58.200 -0.013 0.000 0.929 54 S CB -0.447 62.747 63.200 -0.011 0.000 0.832 54 S HN -0.115 nan 8.310 nan 0.000 0.492 55 D N 2.364 122.752 120.400 -0.019 0.000 2.358 55 D HA 0.267 4.910 4.640 0.006 0.000 0.244 55 D C 0.190 176.482 176.300 -0.013 0.000 1.163 55 D CA -0.389 53.600 54.000 -0.018 0.000 0.945 55 D CB 0.785 41.568 40.800 -0.028 0.000 1.152 55 D HN 0.209 nan 8.370 nan 0.000 0.451 56 R N 0.866 121.361 120.500 -0.009 0.000 2.694 56 R HA 0.185 4.529 4.340 0.006 0.000 0.268 56 R C -0.138 176.162 176.300 0.001 0.000 1.061 56 R CA -0.491 55.607 56.100 -0.005 0.000 1.133 56 R CB 0.542 30.841 30.300 -0.001 0.000 1.020 56 R HN 0.386 nan 8.270 nan 0.000 0.475 57 I N 2.769 123.342 120.570 0.004 0.000 2.325 57 I HA 0.131 4.305 4.170 0.006 0.000 0.291 57 I C 0.296 176.433 176.117 0.032 0.000 1.019 57 I CA -0.176 61.134 61.300 0.016 0.000 1.302 57 I CB 1.037 39.044 38.000 0.013 0.000 1.401 57 I HN 0.407 nan 8.210 nan 0.000 0.485 58 E N 6.654 126.887 120.200 0.055 0.000 2.151 58 E HA 0.560 4.914 4.350 0.006 0.000 0.275 58 E C -0.946 175.730 176.600 0.127 0.000 0.936 58 E CA -0.793 55.656 56.400 0.081 0.000 0.777 58 E CB 2.461 32.210 29.700 0.083 0.000 1.108 58 E HN 0.299 nan 8.360 nan 0.000 0.401 59 L N 3.101 124.408 121.223 0.141 0.000 2.365 59 L HA 0.500 4.844 4.340 0.006 0.000 0.273 59 L C -0.080 176.930 176.870 0.232 0.000 1.000 59 L CA -0.605 54.354 54.840 0.197 0.000 0.819 59 L CB 1.364 43.535 42.059 0.188 0.000 1.284 59 L HN 0.152 nan 8.230 nan 0.000 0.418 60 R N 2.806 123.477 120.500 0.285 0.000 2.574 60 R HA 0.622 4.965 4.340 0.006 0.000 0.288 60 R C -1.653 174.857 176.300 0.350 0.000 1.004 60 R CA -0.821 55.454 56.100 0.292 0.000 0.895 60 R CB 2.441 32.854 30.300 0.188 0.000 1.191 60 R HN 0.419 nan 8.270 nan 0.000 0.444 61 L N 4.220 125.661 121.223 0.364 0.000 2.319 61 L HA 0.541 4.884 4.340 0.006 0.000 0.281 61 L C -0.816 176.249 176.870 0.325 0.000 1.005 61 L CA -0.298 54.733 54.840 0.319 0.000 0.828 61 L CB 1.029 43.294 42.059 0.342 0.000 1.227 61 L HN 0.564 nan 8.230 nan 0.000 0.415 62 I N 5.689 126.388 120.570 0.216 0.000 2.331 62 I HA 0.394 4.567 4.170 0.006 0.000 0.292 62 I C -0.628 175.540 176.117 0.086 0.000 0.998 62 I CA -0.746 60.649 61.300 0.159 0.000 1.267 62 I CB 1.627 39.679 38.000 0.088 0.000 1.386 62 I HN 0.269 nan 8.210 nan 0.000 0.476 63 V N 5.963 125.938 119.914 0.103 0.000 2.448 63 V HA 0.239 4.362 4.120 0.006 0.000 0.295 63 V C 0.223 176.331 176.094 0.023 0.000 1.025 63 V CA -0.867 61.412 62.300 -0.036 0.000 0.859 63 V CB 1.549 33.215 31.823 -0.263 0.000 0.988 63 V HN 0.612 nan 8.190 nan 0.000 0.431 64 N N 3.283 121.991 118.700 0.014 0.000 3.243 64 N HA 0.146 4.889 4.740 0.006 0.000 0.310 64 N C -0.127 175.420 175.510 0.061 0.000 1.313 64 N CA 0.119 53.212 53.050 0.072 0.000 1.204 64 N CB 0.354 38.874 38.487 0.055 0.000 1.483 64 N HN 0.672 nan 8.380 nan 0.000 0.553 65 T N -0.799 113.780 114.554 0.041 0.000 2.937 65 T HA 0.671 5.025 4.350 0.006 0.000 0.297 65 T C 0.430 175.152 174.700 0.035 0.000 0.991 65 T CA -0.741 61.363 62.100 0.006 0.000 0.990 65 T CB 2.115 71.019 68.868 0.060 0.000 0.991 65 T HN 0.337 nan 8.240 nan 0.000 0.440 66 G N 0.774 109.562 108.800 -0.020 0.000 3.058 66 G HA2 0.530 4.493 3.960 0.006 0.000 0.282 66 G HA3 0.530 4.493 3.960 0.006 0.000 0.282 66 G C 1.023 175.917 174.900 -0.011 0.000 1.248 66 G CA -0.068 45.023 45.100 -0.016 0.000 0.822 66 G HN 0.614 nan 8.290 nan 0.000 0.579 67 S N -0.631 115.049 115.700 -0.033 0.000 2.447 67 S HA -0.016 4.457 4.470 0.006 0.000 0.233 67 S C 2.223 176.803 174.600 -0.033 0.000 1.006 67 S CA 0.819 59.025 58.200 0.010 0.000 0.957 67 S CB -0.329 62.869 63.200 -0.003 0.000 0.773 67 S HN 0.345 nan 8.310 nan 0.000 0.507 68 L N 1.466 122.597 121.223 -0.154 0.000 2.362 68 L HA 0.013 4.357 4.340 0.006 0.000 0.219 68 L C 2.298 178.965 176.870 -0.339 0.000 1.134 68 L CA 0.792 55.387 54.840 -0.408 0.000 0.807 68 L CB -0.562 41.351 42.059 -0.242 0.000 0.927 68 L HN 0.323 nan 8.230 nan 0.000 0.447 69 S N -1.100 114.392 115.700 -0.347 0.000 2.522 69 S HA -0.009 4.465 4.470 0.006 0.000 0.227 69 S C 0.554 175.044 174.600 -0.184 0.000 0.986 69 S CA 0.335 58.135 58.200 -0.667 0.000 0.929 69 S CB -0.159 62.225 63.200 -1.361 0.000 0.769 69 S HN 0.421 nan 8.310 nan 0.000 0.529 70 E N 2.880 123.096 120.200 0.027 0.000 2.259 70 E HA 0.187 4.540 4.350 0.006 0.000 0.281 70 E C -0.065 176.604 176.600 0.116 0.000 1.027 70 E CA -0.567 55.890 56.400 0.095 0.000 0.838 70 E CB 0.547 30.231 29.700 -0.027 0.000 1.066 70 E HN 0.387 nan 8.360 nan 0.000 0.401 71 N N 0.503 119.256 118.700 0.089 0.000 2.364 71 N HA -0.003 4.741 4.740 0.006 0.000 0.264 71 N C 0.788 176.270 175.510 -0.046 0.000 1.263 71 N CA -0.290 52.797 53.050 0.060 0.000 0.959 71 N CB 0.102 38.641 38.487 0.088 0.000 1.204 71 N HN 0.358 nan 8.380 nan 0.000 0.550 72 T N -4.140 110.384 114.554 -0.050 0.000 3.072 72 T HA -0.057 4.297 4.350 0.006 0.000 0.266 72 T C 0.798 175.414 174.700 -0.140 0.000 1.127 72 T CA 0.690 62.730 62.100 -0.099 0.000 1.107 72 T CB -0.270 68.553 68.868 -0.075 0.000 0.910 72 T HN 0.411 nan 8.240 nan 0.000 0.513 73 Q N 0.844 120.555 119.800 -0.149 0.000 2.403 73 Q HA 0.206 4.550 4.340 0.006 0.000 0.203 73 Q C 0.798 176.515 176.000 -0.472 0.000 0.932 73 Q CA 0.476 56.165 55.803 -0.191 0.000 0.945 73 Q CB 0.264 28.949 28.738 -0.088 0.000 1.045 73 Q HN 0.768 nan 8.270 nan 0.000 0.511 74 E N -0.315 119.501 120.200 -0.641 0.000 2.758 74 E HA 0.141 4.494 4.350 0.006 0.000 0.215 74 E C -0.481 175.530 176.600 -0.982 0.000 0.985 74 E CA -0.143 55.411 56.400 -1.410 0.000 1.102 74 E CB 1.347 30.474 29.700 -0.955 0.000 1.042 74 E HN -0.084 nan 8.360 nan 0.000 0.480 75 V N 1.391 121.006 119.914 -0.499 0.000 2.557 75 V HA 0.043 4.166 4.120 0.006 0.000 0.301 75 V C 1.525 177.539 176.094 -0.133 0.000 1.026 75 V CA 1.688 63.842 62.300 -0.244 0.000 1.137 75 V CB 0.341 32.068 31.823 -0.161 0.000 0.917 75 V HN 0.664 nan 8.190 nan 0.000 0.484 76 G N 4.257 113.023 108.800 -0.057 0.000 2.179 76 G HA2 -0.302 3.662 3.960 0.006 0.000 0.260 76 G HA3 -0.302 3.662 3.960 0.006 0.000 0.260 76 G C 0.519 175.522 174.900 0.171 0.000 0.977 76 G CA 0.403 45.536 45.100 0.056 0.000 0.641 76 G HN 0.558 nan 8.290 nan 0.000 0.533 77 F N 1.306 121.126 119.950 -0.218 0.000 2.126 77 F HA 0.122 4.653 4.527 0.006 0.000 0.299 77 F C 2.982 178.717 175.800 -0.108 0.000 1.096 77 F CA 1.541 59.357 58.000 -0.306 0.000 1.255 77 F CB -1.137 37.365 39.000 -0.829 0.000 0.997 77 F HN 0.375 nan 8.300 nan 0.000 0.479 78 A N -1.287 121.634 122.820 0.168 0.000 1.969 78 A HA -0.237 4.087 4.320 0.006 0.000 0.218 78 A C 1.991 179.721 177.584 0.243 0.000 1.169 78 A CA 1.829 54.077 52.037 0.352 0.000 0.635 78 A CB -1.137 18.059 19.000 0.326 0.000 0.810 78 A HN 0.482 nan 8.150 nan 0.000 0.445 79 H N -1.215 117.896 119.070 0.068 0.000 2.462 79 H HA 0.050 4.610 4.556 0.006 0.000 0.292 79 H C 1.673 177.017 175.328 0.026 0.000 1.049 79 H CA 1.340 57.399 56.048 0.020 0.000 1.334 79 H CB 0.016 29.765 29.762 -0.022 0.000 1.404 79 H HN 0.340 nan 8.280 nan 0.000 0.544 80 L N -0.102 121.159 121.223 0.064 0.000 2.131 80 L HA -0.022 4.322 4.340 0.006 0.000 0.206 80 L C 1.855 178.695 176.870 -0.050 0.000 1.087 80 L CA 1.204 56.031 54.840 -0.021 0.000 0.767 80 L CB -0.628 41.413 42.059 -0.030 0.000 0.917 80 L HN 0.340 nan 8.230 nan 0.000 0.441 81 L N 0.411 121.633 121.223 -0.002 0.000 2.013 81 L HA -0.181 4.162 4.340 0.006 0.000 0.212 81 L C -0.207 176.676 176.870 0.022 0.000 1.073 81 L CA 1.664 56.490 54.840 -0.025 0.000 0.753 81 L CB -2.239 39.838 42.059 0.030 0.000 0.890 81 L HN 0.285 nan 8.230 nan 0.000 0.432 82 P HA -0.161 nan 4.420 nan 0.000 0.221 82 P C 1.401 178.764 177.300 0.105 0.000 1.150 82 P CA 1.254 64.486 63.100 0.218 0.000 0.800 82 P CB -0.164 31.611 31.700 0.125 0.000 0.787 83 R N 0.139 120.624 120.500 -0.025 0.000 2.115 83 R HA -0.038 4.305 4.340 0.006 0.000 0.230 83 R C 2.335 178.619 176.300 -0.026 0.000 1.111 83 R CA 0.881 56.951 56.100 -0.050 0.000 0.976 83 R CB -0.722 29.525 30.300 -0.089 0.000 0.870 83 R HN 0.161 nan 8.270 nan 0.000 0.445 84 L N 0.018 121.216 121.223 -0.041 0.000 2.042 84 L HA -0.162 4.182 4.340 0.006 0.000 0.210 84 L C 2.626 179.483 176.870 -0.021 0.000 1.076 84 L CA 1.417 56.220 54.840 -0.061 0.000 0.749 84 L CB -0.666 41.317 42.059 -0.127 0.000 0.893 84 L HN 0.269 nan 8.230 nan 0.000 0.432 85 A N -0.208 122.620 122.820 0.013 0.000 2.070 85 A HA -0.013 4.311 4.320 0.006 0.000 0.220 85 A C 1.375 179.167 177.584 0.347 0.000 1.159 85 A CA 0.909 52.985 52.037 0.064 0.000 0.656 85 A CB -0.496 18.464 19.000 -0.066 0.000 0.800 85 A HN 0.268 nan 8.150 nan 0.000 0.453 89 S N 0.700 116.486 115.700 0.143 0.000 2.575 89 S HA 0.725 5.198 4.470 0.006 0.000 0.278 89 S C 1.044 175.794 174.600 0.251 0.000 1.139 89 S CA -0.075 58.222 58.200 0.162 0.000 0.954 89 S CB 1.391 64.699 63.200 0.181 0.000 1.054 89 S HN 1.792 nan 8.310 nan 0.000 0.483 90 A N 3.056 125.965 122.820 0.148 0.000 1.978 90 A HA -0.018 4.305 4.320 0.006 0.000 0.220 90 A C 1.798 179.454 177.584 0.119 0.000 1.170 90 A CA 2.118 54.217 52.037 0.104 0.000 0.636 90 A CB -0.590 18.435 19.000 0.041 0.000 0.810 90 A HN 0.744 nan 8.150 nan 0.000 0.448 91 S N -1.457 114.350 115.700 0.178 0.000 2.593 91 S HA 0.350 4.824 4.470 0.006 0.000 0.217 91 S C -0.362 174.102 174.600 -0.228 0.000 0.966 91 S CA -0.061 58.110 58.200 -0.048 0.000 0.914 91 S CB -0.299 62.793 63.200 -0.180 0.000 0.776 91 S HN 0.414 nan 8.310 nan 0.000 0.523 92 F N 1.630 121.616 119.950 0.061 0.000 2.540 92 F HA 0.339 4.870 4.527 0.006 0.000 0.317 92 F C 0.757 176.594 175.800 0.061 0.000 1.104 92 F CA -1.182 56.863 58.000 0.075 0.000 0.913 92 F CB 1.287 40.367 39.000 0.134 0.000 1.170 92 F HN -0.147 nan 8.300 nan 0.000 0.450 93 T N -0.155 114.520 114.554 0.201 0.000 2.860 93 T HA 0.180 4.534 4.350 0.006 0.000 0.299 93 T C -1.978 172.833 174.700 0.185 0.000 1.045 93 T CA -1.436 60.755 62.100 0.152 0.000 1.071 93 T CB 1.114 70.038 68.868 0.092 0.000 0.985 93 T HN 0.295 nan 8.240 nan 0.000 0.537 94 P HA -0.151 nan 4.420 nan 0.000 0.216 94 P C 1.679 179.046 177.300 0.112 0.000 1.154 94 P CA 1.847 65.013 63.100 0.109 0.000 0.865 94 P CB -0.334 31.409 31.700 0.072 0.000 0.789 95 A N -0.609 122.270 122.820 0.100 0.000 1.902 95 A HA -0.262 4.061 4.320 0.006 0.000 0.217 95 A C 2.240 179.897 177.584 0.121 0.000 1.181 95 A CA 1.697 53.787 52.037 0.089 0.000 0.623 95 A CB -1.286 17.752 19.000 0.064 0.000 0.818 95 A HN 0.218 nan 8.150 nan 0.000 0.443 96 Q N -1.177 118.726 119.800 0.171 0.000 2.119 96 Q HA -0.099 4.244 4.340 0.006 0.000 0.201 96 Q C 2.061 178.272 176.000 0.351 0.000 0.972 96 Q CA 1.293 57.246 55.803 0.251 0.000 0.847 96 Q CB -0.287 28.608 28.738 0.261 0.000 0.903 96 Q HN 0.574 nan 8.270 nan 0.000 0.433 97 L N 0.988 122.400 121.223 0.315 0.000 2.046 97 L HA -0.227 4.116 4.340 0.006 0.000 0.208 97 L C 2.413 179.353 176.870 0.116 0.000 1.077 97 L CA 1.925 56.821 54.840 0.092 0.000 0.747 97 L CB -0.531 41.568 42.059 0.067 0.000 0.896 97 L HN 0.215 nan 8.230 nan 0.000 0.432 98 Q N -1.354 118.520 119.800 0.122 0.000 2.084 98 Q HA -0.228 4.116 4.340 0.006 0.000 0.202 98 Q C 2.350 178.404 176.000 0.091 0.000 0.978 98 Q CA 2.011 57.879 55.803 0.108 0.000 0.844 98 Q CB -0.249 28.535 28.738 0.076 0.000 0.898 98 Q HN 0.596 nan 8.270 nan 0.000 0.426 99 S N 0.059 115.806 115.700 0.077 0.000 2.370 99 S HA -0.177 4.296 4.470 0.006 0.000 0.226 99 S C 1.913 176.512 174.600 -0.001 0.000 1.033 99 S CA 1.242 59.470 58.200 0.047 0.000 1.011 99 S CB -0.428 62.806 63.200 0.056 0.000 0.852 99 S HN 0.491 nan 8.310 nan 0.000 0.457 100 L N 0.293 121.493 121.223 -0.038 0.000 1.989 100 L HA 0.036 4.379 4.340 0.006 0.000 0.211 100 L C 1.995 178.650 176.870 -0.359 0.000 1.071 100 L CA 2.068 56.770 54.840 -0.231 0.000 0.749 100 L CB -1.032 40.797 42.059 -0.383 0.000 0.890 100 L HN 0.525 nan 8.230 nan 0.000 0.431 101 W N -0.266 120.931 121.300 -0.171 0.000 2.467 101 W HA -0.070 4.594 4.660 0.006 0.000 0.275 101 W C 2.587 179.041 176.519 -0.108 0.000 1.239 101 W CA 0.788 58.019 57.345 -0.190 0.000 1.266 101 W CB -0.162 29.155 29.460 -0.240 0.000 1.112 101 W HN 0.246 nan 8.180 nan 0.000 0.576 102 Q N -0.145 119.719 119.800 0.107 0.000 2.364 102 Q HA -0.174 4.170 4.340 0.006 0.000 0.209 102 Q C 1.105 177.117 176.000 0.021 0.000 0.977 102 Q CA 0.953 56.793 55.803 0.060 0.000 0.885 102 Q CB -0.123 28.640 28.738 0.043 0.000 0.941 102 Q HN 0.458 nan 8.270 nan 0.000 0.464 103 Q N -1.518 118.267 119.800 -0.025 0.000 2.135 103 Q HA 0.187 4.530 4.340 0.006 0.000 0.231 103 Q C 0.563 176.507 176.000 -0.093 0.000 0.817 103 Q CA -0.164 55.611 55.803 -0.047 0.000 1.073 103 Q CB 1.463 30.170 28.738 -0.051 0.000 1.176 103 Q HN 0.228 nan 8.270 nan 0.000 0.478 104 G N 0.141 108.879 108.800 -0.105 0.000 3.596 104 G HA2 0.243 4.207 3.960 0.006 0.000 0.274 104 G HA3 0.243 4.207 3.960 0.006 0.000 0.274 104 G C 0.098 174.978 174.900 -0.033 0.000 1.007 104 G CA -0.020 44.965 45.100 -0.193 0.000 0.825 104 G HN 0.063 nan 8.290 nan 0.000 0.508 105 I N 1.086 121.680 120.570 0.039 0.000 2.441 105 I HA 0.330 4.503 4.170 0.006 0.000 0.295 105 I C -0.727 175.413 176.117 0.040 0.000 0.994 105 I CA -1.325 60.020 61.300 0.075 0.000 1.144 105 I CB 1.695 39.752 38.000 0.095 0.000 1.314 105 I HN -0.115 nan 8.210 nan 0.000 0.445 106 D N 3.747 124.172 120.400 0.041 0.000 2.382 106 D HA 0.034 4.677 4.640 0.006 0.000 0.240 106 D C 1.092 177.405 176.300 0.023 0.000 1.146 106 D CA 0.197 54.214 54.000 0.027 0.000 0.897 106 D CB 0.927 41.745 40.800 0.030 0.000 1.197 106 D HN 0.318 nan 8.370 nan 0.000 0.432 107 N N 1.241 119.950 118.700 0.015 0.000 2.309 107 N HA -0.083 4.661 4.740 0.006 0.000 0.182 107 N C 0.281 175.799 175.510 0.014 0.000 1.018 107 N CA 0.846 53.904 53.050 0.013 0.000 0.876 107 N CB 0.094 38.585 38.487 0.008 0.000 0.972 107 N HN 0.622 nan 8.380 nan 0.000 0.434 108 E N -0.509 119.699 120.200 0.014 0.000 2.416 108 E HA 0.328 4.682 4.350 0.006 0.000 0.273 108 E C -0.636 175.975 176.600 0.018 0.000 0.935 108 E CA -0.706 55.703 56.400 0.014 0.000 0.784 108 E CB 1.489 31.195 29.700 0.011 0.000 1.301 108 E HN -0.070 nan 8.360 nan 0.000 0.454 109 R N -0.100 120.410 120.500 0.018 0.000 3.322 109 R HA -0.114 4.230 4.340 0.006 0.000 0.253 109 R C -1.893 174.423 176.300 0.027 0.000 0.987 109 R CA 0.679 56.791 56.100 0.021 0.000 0.666 109 R CB -1.888 28.422 30.300 0.017 0.000 1.072 109 R HN 0.504 nan 8.270 nan 0.000 0.447 110 P HA 0.027 nan 4.420 nan 0.000 0.269 110 P C 0.074 177.401 177.300 0.045 0.000 1.209 110 P CA 0.320 63.443 63.100 0.039 0.000 0.776 110 P CB 0.724 32.446 31.700 0.036 0.000 0.876 111 L N 4.286 125.545 121.223 0.061 0.000 2.331 111 L HA 0.457 4.800 4.340 0.006 0.000 0.275 111 L C -1.748 175.164 176.870 0.070 0.000 1.022 111 L CA -2.332 52.548 54.840 0.067 0.000 0.812 111 L CB 1.472 43.580 42.059 0.082 0.000 1.257 111 L HN 0.284 nan 8.230 nan 0.000 0.435 112 P HA 0.164 nan 4.420 nan 0.000 0.272 112 P C -2.370 174.954 177.300 0.039 0.000 1.240 112 P CA -1.317 61.794 63.100 0.019 0.000 0.791 112 P CB 0.068 31.769 31.700 0.003 0.000 0.978 113 P HA -0.037 nan 4.420 nan 0.000 0.216 113 P C 0.090 177.470 177.300 0.134 0.000 1.150 113 P CA 1.752 64.824 63.100 -0.046 0.000 0.837 113 P CB 0.045 31.397 31.700 -0.580 0.000 0.786 114 A N -1.321 121.507 122.820 0.014 0.000 2.572 114 A HA 0.686 5.010 4.320 0.006 0.000 0.295 114 A C -1.360 176.186 177.584 -0.064 0.000 1.072 114 A CA -0.525 51.471 52.037 -0.069 0.000 0.691 114 A CB 0.982 19.834 19.000 -0.248 0.000 1.291 114 A HN -0.103 nan 8.150 nan 0.000 0.404 115 I N 1.739 122.281 120.570 -0.047 0.000 2.466 115 I HA 0.507 4.681 4.170 0.006 0.000 0.289 115 I C 0.231 176.312 176.117 -0.061 0.000 1.026 115 I CA -0.400 60.904 61.300 0.008 0.000 1.078 115 I CB 2.520 40.588 38.000 0.113 0.000 1.249 115 I HN 0.795 nan 8.210 nan 0.000 0.429 116 T N 1.520 116.036 114.554 -0.063 0.000 2.912 116 T HA 0.770 5.123 4.350 0.006 0.000 0.288 116 T C -0.437 174.084 174.700 -0.298 0.000 1.030 116 T CA -0.569 61.438 62.100 -0.154 0.000 1.020 116 T CB 2.246 71.133 68.868 0.032 0.000 1.056 116 T HN 0.542 nan 8.240 nan 0.000 0.480 117 S N -0.167 115.232 115.700 -0.502 0.000 2.973 117 S HA 0.467 4.940 4.470 0.006 0.000 0.317 117 S C -0.050 174.319 174.600 -0.385 0.000 1.196 117 S CA -0.701 57.183 58.200 -0.526 0.000 0.894 117 S CB 0.188 62.914 63.200 -0.790 0.000 1.292 117 S HN 0.712 nan 8.310 nan 0.000 0.614 118 Y N 1.552 121.828 120.300 -0.040 0.000 2.200 118 Y HA 0.012 4.565 4.550 0.005 0.000 0.290 118 Y C 1.786 177.686 175.900 -0.000 0.000 1.137 118 Y CA 1.812 59.928 58.100 0.027 0.000 1.163 118 Y CB 0.032 38.580 38.460 0.147 0.000 0.988 118 Y HN 0.706 nan 8.280 nan 0.000 0.518 119 D N -1.746 118.777 120.400 0.205 0.000 2.540 119 D HA 0.111 4.755 4.640 0.006 0.000 0.229 119 D C -0.329 176.118 176.300 0.247 0.000 1.250 119 D CA -0.165 53.950 54.000 0.193 0.000 0.817 119 D CB -0.789 40.155 40.800 0.240 0.000 1.060 119 D HN 0.242 nan 8.370 nan 0.000 0.508 120 F N -1.615 118.376 119.950 0.069 0.000 2.693 120 F HA 0.757 5.287 4.527 0.005 0.000 0.309 120 F C -1.442 174.377 175.800 0.031 0.000 1.129 120 F CA -0.956 57.061 58.000 0.028 0.000 0.948 120 F CB 1.386 40.386 39.000 -0.000 0.000 1.315 120 F HN -0.275 nan 8.300 nan 0.000 0.447 121 T N 3.088 117.751 114.554 0.181 0.000 2.841 121 T HA 0.647 5.001 4.350 0.006 0.000 0.283 121 T C -1.754 173.080 174.700 0.223 0.000 1.000 121 T CA -0.444 61.704 62.100 0.081 0.000 0.977 121 T CB 1.623 70.520 68.868 0.049 0.000 0.979 121 T HN 0.787 nan 8.240 nan 0.000 0.446 122 L N 3.954 125.269 121.223 0.154 0.000 2.343 122 L HA 0.591 4.935 4.340 0.006 0.000 0.278 122 L C -1.750 175.140 176.870 0.033 0.000 0.996 122 L CA -0.637 54.312 54.840 0.181 0.000 0.831 122 L CB 0.612 42.821 42.059 0.250 0.000 1.232 122 L HN 0.587 nan 8.230 nan 0.000 0.413 123 Y N 2.736 123.209 120.300 0.288 0.000 2.323 123 Y HA 0.679 5.233 4.550 0.007 0.000 0.331 123 Y C 0.446 176.543 175.900 0.328 0.000 1.092 123 Y CA -0.165 58.157 58.100 0.370 0.000 1.150 123 Y CB 1.909 40.668 38.460 0.500 0.000 1.200 123 Y HN 0.586 nan 8.280 nan 0.000 0.472 124 S N 4.068 120.047 115.700 0.466 0.000 2.614 124 S HA 0.690 5.163 4.470 0.006 0.000 0.288 124 S C -1.107 173.680 174.600 0.312 0.000 1.137 124 S CA -0.744 57.649 58.200 0.321 0.000 0.992 124 S CB 1.008 64.337 63.200 0.214 0.000 1.026 124 S HN 0.470 nan 8.310 nan 0.000 0.486 125 L N 1.920 123.253 121.223 0.183 0.000 2.370 125 L HA 0.752 5.096 4.340 0.006 0.000 0.266 125 L C -0.349 176.535 176.870 0.023 0.000 1.002 125 L CA -0.469 54.377 54.840 0.011 0.000 0.818 125 L CB 2.277 44.253 42.059 -0.137 0.000 1.325 125 L HN 0.640 nan 8.230 nan 0.000 0.418 126 S N 3.388 119.077 115.700 -0.018 0.000 2.756 126 S HA 0.681 5.155 4.470 0.006 0.000 0.303 126 S C -1.025 173.553 174.600 -0.036 0.000 1.135 126 S CA -0.545 57.655 58.200 -0.000 0.000 1.066 126 S CB 0.476 63.690 63.200 0.023 0.000 1.008 126 S HN 0.450 nan 8.310 nan 0.000 0.482 127 L N 5.171 126.375 121.223 -0.032 0.000 2.334 127 L HA 0.631 4.974 4.340 0.006 0.000 0.272 127 L C -2.208 174.647 176.870 -0.026 0.000 1.020 127 L CA -2.751 52.062 54.840 -0.045 0.000 0.812 127 L CB 1.666 43.699 42.059 -0.043 0.000 1.264 127 L HN 0.430 nan 8.230 nan 0.000 0.439 128 P HA 0.037 nan 4.420 nan 0.000 0.272 128 P C -0.789 176.502 177.300 -0.015 0.000 1.230 128 P CA -0.424 62.665 63.100 -0.018 0.000 0.788 128 P CB 0.409 32.098 31.700 -0.018 0.000 0.949 129 N N 2.177 120.869 118.700 -0.012 0.000 2.453 129 N HA -0.035 4.709 4.740 0.006 0.000 0.253 129 N C 0.600 176.103 175.510 -0.012 0.000 1.252 129 N CA 0.449 53.492 53.050 -0.011 0.000 0.917 129 N CB -0.654 37.826 38.487 -0.011 0.000 1.117 129 N HN 0.453 nan 8.380 nan 0.000 0.442 130 N N 0.807 119.500 118.700 -0.011 0.000 2.740 130 N HA -0.201 4.542 4.740 0.006 0.000 0.248 130 N C -1.397 174.105 175.510 -0.013 0.000 1.062 130 N CA 0.557 53.600 53.050 -0.011 0.000 0.704 130 N CB -0.509 37.972 38.487 -0.010 0.000 0.968 130 N HN 0.444 nan 8.380 nan 0.000 0.547 131 R N 0.127 120.618 120.500 -0.014 0.000 2.564 131 R HA 0.295 4.638 4.340 0.006 0.000 0.282 131 R C -1.796 174.494 176.300 -0.017 0.000 1.573 131 R CA -1.352 54.738 56.100 -0.016 0.000 1.588 131 R CB 1.024 31.312 30.300 -0.019 0.000 1.154 131 R HN 0.217 nan 8.270 nan 0.000 0.606 132 P HA -0.161 nan 4.420 nan 0.000 0.220 132 P C 0.618 177.906 177.300 -0.020 0.000 1.148 132 P CA 1.116 64.205 63.100 -0.018 0.000 0.803 132 P CB 0.382 32.070 31.700 -0.019 0.000 0.782 133 D N 0.657 121.045 120.400 -0.021 0.000 2.117 133 D HA -0.155 4.489 4.640 0.006 0.000 0.197 133 D C 2.107 178.396 176.300 -0.018 0.000 0.987 133 D CA 1.033 55.020 54.000 -0.023 0.000 0.829 133 D CB -1.222 39.565 40.800 -0.022 0.000 0.961 133 D HN 0.223 nan 8.370 nan 0.000 0.460 134 L N -0.461 120.751 121.223 -0.019 0.000 2.156 134 L HA -0.032 4.311 4.340 0.006 0.000 0.208 134 L C 2.557 179.417 176.870 -0.016 0.000 1.095 134 L CA 0.210 55.036 54.840 -0.023 0.000 0.770 134 L CB -0.311 41.723 42.059 -0.042 0.000 0.914 134 L HN 0.041 nan 8.230 nan 0.000 0.439 135 L N 0.544 121.761 121.223 -0.011 0.000 2.017 135 L HA -0.233 4.111 4.340 0.006 0.000 0.208 135 L C 2.568 179.447 176.870 0.014 0.000 1.073 135 L CA 1.875 56.717 54.840 0.004 0.000 0.745 135 L CB -0.562 41.498 42.059 0.001 0.000 0.894 135 L HN 0.140 nan 8.230 nan 0.000 0.432 136 K N -0.731 119.667 120.400 -0.004 0.000 2.032 136 K HA -0.222 4.102 4.320 0.006 0.000 0.209 136 K C 1.750 178.358 176.600 0.013 0.000 1.048 136 K CA 1.988 58.266 56.287 -0.014 0.000 0.927 136 K CB -0.235 32.242 32.500 -0.039 0.000 0.712 136 K HN 0.385 nan 8.250 nan 0.000 0.441 137 D N 0.393 120.814 120.400 0.036 0.000 2.117 137 D HA -0.139 4.504 4.640 0.006 0.000 0.197 137 D C 1.849 178.306 176.300 0.262 0.000 0.987 137 D CA 1.434 55.520 54.000 0.144 0.000 0.829 137 D CB -0.343 40.557 40.800 0.167 0.000 0.961 137 D HN 0.397 nan 8.370 nan 0.000 0.460 138 A N 0.869 123.760 122.820 0.120 0.000 1.883 138 A HA -0.140 4.183 4.320 0.006 0.000 0.217 138 A C 2.400 180.125 177.584 0.235 0.000 1.186 138 A CA 1.021 53.129 52.037 0.119 0.000 0.624 138 A CB -0.859 18.159 19.000 0.029 0.000 0.822 138 A HN 0.219 nan 8.150 nan 0.000 0.444 139 L N -0.942 120.379 121.223 0.163 0.000 2.131 139 L HA -0.188 4.156 4.340 0.006 0.000 0.210 139 L C 3.042 179.945 176.870 0.056 0.000 1.092 139 L CA 0.943 55.864 54.840 0.134 0.000 0.759 139 L CB -0.559 41.526 42.059 0.044 0.000 0.903 139 L HN 0.468 nan 8.230 nan 0.000 0.435 140 A N -0.679 122.208 122.820 0.113 0.000 1.898 140 A HA -0.249 4.075 4.320 0.006 0.000 0.216 140 A C 1.997 179.775 177.584 0.323 0.000 1.181 140 A CA 1.191 53.296 52.037 0.113 0.000 0.620 140 A CB -0.891 18.135 19.000 0.044 0.000 0.819 140 A HN 0.587 nan 8.150 nan 0.000 0.442 141 W N 0.606 122.105 121.300 0.333 0.000 2.358 141 W HA -0.112 4.551 4.660 0.005 0.000 0.303 141 W C 1.727 178.327 176.519 0.136 0.000 1.208 141 W CA 1.835 59.308 57.345 0.214 0.000 1.274 141 W CB -0.233 29.215 29.460 -0.020 0.000 1.138 141 W HN 0.245 nan 8.180 nan 0.000 0.515 142 L N 0.471 121.879 121.223 0.309 0.000 2.093 142 L HA -0.209 4.135 4.340 0.006 0.000 0.208 142 L C 2.837 179.797 176.870 0.149 0.000 1.085 142 L CA 1.678 56.648 54.840 0.216 0.000 0.755 142 L CB -1.098 41.261 42.059 0.499 0.000 0.904 142 L HN 0.060 nan 8.230 nan 0.000 0.435 143 S N -1.261 114.439 115.700 -0.001 0.000 2.387 143 S HA -0.153 4.320 4.470 0.006 0.000 0.226 143 S C 1.563 176.111 174.600 -0.086 0.000 1.026 143 S CA 0.945 59.035 58.200 -0.183 0.000 0.972 143 S CB -0.374 62.450 63.200 -0.628 0.000 0.814 143 S HN 0.316 nan 8.310 nan 0.000 0.477 144 D N 2.028 122.374 120.400 -0.090 0.000 2.104 144 D HA -0.067 4.576 4.640 0.006 0.000 0.194 144 D C 2.059 178.266 176.300 -0.156 0.000 0.994 144 D CA 1.871 55.815 54.000 -0.094 0.000 0.830 144 D CB -0.965 39.795 40.800 -0.066 0.000 0.959 144 D HN 0.454 nan 8.370 nan 0.000 0.452 145 T N 0.392 114.745 114.554 -0.335 0.000 2.777 145 T HA -0.062 4.291 4.350 0.006 0.000 0.266 145 T C 1.973 176.691 174.700 0.029 0.000 1.040 145 T CA 1.392 63.269 62.100 -0.372 0.000 1.141 145 T CB -0.244 68.117 68.868 -0.845 0.000 0.868 145 T HN 0.197 nan 8.240 nan 0.000 0.444 146 A N 0.742 123.636 122.820 0.124 0.000 1.930 146 A HA 0.248 4.571 4.320 0.006 0.000 0.217 146 A C 2.293 180.070 177.584 0.321 0.000 1.175 146 A CA 1.678 53.918 52.037 0.338 0.000 0.627 146 A CB -0.635 18.596 19.000 0.384 0.000 0.815 146 A HN 0.540 nan 8.150 nan 0.000 0.443 147 G N -2.433 106.499 108.800 0.221 0.000 3.215 147 G HA2 0.233 4.196 3.960 0.006 0.000 0.236 147 G HA3 0.233 4.196 3.960 0.006 0.000 0.236 147 G C 0.239 175.248 174.900 0.182 0.000 1.029 147 G CA 0.546 45.747 45.100 0.168 0.000 0.909 147 G HN 0.376 nan 8.290 nan 0.000 0.543 148 N N 0.269 119.060 118.700 0.151 0.000 2.598 148 N HA 0.195 4.939 4.740 0.006 0.000 0.295 148 N C -0.501 174.995 175.510 -0.023 0.000 1.729 148 N CA -0.542 52.554 53.050 0.076 0.000 0.877 148 N CB 0.218 38.718 38.487 0.022 0.000 1.405 148 N HN 0.076 nan 8.380 nan 0.000 0.491 149 L N 1.515 122.674 121.223 -0.107 0.000 2.525 149 L HA 0.352 4.695 4.340 0.006 0.000 0.278 149 L C 0.321 177.009 176.870 -0.302 0.000 1.218 149 L CA 0.079 54.692 54.840 -0.379 0.000 0.878 149 L CB 0.381 41.871 42.059 -0.948 0.000 1.127 149 L HN 0.338 nan 8.230 nan 0.000 0.492 150 A N 6.140 128.830 122.820 -0.216 0.000 2.805 150 A HA 0.493 4.817 4.320 0.006 0.000 0.301 150 A C -0.488 176.998 177.584 -0.163 0.000 1.557 150 A CA -0.452 51.502 52.037 -0.138 0.000 1.254 150 A CB -0.664 18.293 19.000 -0.072 0.000 1.114 150 A HN 0.497 nan 8.150 nan 0.000 0.553 151 V N 3.441 123.249 119.914 -0.177 0.000 2.293 151 V HA 0.565 4.689 4.120 0.006 0.000 0.275 151 V C 0.228 176.260 176.094 -0.103 0.000 1.021 151 V CA 0.214 62.410 62.300 -0.173 0.000 0.815 151 V CB 0.433 32.122 31.823 -0.222 0.000 1.025 151 V HN 0.986 nan 8.190 nan 0.000 0.448 152 S N 2.587 118.235 115.700 -0.085 0.000 2.638 152 S HA 0.505 4.978 4.470 0.006 0.000 0.274 152 S C 0.471 175.040 174.600 -0.052 0.000 1.157 152 S CA -0.817 57.349 58.200 -0.056 0.000 0.826 152 S CB 2.014 65.190 63.200 -0.040 0.000 1.139 152 S HN 0.385 nan 8.310 nan 0.000 0.474 153 E N 0.669 120.848 120.200 -0.035 0.000 2.118 153 E HA -0.194 4.160 4.350 0.006 0.000 0.195 153 E C 1.701 178.284 176.600 -0.029 0.000 0.992 153 E CA 1.685 58.067 56.400 -0.030 0.000 0.804 153 E CB -0.331 29.359 29.700 -0.017 0.000 0.741 153 E HN 0.635 nan 8.360 nan 0.000 0.458 154 Q N -0.251 119.534 119.800 -0.025 0.000 2.046 154 Q HA -0.102 4.242 4.340 0.006 0.000 0.200 154 Q C 2.361 178.345 176.000 -0.027 0.000 0.975 154 Q CA 2.256 58.047 55.803 -0.021 0.000 0.836 154 Q CB -0.841 27.888 28.738 -0.015 0.000 0.896 154 Q HN 0.474 nan 8.270 nan 0.000 0.428 155 T N -2.374 112.158 114.554 -0.037 0.000 2.857 155 T HA -0.041 4.312 4.350 0.006 0.000 0.266 155 T C 1.928 176.597 174.700 -0.053 0.000 1.048 155 T CA 1.015 63.089 62.100 -0.043 0.000 1.139 155 T CB -0.603 68.231 68.868 -0.057 0.000 0.874 155 T HN 0.034 nan 8.240 nan 0.000 0.455 156 V N 2.815 122.691 119.914 -0.062 0.000 2.295 156 V HA -0.163 3.960 4.120 0.006 0.000 0.246 156 V C 2.845 178.912 176.094 -0.044 0.000 1.049 156 V CA 2.154 64.414 62.300 -0.067 0.000 1.024 156 V CB -1.114 30.660 31.823 -0.082 0.000 0.648 156 V HN 0.532 nan 8.190 nan 0.000 0.447 157 N N 0.608 119.288 118.700 -0.034 0.000 2.104 157 N HA -0.169 4.575 4.740 0.006 0.000 0.190 157 N C 1.734 177.231 175.510 -0.021 0.000 1.024 157 N CA 1.866 54.903 53.050 -0.023 0.000 0.853 157 N CB -0.368 38.108 38.487 -0.017 0.000 1.008 157 N HN 0.421 nan 8.380 nan 0.000 0.424 158 A N 0.230 123.036 122.820 -0.023 0.000 1.902 158 A HA 0.048 4.372 4.320 0.006 0.000 0.217 158 A C 2.354 179.923 177.584 -0.025 0.000 1.181 158 A CA 1.963 53.987 52.037 -0.021 0.000 0.623 158 A CB -1.281 17.708 19.000 -0.019 0.000 0.818 158 A HN 0.442 nan 8.150 nan 0.000 0.443 159 A N -0.393 122.407 122.820 -0.033 0.000 1.933 159 A HA -0.029 4.295 4.320 0.006 0.000 0.218 159 A C 2.074 179.641 177.584 -0.028 0.000 1.175 159 A CA 1.489 53.504 52.037 -0.037 0.000 0.628 159 A CB -0.544 18.427 19.000 -0.049 0.000 0.814 159 A HN 0.477 nan 8.150 nan 0.000 0.444 160 L N -0.446 120.763 121.223 -0.023 0.000 2.395 160 L HA -0.019 4.325 4.340 0.006 0.000 0.218 160 L C 1.188 178.051 176.870 -0.011 0.000 1.130 160 L CA 0.464 55.296 54.840 -0.013 0.000 0.826 160 L CB -0.263 41.789 42.059 -0.011 0.000 0.941 160 L HN 0.381 nan 8.230 nan 0.000 0.451 161 N N -0.226 118.466 118.700 -0.014 0.000 2.235 161 N HA 0.029 4.773 4.740 0.006 0.000 0.209 161 N C 0.426 175.928 175.510 -0.013 0.000 1.122 161 N CA 0.128 53.172 53.050 -0.011 0.000 0.845 161 N CB 0.462 38.943 38.487 -0.010 0.000 1.004 161 N HN 0.274 nan 8.380 nan 0.000 0.499 162 T N -2.299 112.245 114.554 -0.017 0.000 2.919 162 T HA 0.344 4.698 4.350 0.006 0.000 0.302 162 T C 1.475 176.165 174.700 -0.016 0.000 1.031 162 T CA -0.512 61.576 62.100 -0.021 0.000 1.127 162 T CB 1.913 70.763 68.868 -0.031 0.000 0.952 162 T HN 0.059 nan 8.240 nan 0.000 0.540 163 A N 2.915 125.725 122.820 -0.016 0.000 2.015 163 A HA 0.225 4.548 4.320 0.006 0.000 0.219 163 A C 1.533 179.109 177.584 -0.013 0.000 1.163 163 A CA 1.172 53.201 52.037 -0.013 0.000 0.646 163 A CB -0.846 18.147 19.000 -0.012 0.000 0.806 163 A HN 1.198 nan 8.150 nan 0.000 0.448 164 T N -3.709 110.834 114.554 -0.018 0.000 2.864 164 T HA 0.525 4.878 4.350 0.006 0.000 0.289 164 T C -1.520 173.168 174.700 -0.020 0.000 1.082 164 T CA -0.451 61.638 62.100 -0.018 0.000 1.009 164 T CB 1.806 70.660 68.868 -0.023 0.000 1.234 164 T HN -0.021 nan 8.240 nan 0.000 0.526 165 D N 1.371 121.763 120.400 -0.013 0.000 2.460 165 D HA 0.422 5.066 4.640 0.006 0.000 0.232 165 D C -1.286 174.998 176.300 -0.027 0.000 1.079 165 D CA -2.327 51.669 54.000 -0.008 0.000 0.864 165 D CB 1.449 42.270 40.800 0.036 0.000 1.048 165 D HN 0.320 nan 8.370 nan 0.000 0.523 166 P HA 0.118 nan 4.420 nan 0.000 0.241 166 P C -0.015 177.228 177.300 -0.096 0.000 1.191 166 P CA -0.000 63.044 63.100 -0.094 0.000 0.771 166 P CB 0.359 31.968 31.700 -0.151 0.000 0.929 167 I N 0.870 121.377 120.570 -0.105 0.000 2.315 167 I HA 0.386 4.559 4.170 0.006 0.000 0.291 167 I C 0.844 176.977 176.117 0.027 0.000 1.006 167 I CA -1.680 59.528 61.300 -0.154 0.000 1.265 167 I CB 0.521 38.228 38.000 -0.489 0.000 1.387 167 I HN -0.123 nan 8.210 nan 0.000 0.475 168 A N 5.673 128.521 122.820 0.048 0.000 2.242 168 A HA 0.816 5.139 4.320 0.006 0.000 0.304 168 A C 0.397 178.063 177.584 0.136 0.000 1.100 168 A CA -0.288 51.806 52.037 0.094 0.000 0.860 168 A CB 0.637 19.670 19.000 0.055 0.000 1.168 168 A HN 0.764 nan 8.150 nan 0.000 0.503 169 T N -2.492 112.095 114.554 0.056 0.000 2.942 169 T HA 0.661 5.015 4.350 0.006 0.000 0.289 169 T C -0.888 173.823 174.700 0.018 0.000 1.044 169 T CA -0.400 61.687 62.100 -0.021 0.000 1.023 169 T CB 1.219 69.998 68.868 -0.149 0.000 1.123 169 T HN 0.744 nan 8.240 nan 0.000 0.512 170 F N 2.145 121.999 119.950 -0.160 0.000 2.493 170 F HA 0.608 5.139 4.527 0.007 0.000 0.329 170 F C -2.735 172.994 175.800 -0.117 0.000 1.126 170 F CA -2.522 55.422 58.000 -0.095 0.000 0.937 170 F CB 1.689 40.718 39.000 0.049 0.000 1.146 170 F HN 0.389 nan 8.300 nan 0.000 0.442 171 P HA -0.029 nan 4.420 nan 0.000 0.269 171 P C 0.225 177.220 177.300 -0.507 0.000 1.211 171 P CA 0.294 62.659 63.100 -1.225 0.000 0.781 171 P CB 0.555 31.472 31.700 -1.305 0.000 0.877 172 Q N 1.544 121.173 119.800 -0.285 0.000 2.170 172 Q HA -0.185 4.158 4.340 0.006 0.000 0.203 172 Q C 0.184 176.110 176.000 -0.124 0.000 0.976 172 Q CA 1.342 57.076 55.803 -0.114 0.000 0.858 172 Q CB -0.063 28.656 28.738 -0.031 0.000 0.907 172 Q HN 0.291 nan 8.270 nan 0.000 0.433 173 N N 0.122 118.725 118.700 -0.163 0.000 2.623 173 N HA 0.114 4.858 4.740 0.006 0.000 0.256 173 N C 0.088 175.530 175.510 -0.112 0.000 1.045 173 N CA -0.256 52.734 53.050 -0.100 0.000 0.863 173 N CB 0.757 39.221 38.487 -0.039 0.000 1.182 173 N HN 0.110 nan 8.380 nan 0.000 0.523 174 I N 1.358 121.871 120.570 -0.095 0.000 2.676 174 I HA -0.105 4.068 4.170 0.006 0.000 0.259 174 I C 1.421 177.642 176.117 0.173 0.000 1.194 174 I CA 0.859 62.176 61.300 0.027 0.000 1.473 174 I CB -0.405 37.602 38.000 0.011 0.000 1.096 174 I HN 0.585 nan 8.210 nan 0.000 0.443 175 Q N 0.815 120.661 119.800 0.078 0.000 2.451 175 Q HA 0.056 4.399 4.340 0.006 0.000 0.206 175 Q C 0.421 176.482 176.000 0.101 0.000 0.947 175 Q CA 0.061 55.910 55.803 0.077 0.000 0.937 175 Q CB -0.196 28.561 28.738 0.031 0.000 1.025 175 Q HN 0.549 nan 8.270 nan 0.000 0.511 176 E N 2.493 122.773 120.200 0.134 0.000 2.558 176 E HA -0.065 4.289 4.350 0.006 0.000 0.255 176 E C -1.645 175.069 176.600 0.190 0.000 0.968 176 E CA -1.084 55.415 56.400 0.166 0.000 0.939 176 E CB 0.493 30.328 29.700 0.224 0.000 0.921 176 E HN 0.001 nan 8.360 nan 0.000 0.477 177 P HA -0.208 nan 4.420 nan 0.000 0.217 177 P C 1.145 178.564 177.300 0.199 0.000 1.148 177 P CA 1.065 64.246 63.100 0.137 0.000 0.828 177 P CB -0.036 31.727 31.700 0.105 0.000 0.783 178 W N -0.706 120.658 121.300 0.106 0.000 2.335 178 W HA -0.200 4.462 4.660 0.004 0.000 0.311 178 W C 1.910 178.564 176.519 0.225 0.000 1.213 178 W CA 1.067 58.501 57.345 0.149 0.000 1.274 178 W CB -1.139 28.401 29.460 0.134 0.000 1.148 178 W HN 0.079 nan 8.180 nan 0.000 0.498 179 W N 2.090 123.262 121.300 -0.214 0.000 2.358 179 W HA -0.224 4.438 4.660 0.003 0.000 0.303 179 W C 2.318 178.659 176.519 -0.297 0.000 1.208 179 W CA 1.203 58.339 57.345 -0.347 0.000 1.274 179 W CB -0.212 29.176 29.460 -0.121 0.000 1.138 179 W HN -0.149 nan 8.180 nan 0.000 0.515 180 R N -0.215 120.183 120.500 -0.171 0.000 2.091 180 R HA -0.237 4.107 4.340 0.006 0.000 0.238 180 R C 1.913 178.037 176.300 -0.294 0.000 1.136 180 R CA 1.683 57.648 56.100 -0.225 0.000 0.959 180 R CB -1.777 28.486 30.300 -0.062 0.000 0.856 180 R HN 0.396 nan 8.270 nan 0.000 0.437 181 Y N 1.471 121.554 120.300 -0.361 0.000 2.163 181 Y HA -0.202 4.361 4.550 0.021 0.000 0.288 181 Y C 2.560 178.123 175.900 -0.561 0.000 1.136 181 Y CA 1.785 59.661 58.100 -0.372 0.000 1.147 181 Y CB -0.195 38.113 38.460 -0.253 0.000 0.987 181 Y HN -0.132 nan 8.280 nan 0.000 0.509 182 R N 0.546 120.520 120.500 -0.877 0.000 2.120 182 R HA -0.094 4.249 4.340 0.006 0.000 0.234 182 R C 2.053 177.774 176.300 -0.965 0.000 1.123 182 R CA 1.505 56.990 56.100 -1.025 0.000 0.975 182 R CB -0.829 28.734 30.300 -1.227 0.000 0.866 182 R HN 0.523 nan 8.270 nan 0.000 0.446 183 L N 0.384 120.963 121.223 -1.074 0.000 2.362 183 L HA -0.064 4.280 4.340 0.006 0.000 0.219 183 L C 0.458 176.962 176.870 -0.610 0.000 1.134 183 L CA 0.722 54.999 54.840 -0.939 0.000 0.807 183 L CB -0.264 41.254 42.059 -0.900 0.000 0.927 183 L HN 0.078 nan 8.230 nan 0.000 0.447 184 K N 0.304 120.361 120.400 -0.572 0.000 2.451 184 K HA 0.159 4.483 4.320 0.006 0.000 0.280 184 K C 1.097 177.482 176.600 -0.360 0.000 1.020 184 K CA 0.682 56.715 56.287 -0.423 0.000 1.008 184 K CB 0.327 32.569 32.500 -0.431 0.000 0.917 184 K HN 0.231 nan 8.250 nan 0.000 0.478 185 G N 1.477 110.118 108.800 -0.266 0.000 2.176 185 G HA2 -0.308 3.655 3.960 0.006 0.000 0.253 185 G HA3 -0.308 3.655 3.960 0.006 0.000 0.253 185 G C 0.186 174.966 174.900 -0.200 0.000 0.979 185 G CA 0.456 45.431 45.100 -0.207 0.000 0.641 185 G HN 0.708 nan 8.290 nan 0.000 0.530 186 S N -0.406 115.142 115.700 -0.252 0.000 2.707 186 S HA 0.689 5.163 4.470 0.006 0.000 0.276 186 S C 1.514 176.006 174.600 -0.179 0.000 1.179 186 S CA 0.761 58.816 58.200 -0.242 0.000 0.992 186 S CB 1.669 64.650 63.200 -0.364 0.000 1.030 186 S HN 1.476 nan 8.310 nan 0.000 0.554 187 S N 0.044 115.655 115.700 -0.148 0.000 2.603 187 S HA 0.155 4.629 4.470 0.006 0.000 0.220 187 S C 1.158 175.732 174.600 -0.044 0.000 0.967 187 S CA -0.178 57.977 58.200 -0.076 0.000 0.920 187 S CB -0.862 62.304 63.200 -0.057 0.000 0.773 187 S HN 0.656 nan 8.310 nan 0.000 0.529 188 L N 0.745 121.871 121.223 -0.163 0.000 2.529 188 L HA 0.296 4.640 4.340 0.006 0.000 0.223 188 L C 0.193 177.071 176.870 0.013 0.000 1.113 188 L CA -0.231 54.509 54.840 -0.167 0.000 0.861 188 L CB -0.307 41.337 42.059 -0.692 0.000 1.012 188 L HN 0.296 nan 8.230 nan 0.000 0.461 189 I N 1.567 122.096 120.570 -0.068 0.000 2.752 189 I HA 0.003 4.177 4.170 0.006 0.000 0.289 189 I C 1.572 177.649 176.117 -0.066 0.000 1.197 189 I CA 1.048 62.303 61.300 -0.075 0.000 1.432 189 I CB -0.351 37.577 38.000 -0.121 0.000 1.359 189 I HN 0.400 nan 8.210 nan 0.000 0.571 190 G N 5.772 114.509 108.800 -0.105 0.000 2.168 190 G HA2 -0.269 3.694 3.960 0.006 0.000 0.263 190 G HA3 -0.269 3.694 3.960 0.006 0.000 0.263 190 G C 0.568 175.239 174.900 -0.382 0.000 0.977 190 G CA 0.026 44.992 45.100 -0.223 0.000 0.659 190 G HN 0.784 nan 8.290 nan 0.000 0.533 191 H N 0.766 119.871 119.070 0.058 0.000 2.481 191 H HA 0.221 4.781 4.556 0.005 0.000 0.273 191 H C -0.150 175.229 175.328 0.085 0.000 1.145 191 H CA -0.470 55.630 56.048 0.086 0.000 0.964 191 H CB 0.238 30.098 29.762 0.163 0.000 1.722 191 H HN 0.304 nan 8.280 nan 0.000 0.573 192 D N 2.956 123.413 120.400 0.095 0.000 2.581 192 D HA -0.052 4.592 4.640 0.006 0.000 0.238 192 D C -1.170 175.020 176.300 -0.183 0.000 1.145 192 D CA -0.941 53.045 54.000 -0.023 0.000 0.866 192 D CB 1.287 42.066 40.800 -0.035 0.000 1.151 192 D HN 0.228 nan 8.370 nan 0.000 0.500 193 P HA 0.024 nan 4.420 nan 0.000 0.236 193 P C 0.877 177.932 177.300 -0.409 0.000 1.177 193 P CA 0.524 63.393 63.100 -0.385 0.000 0.773 193 P CB 0.512 31.881 31.700 -0.550 0.000 0.878 194 G N -0.525 107.989 108.800 -0.477 0.000 3.690 194 G HA2 0.065 4.028 3.960 0.006 0.000 0.283 194 G HA3 0.065 4.028 3.960 0.006 0.000 0.283 194 G C 0.202 174.829 174.900 -0.456 0.000 1.057 194 G CA -0.172 44.424 45.100 -0.840 0.000 0.821 194 G HN 0.227 nan 8.290 nan 0.000 0.526 195 Q N 1.026 120.673 119.800 -0.255 0.000 2.337 195 Q HA 0.203 4.546 4.340 0.006 0.000 0.270 195 Q C -2.270 173.688 176.000 -0.070 0.000 1.002 195 Q CA -1.247 54.480 55.803 -0.127 0.000 0.888 195 Q CB 0.774 29.457 28.738 -0.092 0.000 1.222 195 Q HN 0.100 nan 8.270 nan 0.000 0.400 196 P HA -0.032 nan 4.420 nan 0.000 0.272 196 P C -0.799 176.514 177.300 0.022 0.000 1.223 196 P CA -0.330 62.776 63.100 0.010 0.000 0.784 196 P CB 0.538 32.240 31.700 0.004 0.000 0.923 197 V N -0.209 119.740 119.914 0.058 0.000 2.963 197 V HA 0.199 4.323 4.120 0.006 0.000 0.306 197 V C 0.119 176.245 176.094 0.054 0.000 1.077 197 V CA -0.126 62.228 62.300 0.089 0.000 1.124 197 V CB -0.275 31.640 31.823 0.154 0.000 0.987 197 V HN 0.471 nan 8.190 nan 0.000 0.487 198 T N 4.917 119.501 114.554 0.050 0.000 2.870 198 T HA 0.252 4.606 4.350 0.006 0.000 0.300 198 T C -0.036 174.694 174.700 0.050 0.000 0.989 198 T CA 0.094 62.213 62.100 0.032 0.000 1.139 198 T CB 0.167 69.041 68.868 0.010 0.000 0.920 198 T HN 0.861 nan 8.240 nan 0.000 0.537 199 Q N 2.392 122.210 119.800 0.031 0.000 2.266 199 Q HA 0.436 4.779 4.340 0.006 0.000 0.261 199 Q C -2.165 173.849 176.000 0.022 0.000 0.985 199 Q CA -2.000 53.820 55.803 0.028 0.000 0.873 199 Q CB 0.818 29.566 28.738 0.018 0.000 1.306 199 Q HN 0.467 nan 8.270 nan 0.000 0.447 200 P HA 0.107 nan 4.420 nan 0.000 0.275 200 P C -1.002 176.323 177.300 0.043 0.000 1.228 200 P CA -0.409 62.706 63.100 0.025 0.000 0.786 200 P CB 0.537 32.248 31.700 0.019 0.000 0.927 201 V N 2.628 122.566 119.914 0.039 0.000 2.530 201 V HA 0.042 4.165 4.120 0.006 0.000 0.282 201 V C 0.618 176.743 176.094 0.051 0.000 1.048 201 V CA -0.179 62.157 62.300 0.060 0.000 0.997 201 V CB 0.858 32.683 31.823 0.003 0.000 0.987 201 V HN 0.597 nan 8.190 nan 0.000 0.477 202 D N 4.320 124.781 120.400 0.103 0.000 2.402 202 D HA 0.108 4.751 4.640 0.006 0.000 0.235 202 D C 0.927 177.258 176.300 0.051 0.000 1.226 202 D CA 0.022 54.076 54.000 0.090 0.000 0.918 202 D CB 1.371 42.254 40.800 0.138 0.000 1.043 202 D HN 0.268 nan 8.370 nan 0.000 0.506 203 V N 4.123 124.038 119.914 0.001 0.000 2.490 203 V HA -0.183 3.940 4.120 0.006 0.000 0.250 203 V C 2.256 178.342 176.094 -0.014 0.000 1.061 203 V CA 1.299 63.571 62.300 -0.047 0.000 1.064 203 V CB -0.238 31.558 31.823 -0.045 0.000 0.670 203 V HN 0.511 nan 8.190 nan 0.000 0.461 204 E N 0.256 120.474 120.200 0.030 0.000 2.110 204 E HA -0.238 4.115 4.350 0.006 0.000 0.193 204 E C 2.187 178.849 176.600 0.103 0.000 0.988 204 E CA 1.230 57.663 56.400 0.056 0.000 0.804 204 E CB -0.183 29.551 29.700 0.056 0.000 0.745 204 E HN 0.586 nan 8.360 nan 0.000 0.458 205 K N 0.575 121.062 120.400 0.145 0.000 2.097 205 K HA -0.111 4.213 4.320 0.006 0.000 0.205 205 K C 2.204 179.008 176.600 0.340 0.000 1.050 205 K CA 0.437 56.881 56.287 0.261 0.000 0.938 205 K CB -0.077 32.617 32.500 0.323 0.000 0.718 205 K HN -0.020 nan 8.250 nan 0.000 0.442 206 L N 1.780 123.050 121.223 0.078 0.000 2.046 206 L HA -0.174 4.170 4.340 0.006 0.000 0.208 206 L C 1.720 178.636 176.870 0.077 0.000 1.077 206 L CA 1.852 56.537 54.840 -0.259 0.000 0.747 206 L CB -0.262 41.397 42.059 -0.666 0.000 0.896 206 L HN 0.061 nan 8.230 nan 0.000 0.432 207 K N -1.030 119.416 120.400 0.078 0.000 2.097 207 K HA -0.169 4.154 4.320 0.006 0.000 0.205 207 K C 2.097 178.842 176.600 0.242 0.000 1.050 207 K CA 1.637 58.010 56.287 0.144 0.000 0.938 207 K CB -0.198 32.353 32.500 0.085 0.000 0.718 207 K HN 0.510 nan 8.250 nan 0.000 0.442 208 Q N -0.110 119.826 119.800 0.226 0.000 2.084 208 Q HA -0.165 4.178 4.340 0.006 0.000 0.202 208 Q C 1.966 178.138 176.000 0.287 0.000 0.978 208 Q CA 1.434 57.364 55.803 0.212 0.000 0.844 208 Q CB -0.177 28.677 28.738 0.193 0.000 0.898 208 Q HN 0.276 nan 8.270 nan 0.000 0.426 209 F N 0.329 120.457 119.950 0.298 0.000 2.102 209 F HA -0.307 4.223 4.527 0.006 0.000 0.298 209 F C 2.229 178.304 175.800 0.459 0.000 1.105 209 F CA 1.574 59.849 58.000 0.458 0.000 1.239 209 F CB -0.392 38.974 39.000 0.611 0.000 0.991 209 F HN 0.087 nan 8.300 nan 0.000 0.474 210 Y N 1.394 121.892 120.300 0.330 0.000 2.165 210 Y HA -0.285 4.268 4.550 0.006 0.000 0.286 210 Y C 2.410 178.354 175.900 0.074 0.000 1.155 210 Y CA 2.335 60.499 58.100 0.106 0.000 1.164 210 Y CB -0.885 37.563 38.460 -0.020 0.000 0.978 210 Y HN 0.263 nan 8.280 nan 0.000 0.513 211 Q N -0.343 119.420 119.800 -0.063 0.000 2.123 211 Q HA -0.231 4.112 4.340 0.006 0.000 0.199 211 Q C 2.379 178.262 176.000 -0.195 0.000 0.966 211 Q CA 1.514 57.197 55.803 -0.200 0.000 0.845 211 Q CB -0.195 28.515 28.738 -0.047 0.000 0.907 211 Q HN 0.655 nan 8.270 nan 0.000 0.439 212 Q N -0.397 119.276 119.800 -0.211 0.000 2.084 212 Q HA -0.184 4.159 4.340 0.006 0.000 0.202 212 Q C 0.957 176.603 176.000 -0.591 0.000 0.978 212 Q CA 1.524 57.046 55.803 -0.469 0.000 0.844 212 Q CB 0.069 28.412 28.738 -0.660 0.000 0.898 212 Q HN 0.466 nan 8.270 nan 0.000 0.426 213 W N -1.647 119.543 121.300 -0.184 0.000 2.993 213 W HA 0.194 4.859 4.660 0.007 0.000 0.290 213 W C -0.233 176.281 176.519 -0.008 0.000 1.203 213 W CA -0.698 56.558 57.345 -0.150 0.000 1.582 213 W CB 0.653 29.906 29.460 -0.346 0.000 1.033 213 W HN -0.012 nan 8.180 nan 0.000 0.594 214 Y N 2.361 122.616 120.300 -0.075 0.000 2.802 214 Y HA 0.281 4.835 4.550 0.006 0.000 0.330 214 Y C 0.708 176.539 175.900 -0.115 0.000 1.193 214 Y CA -0.880 57.166 58.100 -0.089 0.000 1.427 214 Y CB -0.396 37.914 38.460 -0.250 0.000 1.357 214 Y HN -0.258 nan 8.280 nan 0.000 0.501 215 T N -0.531 114.048 114.554 0.041 0.000 2.885 215 T HA 0.361 4.715 4.350 0.006 0.000 0.285 215 T C -2.047 172.695 174.700 0.069 0.000 1.019 215 T CA -2.533 59.583 62.100 0.027 0.000 1.010 215 T CB 2.513 71.372 68.868 -0.016 0.000 1.022 215 T HN 0.079 nan 8.240 nan 0.000 0.466 216 P HA -0.060 nan 4.420 nan 0.000 0.221 216 P C 1.020 178.388 177.300 0.112 0.000 1.150 216 P CA 0.986 64.222 63.100 0.227 0.000 0.800 216 P CB 0.008 31.874 31.700 0.277 0.000 0.787 217 D N -0.167 120.266 120.400 0.055 0.000 2.378 217 D HA -0.001 4.642 4.640 0.006 0.000 0.222 217 D C 0.820 177.105 176.300 -0.025 0.000 0.980 217 D CA 0.302 54.306 54.000 0.007 0.000 0.907 217 D CB -0.305 40.500 40.800 0.008 0.000 0.899 217 D HN 0.105 nan 8.370 nan 0.000 0.527 221 L N 3.881 124.792 121.223 -0.520 0.000 2.289 221 L HA 0.750 5.094 4.340 0.006 0.000 0.285 221 L C -1.567 175.223 176.870 -0.133 0.000 1.049 221 L CA -0.214 54.540 54.840 -0.144 0.000 0.804 221 L CB 0.353 42.429 42.059 0.027 0.000 1.195 221 L HN 0.687 nan 8.230 nan 0.000 0.428 222 Y N 3.792 124.178 120.300 0.145 0.000 2.429 222 Y HA 0.733 5.287 4.550 0.006 0.000 0.342 222 Y C -0.409 175.644 175.900 0.254 0.000 1.004 222 Y CA -0.984 57.258 58.100 0.236 0.000 1.075 222 Y CB 2.125 40.692 38.460 0.179 0.000 1.214 222 Y HN 0.273 nan 8.280 nan 0.000 0.455 223 V N 3.656 123.832 119.914 0.437 0.000 2.686 223 V HA 0.554 4.677 4.120 0.006 0.000 0.306 223 V C -1.035 175.180 176.094 0.203 0.000 1.065 223 V CA -0.856 61.608 62.300 0.273 0.000 0.894 223 V CB 1.974 33.910 31.823 0.188 0.000 1.004 223 V HN 0.525 nan 8.190 nan 0.000 0.424 224 V N 3.195 123.190 119.914 0.135 0.000 2.531 224 V HA 1.042 5.166 4.120 0.006 0.000 0.301 224 V C 0.394 176.492 176.094 0.007 0.000 1.034 224 V CA 0.378 62.691 62.300 0.021 0.000 0.865 224 V CB 1.412 33.274 31.823 0.065 0.000 0.995 224 V HN 1.278 nan 8.190 nan 0.000 0.424 225 G N 3.342 112.122 108.800 -0.033 0.000 2.337 225 G HA2 0.151 4.115 3.960 0.006 0.000 0.298 225 G HA3 0.151 4.115 3.960 0.006 0.000 0.298 225 G C -1.269 173.614 174.900 -0.029 0.000 1.335 225 G CA -0.827 44.259 45.100 -0.023 0.000 0.875 225 G HN 0.628 nan 8.290 nan 0.000 0.579 226 N N 0.373 119.060 118.700 -0.022 0.000 3.124 226 N HA 0.392 5.136 4.740 0.006 0.000 0.284 226 N C 0.443 175.945 175.510 -0.014 0.000 1.209 226 N CA 0.315 53.353 53.050 -0.019 0.000 1.149 226 N CB 0.074 38.551 38.487 -0.017 0.000 1.434 226 N HN 1.034 nan 8.380 nan 0.000 0.529 227 V N -0.874 119.032 119.914 -0.013 0.000 3.193 227 V HA 0.547 4.670 4.120 0.006 0.000 0.320 227 V C 0.164 176.252 176.094 -0.010 0.000 1.112 227 V CA -1.112 61.182 62.300 -0.010 0.000 1.026 227 V CB 1.572 33.392 31.823 -0.005 0.000 1.128 227 V HN 0.240 nan 8.190 nan 0.000 0.452 228 D N 0.831 121.224 120.400 -0.012 0.000 2.411 228 D HA 0.308 4.952 4.640 0.006 0.000 0.225 228 D C 1.042 177.333 176.300 -0.014 0.000 1.156 228 D CA 0.268 54.261 54.000 -0.011 0.000 0.874 228 D CB 1.303 42.095 40.800 -0.014 0.000 1.034 228 D HN 0.603 nan 8.370 nan 0.000 0.502 229 S N 3.575 119.274 115.700 -0.002 0.000 2.399 229 S HA -0.145 4.329 4.470 0.006 0.000 0.231 229 S C 1.750 176.346 174.600 -0.006 0.000 1.022 229 S CA 0.636 58.841 58.200 0.008 0.000 0.983 229 S CB 0.136 63.360 63.200 0.041 0.000 0.803 229 S HN 0.562 nan 8.310 nan 0.000 0.480 230 R N 0.865 121.364 120.500 -0.002 0.000 2.062 230 R HA -0.020 4.324 4.340 0.006 0.000 0.229 230 R C 2.597 178.876 176.300 -0.035 0.000 1.128 230 R CA 1.532 57.628 56.100 -0.006 0.000 0.960 230 R CB -0.534 29.769 30.300 0.005 0.000 0.855 230 R HN 0.347 nan 8.270 nan 0.000 0.432 231 S N 0.388 116.066 115.700 -0.036 0.000 2.368 231 S HA -0.124 4.350 4.470 0.006 0.000 0.225 231 S C 1.944 176.498 174.600 -0.076 0.000 1.030 231 S CA 1.275 59.447 58.200 -0.048 0.000 0.999 231 S CB -0.224 62.954 63.200 -0.036 0.000 0.844 231 S HN 0.453 nan 8.310 nan 0.000 0.459 232 I N 0.945 121.464 120.570 -0.085 0.000 2.353 232 I HA -0.069 4.104 4.170 0.006 0.000 0.248 232 I C 2.493 178.471 176.117 -0.232 0.000 1.119 232 I CA 1.019 62.249 61.300 -0.116 0.000 1.417 232 I CB -0.572 37.382 38.000 -0.077 0.000 1.078 232 I HN 0.430 nan 8.210 nan 0.000 0.421 233 A N 0.836 123.475 122.820 -0.302 0.000 1.883 233 A HA -0.231 4.092 4.320 0.006 0.000 0.217 233 A C 2.465 179.852 177.584 -0.327 0.000 1.186 233 A CA 1.930 53.646 52.037 -0.535 0.000 0.624 233 A CB -0.933 17.851 19.000 -0.360 0.000 0.822 233 A HN 0.524 nan 8.150 nan 0.000 0.444 234 A N -1.021 121.697 122.820 -0.169 0.000 1.930 234 A HA -0.188 4.136 4.320 0.006 0.000 0.217 234 A C 2.122 179.637 177.584 -0.115 0.000 1.175 234 A CA 1.618 53.590 52.037 -0.109 0.000 0.627 234 A CB -0.508 18.453 19.000 -0.065 0.000 0.815 234 A HN 0.666 nan 8.150 nan 0.000 0.443 235 Q N -0.651 119.076 119.800 -0.122 0.000 2.119 235 Q HA -0.063 4.280 4.340 0.006 0.000 0.201 235 Q C 1.999 177.932 176.000 -0.112 0.000 0.972 235 Q CA 1.345 57.084 55.803 -0.106 0.000 0.847 235 Q CB -0.267 28.421 28.738 -0.084 0.000 0.903 235 Q HN 0.741 nan 8.270 nan 0.000 0.433 236 I N 0.019 120.508 120.570 -0.135 0.000 2.179 236 I HA -0.294 3.880 4.170 0.006 0.000 0.242 236 I C 2.591 178.689 176.117 -0.032 0.000 1.088 236 I CA 0.931 62.207 61.300 -0.040 0.000 1.357 236 I CB -0.314 37.536 38.000 -0.251 0.000 1.051 236 I HN 0.149 nan 8.210 nan 0.000 0.409 237 S N 0.579 116.212 115.700 -0.112 0.000 2.370 237 S HA -0.231 4.243 4.470 0.006 0.000 0.226 237 S C 2.033 176.593 174.600 -0.067 0.000 1.033 237 S CA 1.690 59.866 58.200 -0.040 0.000 1.011 237 S CB -0.067 63.121 63.200 -0.021 0.000 0.852 237 S HN 0.191 nan 8.310 nan 0.000 0.457 238 K N 1.264 121.605 120.400 -0.097 0.000 2.155 238 K HA 0.267 4.591 4.320 0.006 0.000 0.203 238 K C 2.048 178.533 176.600 -0.192 0.000 1.052 238 K CA 1.085 57.302 56.287 -0.117 0.000 0.948 238 K CB -0.704 31.735 32.500 -0.103 0.000 0.728 238 K HN 0.390 nan 8.250 nan 0.000 0.448 239 A N -0.914 121.730 122.820 -0.293 0.000 1.929 239 A HA 0.001 4.324 4.320 0.006 0.000 0.216 239 A C 1.480 178.614 177.584 -0.749 0.000 1.176 239 A CA 1.111 52.797 52.037 -0.584 0.000 0.628 239 A CB -0.304 18.190 19.000 -0.843 0.000 0.816 239 A HN 0.282 nan 8.150 nan 0.000 0.444 240 F N -1.490 118.270 119.950 -0.317 0.000 2.706 240 F HA 0.195 4.725 4.527 0.006 0.000 0.313 240 F C 2.143 177.729 175.800 -0.355 0.000 1.096 240 F CA 0.263 57.955 58.000 -0.513 0.000 1.219 240 F CB 0.408 38.652 39.000 -1.261 0.000 1.051 240 F HN 0.018 nan 8.300 nan 0.000 0.568 241 S N 0.066 115.718 115.700 -0.080 0.000 2.481 241 S HA -0.158 4.316 4.470 0.006 0.000 0.231 241 S C 1.883 176.476 174.600 -0.011 0.000 0.996 241 S CA 1.000 59.191 58.200 -0.016 0.000 0.942 241 S CB -0.129 63.070 63.200 -0.002 0.000 0.768 241 S HN 0.296 nan 8.310 nan 0.000 0.520 242 E N 0.971 121.148 120.200 -0.039 0.000 2.478 242 E HA 0.146 4.500 4.350 0.006 0.000 0.194 242 E C 0.075 176.672 176.600 -0.005 0.000 1.045 242 E CA -0.072 56.313 56.400 -0.025 0.000 0.868 242 E CB -0.139 29.534 29.700 -0.045 0.000 0.885 242 E HN 0.413 nan 8.360 nan 0.000 0.505 243 L N 1.405 122.635 121.223 0.011 0.000 2.485 243 L HA 0.100 4.443 4.340 0.006 0.000 0.275 243 L C 0.454 177.349 176.870 0.042 0.000 1.207 243 L CA 0.552 55.418 54.840 0.044 0.000 0.855 243 L CB 0.432 42.550 42.059 0.099 0.000 1.114 243 L HN -0.039 nan 8.230 nan 0.000 0.485 244 K N 0.950 121.367 120.400 0.028 0.000 2.350 244 K HA 0.824 5.147 4.320 0.006 0.000 0.241 244 K C -0.257 176.343 176.600 -0.001 0.000 0.994 244 K CA -0.430 55.864 56.287 0.012 0.000 0.839 244 K CB 2.094 34.594 32.500 -0.001 0.000 1.244 244 K HN 0.776 nan 8.250 nan 0.000 0.443 245 G N 1.187 109.980 108.800 -0.011 0.000 2.587 245 G HA2 -0.050 3.914 3.960 0.006 0.000 0.686 245 G HA3 -0.050 3.914 3.960 0.006 0.000 0.686 245 G C -1.650 173.235 174.900 -0.025 0.000 1.236 245 G CA -0.825 44.254 45.100 -0.034 0.000 0.820 245 G HN 0.512 nan 8.290 nan 0.000 0.645 246 K N 0.097 120.467 120.400 -0.049 0.000 2.542 246 K HA 0.530 4.854 4.320 0.006 0.000 0.259 246 K C -0.153 176.403 176.600 -0.072 0.000 0.932 246 K CA -1.120 55.144 56.287 -0.039 0.000 0.820 246 K CB 1.215 33.699 32.500 -0.026 0.000 1.345 246 K HN 0.540 nan 8.250 nan 0.000 0.432 247 R N 1.917 122.383 120.500 -0.057 0.000 2.442 247 R HA 0.034 4.378 4.340 0.006 0.000 0.291 247 R C 1.141 177.406 176.300 -0.059 0.000 1.069 247 R CA 0.235 56.290 56.100 -0.075 0.000 1.022 247 R CB 0.999 31.293 30.300 -0.009 0.000 0.976 247 R HN 0.940 nan 8.270 nan 0.000 0.443 248 T N -0.714 113.790 114.554 -0.084 0.000 2.951 248 T HA 0.069 4.423 4.350 0.006 0.000 0.268 248 T C 0.811 175.503 174.700 -0.013 0.000 1.073 248 T CA 0.792 62.863 62.100 -0.048 0.000 1.134 248 T CB 0.274 69.109 68.868 -0.055 0.000 0.884 248 T HN 0.555 nan 8.240 nan 0.000 0.479 249 A N 1.581 124.406 122.820 0.009 0.000 2.350 249 A HA 0.779 5.103 4.320 0.006 0.000 0.318 249 A C -2.663 174.957 177.584 0.060 0.000 1.132 249 A CA -2.074 49.989 52.037 0.043 0.000 0.811 249 A CB 0.479 19.523 19.000 0.072 0.000 1.313 249 A HN 0.325 nan 8.150 nan 0.000 0.454 250 P HA 0.352 nan 4.420 nan 0.000 0.267 250 P C -0.019 177.336 177.300 0.093 0.000 1.200 250 P CA 0.172 63.306 63.100 0.058 0.000 0.772 250 P CB 0.429 32.155 31.700 0.043 0.000 0.855 251 A N 2.680 125.555 122.820 0.092 0.000 2.520 251 A HA 0.405 4.729 4.320 0.006 0.000 0.235 251 A C 0.686 178.323 177.584 0.089 0.000 1.065 251 A CA 0.104 52.211 52.037 0.117 0.000 0.764 251 A CB -0.515 18.541 19.000 0.094 0.000 1.002 251 A HN 0.685 nan 8.150 nan 0.000 0.502 252 A N 1.457 124.323 122.820 0.076 0.000 2.565 252 A HA 0.440 4.764 4.320 0.006 0.000 0.237 252 A C 0.067 177.693 177.584 0.070 0.000 1.053 252 A CA 0.242 52.306 52.037 0.046 0.000 0.755 252 A CB -0.230 18.762 19.000 -0.013 0.000 0.980 252 A HN 1.268 nan 8.150 nan 0.000 0.506 253 V N 2.177 122.135 119.914 0.073 0.000 2.487 253 V HA 0.565 4.689 4.120 0.006 0.000 0.298 253 V C 0.563 176.731 176.094 0.124 0.000 1.028 253 V CA -0.247 62.114 62.300 0.101 0.000 0.860 253 V CB 1.470 33.341 31.823 0.080 0.000 0.991 253 V HN 1.222 nan 8.190 nan 0.000 0.427 254 A N 3.765 126.711 122.820 0.211 0.000 2.362 254 A HA 0.714 5.037 4.320 0.006 0.000 0.276 254 A C 0.424 178.189 177.584 0.301 0.000 1.153 254 A CA -0.029 52.158 52.037 0.251 0.000 0.813 254 A CB 0.219 19.502 19.000 0.472 0.000 1.081 254 A HN 1.023 nan 8.150 nan 0.000 0.507 255 T N 1.072 115.693 114.554 0.111 0.000 2.886 255 T HA 0.659 5.012 4.350 0.006 0.000 0.292 255 T C -0.499 174.156 174.700 -0.074 0.000 1.012 255 T CA -0.624 61.527 62.100 0.085 0.000 0.982 255 T CB 0.756 69.654 68.868 0.050 0.000 1.018 255 T HN 0.415 nan 8.240 nan 0.000 0.451 256 L N 2.405 123.593 121.223 -0.059 0.000 2.360 256 L HA 0.733 5.077 4.340 0.006 0.000 0.271 256 L C 1.066 177.863 176.870 -0.121 0.000 1.057 256 L CA -1.193 53.538 54.840 -0.182 0.000 0.803 256 L CB 1.271 43.227 42.059 -0.172 0.000 1.207 256 L HN 1.006 nan 8.230 nan 0.000 0.445 257 A N 3.242 125.958 122.820 -0.173 0.000 2.346 257 A HA 0.513 4.837 4.320 0.006 0.000 0.252 257 A C -2.334 175.190 177.584 -0.100 0.000 1.089 257 A CA -1.081 50.879 52.037 -0.127 0.000 0.797 257 A CB -0.498 18.406 19.000 -0.160 0.000 1.047 257 A HN 0.453 nan 8.150 nan 0.000 0.494 258 P HA 0.204 nan 4.420 nan 0.000 0.269 258 P C -0.429 176.839 177.300 -0.052 0.000 1.209 258 P CA -0.337 62.749 63.100 -0.023 0.000 0.776 258 P CB 0.285 31.984 31.700 -0.001 0.000 0.876 259 L N 5.667 126.886 121.223 -0.007 0.000 2.513 259 L HA 0.210 4.554 4.340 0.006 0.000 0.272 259 L C -2.087 174.789 176.870 0.011 0.000 1.187 259 L CA -1.249 53.593 54.840 0.004 0.000 0.895 259 L CB -0.749 41.373 42.059 0.106 0.000 1.147 259 L HN 0.314 nan 8.230 nan 0.000 0.483 260 P HA 0.183 nan 4.420 nan 0.000 0.269 260 P C -2.227 175.106 177.300 0.055 0.000 1.215 260 P CA -1.030 62.081 63.100 0.017 0.000 0.780 260 P CB -0.028 31.680 31.700 0.014 0.000 0.898 261 P HA 0.003 nan 4.420 nan 0.000 0.231 261 P C -0.104 177.204 177.300 0.013 0.000 1.168 261 P CA 0.834 63.946 63.100 0.019 0.000 0.779 261 P CB 0.337 32.048 31.700 0.019 0.000 0.844 262 E N 2.317 122.537 120.200 0.035 0.000 2.392 262 E HA 0.158 4.511 4.350 0.006 0.000 0.264 262 E C -1.954 174.650 176.600 0.007 0.000 1.024 262 E CA -1.792 54.622 56.400 0.024 0.000 0.903 262 E CB -0.577 29.146 29.700 0.038 0.000 0.963 262 E HN 0.291 nan 8.360 nan 0.000 0.432 263 P HA 0.073 nan 4.420 nan 0.000 0.272 263 P C -0.918 176.343 177.300 -0.066 0.000 1.223 263 P CA -0.215 62.848 63.100 -0.061 0.000 0.784 263 P CB 0.954 32.614 31.700 -0.067 0.000 0.923 264 V N 0.839 120.685 119.914 -0.113 0.000 2.971 264 V HA 0.475 4.598 4.120 0.006 0.000 0.309 264 V C -0.871 175.131 176.094 -0.153 0.000 1.130 264 V CA -0.569 61.629 62.300 -0.170 0.000 0.964 264 V CB 2.350 33.945 31.823 -0.380 0.000 1.029 264 V HN 0.719 nan 8.190 nan 0.000 0.427 265 S N 5.775 121.402 115.700 -0.122 0.000 2.475 265 S HA 0.848 5.321 4.470 0.006 0.000 0.298 265 S C -0.870 173.674 174.600 -0.092 0.000 1.119 265 S CA -0.485 57.663 58.200 -0.087 0.000 1.085 265 S CB 0.816 63.984 63.200 -0.052 0.000 1.028 265 S HN 0.652 nan 8.310 nan 0.000 0.489 269 E N 1.622 121.832 120.200 0.017 0.000 2.478 269 E HA -0.070 4.283 4.350 0.006 0.000 0.194 269 E C 0.684 177.289 176.600 0.007 0.000 1.045 269 E CA 0.559 56.966 56.400 0.010 0.000 0.868 269 E CB 0.133 29.839 29.700 0.010 0.000 0.885 269 E HN 0.679 nan 8.360 nan 0.000 0.505 270 Q N 0.963 120.768 119.800 0.008 0.000 2.281 270 Q HA 0.303 4.646 4.340 0.006 0.000 0.215 270 Q C 0.500 176.499 176.000 -0.002 0.000 0.867 270 Q CA 0.128 55.933 55.803 0.003 0.000 0.940 270 Q CB 0.526 29.267 28.738 0.004 0.000 1.111 270 Q HN 0.179 nan 8.270 nan 0.000 0.513 271 A N 0.816 123.634 122.820 -0.002 0.000 2.520 271 A HA 0.492 4.815 4.320 0.006 0.000 0.245 271 A C 1.109 178.690 177.584 -0.006 0.000 1.072 271 A CA 0.473 52.505 52.037 -0.008 0.000 0.761 271 A CB 0.305 19.300 19.000 -0.009 0.000 1.004 271 A HN 0.580 nan 8.150 nan 0.000 0.499 272 A N 2.040 124.856 122.820 -0.007 0.000 1.930 272 A HA 0.189 4.513 4.320 0.006 0.000 0.215 272 A C 1.116 178.698 177.584 -0.003 0.000 1.176 272 A CA 1.615 53.649 52.037 -0.004 0.000 0.632 272 A CB -0.160 18.838 19.000 -0.003 0.000 0.819 272 A HN 1.019 nan 8.150 nan 0.000 0.445 273 Q N -0.831 118.966 119.800 -0.004 0.000 2.693 273 Q HA 0.342 4.686 4.340 0.006 0.000 0.306 273 Q C -2.040 173.957 176.000 -0.004 0.000 0.969 273 Q CA -0.862 54.940 55.803 -0.002 0.000 0.757 273 Q CB -0.018 28.721 28.738 0.001 0.000 1.494 273 Q HN 0.102 nan 8.270 nan 0.000 0.459 274 D N 1.264 121.664 120.400 -0.000 0.000 2.382 274 D HA 0.394 5.037 4.640 0.006 0.000 0.240 274 D C -0.617 175.681 176.300 -0.002 0.000 1.146 274 D CA 0.513 54.511 54.000 -0.002 0.000 0.897 274 D CB 0.739 41.541 40.800 0.003 0.000 1.197 274 D HN 0.404 nan 8.370 nan 0.000 0.432 275 T N 1.780 116.326 114.554 -0.013 0.000 2.847 275 T HA 0.328 4.682 4.350 0.006 0.000 0.291 275 T C -0.460 174.240 174.700 -0.000 0.000 0.998 275 T CA -0.625 61.471 62.100 -0.006 0.000 0.967 275 T CB 0.815 69.650 68.868 -0.054 0.000 0.954 275 T HN 0.108 nan 8.240 nan 0.000 0.441 276 L N 3.872 125.110 121.223 0.026 0.000 2.265 276 L HA 0.597 4.941 4.340 0.006 0.000 0.288 276 L C -0.179 176.713 176.870 0.037 0.000 1.058 276 L CA 0.278 55.124 54.840 0.011 0.000 0.809 276 L CB 0.774 42.842 42.059 0.015 0.000 1.179 276 L HN 0.498 nan 8.230 nan 0.000 0.429 277 S N 5.837 121.533 115.700 -0.006 0.000 2.451 277 S HA 0.663 5.136 4.470 0.006 0.000 0.301 277 S C -0.146 174.381 174.600 -0.122 0.000 1.116 277 S CA -0.618 57.576 58.200 -0.009 0.000 1.093 277 S CB 0.997 64.194 63.200 -0.006 0.000 1.017 277 S HN 0.556 nan 8.310 nan 0.000 0.482 281 D N 1.605 122.181 120.400 0.293 0.000 2.863 281 D HA 0.647 5.291 4.640 0.006 0.000 0.245 281 D C -0.761 175.659 176.300 0.200 0.000 1.211 281 D CA 0.173 54.308 54.000 0.225 0.000 0.888 281 D CB 1.935 42.846 40.800 0.185 0.000 1.483 281 D HN 0.292 nan 8.370 nan 0.000 0.533 282 T N 0.523 115.190 114.554 0.188 0.000 2.883 282 T HA 0.659 5.012 4.350 0.006 0.000 0.301 282 T C -2.907 171.864 174.700 0.119 0.000 1.158 282 T CA -2.078 60.115 62.100 0.157 0.000 1.007 282 T CB 1.541 70.515 68.868 0.177 0.000 1.186 282 T HN 0.076 nan 8.240 nan 0.000 0.499 283 P HA 0.115 nan 4.420 nan 0.000 0.271 283 P C -0.751 176.440 177.300 -0.183 0.000 1.216 283 P CA -0.422 62.642 63.100 -0.059 0.000 0.776 283 P CB 0.443 32.068 31.700 -0.124 0.000 0.881 284 W N 5.047 126.160 121.300 -0.312 0.000 2.351 284 W HA 0.234 4.898 4.660 0.005 0.000 0.311 284 W C -1.167 175.090 176.519 -0.437 0.000 1.168 284 W CA -0.404 56.769 57.345 -0.286 0.000 1.200 284 W CB 0.598 29.985 29.460 -0.122 0.000 1.221 284 W HN 0.525 nan 8.180 nan 0.000 0.519 285 H N 5.849 124.423 119.070 -0.826 0.000 2.638 285 H HA 0.279 4.839 4.556 0.006 0.000 0.317 285 H C -2.048 172.551 175.328 -1.215 0.000 1.006 285 H CA -1.751 53.848 56.048 -0.748 0.000 1.222 285 H CB 1.105 30.603 29.762 -0.439 0.000 1.419 285 H HN 0.079 nan 8.280 nan 0.000 0.489 286 P HA -0.068 nan 4.420 nan 0.000 0.265 286 P C -0.141 176.955 177.300 -0.340 0.000 1.187 286 P CA 0.227 63.099 63.100 -0.379 0.000 0.766 286 P CB 0.749 32.419 31.700 -0.050 0.000 0.820 287 I N 3.383 123.794 120.570 -0.265 0.000 2.379 287 I HA 0.002 4.175 4.170 0.006 0.000 0.290 287 I C 1.516 177.536 176.117 -0.162 0.000 1.063 287 I CA 0.178 61.333 61.300 -0.243 0.000 1.351 287 I CB 0.644 38.497 38.000 -0.245 0.000 1.410 287 I HN 0.295 nan 8.210 nan 0.000 0.505 288 Q N 3.936 123.647 119.800 -0.149 0.000 2.391 288 Q HA 0.097 4.441 4.340 0.006 0.000 0.211 288 Q C -0.335 175.606 176.000 -0.099 0.000 0.908 288 Q CA 0.562 56.299 55.803 -0.109 0.000 0.920 288 Q CB 0.338 29.016 28.738 -0.100 0.000 1.056 288 Q HN 0.866 nan 8.270 nan 0.000 0.523 289 D N -2.716 117.615 120.400 -0.115 0.000 2.665 289 D HA 0.189 4.833 4.640 0.006 0.000 0.287 289 D C -0.537 175.689 176.300 -0.124 0.000 1.266 289 D CA -0.688 53.253 54.000 -0.099 0.000 0.830 289 D CB 0.523 41.276 40.800 -0.078 0.000 1.356 289 D HN -0.184 nan 8.370 nan 0.000 0.437 293 L N 1.345 122.411 121.223 -0.262 0.000 2.017 293 L HA -0.009 4.334 4.340 0.006 0.000 0.208 293 L C 2.214 178.771 176.870 -0.522 0.000 1.073 293 L CA 3.204 57.751 54.840 -0.487 0.000 0.745 293 L CB -0.656 41.013 42.059 -0.650 0.000 0.894 293 L HN 0.348 nan 8.230 nan 0.000 0.432 294 S N -0.429 115.101 115.700 -0.283 0.000 2.370 294 S HA -0.179 4.295 4.470 0.006 0.000 0.226 294 S C 1.970 176.571 174.600 0.001 0.000 1.033 294 S CA 1.406 59.566 58.200 -0.066 0.000 1.011 294 S CB -0.313 62.944 63.200 0.093 0.000 0.852 294 S HN 0.463 nan 8.310 nan 0.000 0.457 295 R N -0.376 120.120 120.500 -0.006 0.000 2.081 295 R HA -0.122 4.222 4.340 0.006 0.000 0.235 295 R C 2.263 178.589 176.300 0.043 0.000 1.131 295 R CA 1.621 57.741 56.100 0.035 0.000 0.960 295 R CB -0.552 29.756 30.300 0.013 0.000 0.856 295 R HN 0.519 nan 8.270 nan 0.000 0.436 296 Y N 0.401 120.645 120.300 -0.094 0.000 2.145 296 Y HA -0.252 4.301 4.550 0.005 0.000 0.286 296 Y C 1.855 177.785 175.900 0.050 0.000 1.145 296 Y CA 1.266 59.345 58.100 -0.036 0.000 1.148 296 Y CB -0.265 38.139 38.460 -0.093 0.000 0.981 296 Y HN 0.067 nan 8.280 nan 0.000 0.507 297 W N 0.909 121.981 121.300 -0.381 0.000 2.402 297 W HA -0.075 4.588 4.660 0.005 0.000 0.286 297 W C 2.716 178.981 176.519 -0.423 0.000 1.221 297 W CA 1.490 58.433 57.345 -0.670 0.000 1.257 297 W CB -0.967 27.755 29.460 -1.229 0.000 1.120 297 W HN 0.134 nan 8.180 nan 0.000 0.551 298 R N 0.019 120.565 120.500 0.076 0.000 2.075 298 R HA -0.121 4.222 4.340 0.006 0.000 0.232 298 R C 2.360 178.726 176.300 0.110 0.000 1.126 298 R CA 1.901 58.167 56.100 0.276 0.000 0.963 298 R CB -0.311 30.157 30.300 0.280 0.000 0.858 298 R HN -0.076 nan 8.270 nan 0.000 0.435 299 S N 0.474 116.184 115.700 0.017 0.000 2.355 299 S HA -0.173 4.300 4.470 0.006 0.000 0.222 299 S C 1.418 175.990 174.600 -0.046 0.000 1.031 299 S CA 1.633 59.829 58.200 -0.006 0.000 0.993 299 S CB -0.353 62.854 63.200 0.012 0.000 0.859 299 S HN 0.463 nan 8.310 nan 0.000 0.453 300 D N 1.003 121.291 120.400 -0.186 0.000 2.123 300 D HA -0.127 4.517 4.640 0.006 0.000 0.196 300 D C 1.879 178.166 176.300 -0.021 0.000 0.992 300 D CA 0.839 54.743 54.000 -0.161 0.000 0.833 300 D CB -0.255 40.302 40.800 -0.405 0.000 0.954 300 D HN 0.214 nan 8.370 nan 0.000 0.455 301 L N 0.199 121.426 121.223 0.006 0.000 2.093 301 L HA 0.129 4.473 4.340 0.006 0.000 0.208 301 L C 2.177 179.078 176.870 0.052 0.000 1.085 301 L CA 1.839 56.708 54.840 0.048 0.000 0.755 301 L CB -0.985 41.151 42.059 0.128 0.000 0.904 301 L HN 0.119 nan 8.230 nan 0.000 0.435 302 A N -0.278 122.578 122.820 0.059 0.000 1.883 302 A HA -0.234 4.090 4.320 0.006 0.000 0.217 302 A C 2.423 180.022 177.584 0.026 0.000 1.186 302 A CA 1.872 53.935 52.037 0.044 0.000 0.624 302 A CB -0.538 18.478 19.000 0.027 0.000 0.822 302 A HN 0.492 nan 8.150 nan 0.000 0.444 303 R N -0.796 119.725 120.500 0.035 0.000 2.081 303 R HA -0.149 4.194 4.340 0.006 0.000 0.235 303 R C 2.330 178.643 176.300 0.022 0.000 1.131 303 R CA 1.510 57.648 56.100 0.063 0.000 0.960 303 R CB -0.317 30.114 30.300 0.218 0.000 0.856 303 R HN 0.787 nan 8.270 nan 0.000 0.436 304 E N 0.591 120.845 120.200 0.091 0.000 2.106 304 E HA -0.168 4.186 4.350 0.006 0.000 0.192 304 E C 1.918 178.595 176.600 0.130 0.000 0.984 304 E CA 1.038 57.504 56.400 0.110 0.000 0.806 304 E CB 0.010 29.760 29.700 0.082 0.000 0.750 304 E HN 0.359 nan 8.360 nan 0.000 0.458 305 A N 1.369 124.250 122.820 0.102 0.000 1.902 305 A HA -0.167 4.156 4.320 0.006 0.000 0.217 305 A C 2.156 179.935 177.584 0.325 0.000 1.181 305 A CA 1.537 53.706 52.037 0.220 0.000 0.623 305 A CB -0.671 18.417 19.000 0.146 0.000 0.818 305 A HN 0.418 nan 8.150 nan 0.000 0.443 306 L N -1.971 119.329 121.223 0.128 0.000 2.056 306 L HA 0.005 4.349 4.340 0.006 0.000 0.207 306 L C 2.051 178.951 176.870 0.051 0.000 1.078 306 L CA 2.138 57.015 54.840 0.062 0.000 0.749 306 L CB -1.605 40.434 42.059 -0.033 0.000 0.901 306 L HN 0.265 nan 8.230 nan 0.000 0.433 307 F N -0.556 119.258 119.950 -0.227 0.000 2.146 307 F HA -0.110 4.418 4.527 0.002 0.000 0.298 307 F C 2.281 178.084 175.800 0.006 0.000 1.096 307 F CA 1.416 59.246 58.000 -0.283 0.000 1.275 307 F CB -0.748 37.874 39.000 -0.631 0.000 1.008 307 F HN 0.346 nan 8.300 nan 0.000 0.480 308 W N 0.633 121.869 121.300 -0.106 0.000 2.335 308 W HA -0.297 4.366 4.660 0.006 0.000 0.311 308 W C 2.689 179.133 176.519 -0.126 0.000 1.213 308 W CA 2.679 59.957 57.345 -0.111 0.000 1.274 308 W CB -1.077 28.381 29.460 -0.004 0.000 1.148 308 W HN 0.307 nan 8.180 nan 0.000 0.498 309 H N -0.382 118.519 119.070 -0.282 0.000 2.326 309 H HA -0.148 4.411 4.556 0.004 0.000 0.301 309 H C 2.152 177.250 175.328 -0.383 0.000 1.081 309 H CA 3.174 58.923 56.048 -0.498 0.000 1.334 309 H CB -0.488 29.154 29.762 -0.201 0.000 1.385 309 H HN 0.218 nan 8.280 nan 0.000 0.504 310 I N 0.413 120.843 120.570 -0.233 0.000 2.226 310 I HA -0.253 3.920 4.170 0.006 0.000 0.245 310 I C 2.396 178.339 176.117 -0.290 0.000 1.100 310 I CA 1.319 62.476 61.300 -0.238 0.000 1.374 310 I CB -0.279 37.639 38.000 -0.138 0.000 1.057 310 I HN 0.261 nan 8.210 nan 0.000 0.413 311 K N 0.579 120.694 120.400 -0.474 0.000 2.063 311 K HA -0.214 4.109 4.320 0.006 0.000 0.208 311 K C 2.170 178.579 176.600 -0.319 0.000 1.048 311 K CA 1.437 57.475 56.287 -0.414 0.000 0.928 311 K CB -0.206 31.993 32.500 -0.502 0.000 0.713 311 K HN 0.478 nan 8.250 nan 0.000 0.442 312 Q N 0.360 119.892 119.800 -0.448 0.000 2.084 312 Q HA -0.119 4.224 4.340 0.006 0.000 0.202 312 Q C 2.262 178.070 176.000 -0.320 0.000 0.978 312 Q CA 1.275 56.826 55.803 -0.420 0.000 0.844 312 Q CB -0.223 28.142 28.738 -0.621 0.000 0.898 312 Q HN 0.111 nan 8.270 nan 0.000 0.426 313 V N 1.414 121.115 119.914 -0.356 0.000 2.343 313 V HA -0.245 3.878 4.120 0.006 0.000 0.247 313 V C 2.243 178.329 176.094 -0.014 0.000 1.051 313 V CA 1.418 63.608 62.300 -0.183 0.000 1.036 313 V CB -0.561 31.160 31.823 -0.170 0.000 0.654 313 V HN 0.264 nan 8.190 nan 0.000 0.451 314 L N 0.348 121.591 121.223 0.032 0.000 2.046 314 L HA -0.172 4.172 4.340 0.006 0.000 0.208 314 L C 2.331 179.125 176.870 -0.125 0.000 1.077 314 L CA 1.961 56.759 54.840 -0.071 0.000 0.747 314 L CB -0.767 41.260 42.059 -0.053 0.000 0.896 314 L HN 0.365 nan 8.230 nan 0.000 0.432 315 E N -0.807 119.322 120.200 -0.118 0.000 2.153 315 E HA -0.270 4.084 4.350 0.006 0.000 0.194 315 E C 2.099 178.642 176.600 -0.096 0.000 0.988 315 E CA 1.343 57.681 56.400 -0.104 0.000 0.811 315 E CB -0.026 29.613 29.700 -0.102 0.000 0.746 315 E HN 0.405 nan 8.360 nan 0.000 0.466 316 K N 0.150 120.490 120.400 -0.101 0.000 2.243 316 K HA 0.035 4.359 4.320 0.006 0.000 0.201 316 K C -0.009 176.547 176.600 -0.073 0.000 1.051 316 K CA 0.574 56.812 56.287 -0.082 0.000 0.970 316 K CB 0.516 32.964 32.500 -0.087 0.000 0.755 316 K HN -0.048 nan 8.250 nan 0.000 0.465 317 N N 2.245 120.893 118.700 -0.086 0.000 2.804 317 N HA 0.108 4.851 4.740 0.006 0.000 0.251 317 N C -1.529 173.869 175.510 -0.186 0.000 1.250 317 N CA -0.358 52.635 53.050 -0.095 0.000 0.820 317 N CB 1.027 39.495 38.487 -0.033 0.000 1.156 317 N HN 0.096 nan 8.380 nan 0.000 0.512 318 N N 1.753 120.360 118.700 -0.154 0.000 2.412 318 N HA -0.023 4.721 4.740 0.006 0.000 0.258 318 N C 0.051 175.422 175.510 -0.233 0.000 1.236 318 N CA 0.532 53.475 53.050 -0.178 0.000 0.882 318 N CB 0.783 39.201 38.487 -0.114 0.000 1.066 318 N HN 0.338 nan 8.380 nan 0.000 0.465 319 Q N 1.519 121.140 119.800 -0.298 0.000 2.331 319 Q HA 0.251 4.594 4.340 0.006 0.000 0.267 319 Q C -0.277 175.623 176.000 -0.166 0.000 1.006 319 Q CA -0.757 54.868 55.803 -0.296 0.000 0.818 319 Q CB 1.686 30.122 28.738 -0.504 0.000 1.276 319 Q HN 0.186 nan 8.270 nan 0.000 0.450 320 K N 3.080 123.415 120.400 -0.109 0.000 2.402 320 K HA -0.012 4.312 4.320 0.006 0.000 0.279 320 K C 0.114 176.684 176.600 -0.050 0.000 1.082 320 K CA 0.302 56.549 56.287 -0.066 0.000 1.080 320 K CB -0.136 32.338 32.500 -0.044 0.000 0.899 320 K HN 0.564 nan 8.250 nan 0.000 0.469 321 N N 0.248 118.922 118.700 -0.043 0.000 2.741 321 N HA -0.238 4.505 4.740 0.006 0.000 0.251 321 N C -0.477 175.024 175.510 -0.016 0.000 1.112 321 N CA 0.454 53.490 53.050 -0.024 0.000 0.750 321 N CB -1.217 37.262 38.487 -0.014 0.000 1.119 321 N HN 0.352 nan 8.380 nan 0.000 0.561 322 L N 1.062 122.266 121.223 -0.033 0.000 2.276 322 L HA 0.368 4.711 4.340 0.006 0.000 0.286 322 L C 0.064 176.940 176.870 0.009 0.000 1.061 322 L CA -0.034 54.800 54.840 -0.009 0.000 0.807 322 L CB 0.685 42.718 42.059 -0.043 0.000 1.177 322 L HN -0.017 nan 8.230 nan 0.000 0.429 323 K N 6.038 126.467 120.400 0.049 0.000 2.324 323 K HA 0.624 4.948 4.320 0.006 0.000 0.253 323 K C -1.340 175.343 176.600 0.139 0.000 0.932 323 K CA -0.586 55.747 56.287 0.076 0.000 0.799 323 K CB 2.018 34.557 32.500 0.065 0.000 1.154 323 K HN 0.524 nan 8.250 nan 0.000 0.425 324 L N 1.506 122.845 121.223 0.193 0.000 2.334 324 L HA 0.658 5.001 4.340 0.006 0.000 0.276 324 L C 0.292 177.420 176.870 0.430 0.000 1.014 324 L CA -0.810 54.223 54.840 0.323 0.000 0.815 324 L CB 1.994 44.258 42.059 0.341 0.000 1.268 324 L HN 0.769 nan 8.230 nan 0.000 0.428 325 G N 1.354 110.419 108.800 0.441 0.000 2.563 325 G HA2 0.703 4.667 3.960 0.006 0.000 0.302 325 G HA3 0.703 4.667 3.960 0.006 0.000 0.302 325 G C -2.126 172.851 174.900 0.129 0.000 1.301 325 G CA -0.285 45.018 45.100 0.338 0.000 0.965 325 G HN 0.304 nan 8.290 nan 0.000 0.480 326 F N 1.327 121.009 119.950 -0.446 0.000 2.596 326 F HA 0.589 5.117 4.527 0.002 0.000 0.311 326 F C -1.571 174.010 175.800 -0.364 0.000 1.116 326 F CA -0.882 56.689 58.000 -0.715 0.000 0.957 326 F CB 2.450 40.362 39.000 -1.813 0.000 1.250 326 F HN 0.758 nan 8.300 nan 0.000 0.444 327 D N 2.802 122.604 120.400 -0.997 0.000 2.653 327 D HA 0.558 5.201 4.640 0.006 0.000 0.258 327 D C -1.758 174.148 176.300 -0.657 0.000 1.252 327 D CA -0.419 53.215 54.000 -0.611 0.000 0.777 327 D CB 1.592 42.261 40.800 -0.220 0.000 1.339 327 D HN 0.550 nan 8.370 nan 0.000 0.422 328 C N 0.162 119.249 119.300 -0.354 0.000 2.634 328 C HA 0.957 5.420 4.460 0.006 0.000 0.313 328 C C -0.857 174.071 174.990 -0.103 0.000 1.198 328 C CA -0.641 58.254 59.018 -0.206 0.000 1.605 328 C CB 1.188 28.860 27.740 -0.115 0.000 2.196 328 C HN 0.799 nan 8.230 nan 0.000 0.486 329 R N 1.018 121.480 120.500 -0.063 0.000 2.707 329 R HA 0.855 5.199 4.340 0.006 0.000 0.272 329 R C -2.362 173.874 176.300 -0.106 0.000 1.011 329 R CA -0.576 55.486 56.100 -0.063 0.000 0.893 329 R CB 1.222 31.527 30.300 0.008 0.000 1.233 329 R HN 0.373 nan 8.270 nan 0.000 0.464 330 V N 2.116 121.895 119.914 -0.225 0.000 2.378 330 V HA 0.451 4.574 4.120 0.006 0.000 0.288 330 V C -0.607 175.338 176.094 -0.247 0.000 1.016 330 V CA -0.468 61.616 62.300 -0.361 0.000 0.840 330 V CB 1.346 32.638 31.823 -0.885 0.000 0.994 330 V HN 0.739 nan 8.190 nan 0.000 0.431 331 Q N 3.078 122.813 119.800 -0.109 0.000 2.386 331 Q HA 0.446 4.789 4.340 0.006 0.000 0.274 331 Q C -1.192 174.824 176.000 0.027 0.000 1.011 331 Q CA -1.000 54.733 55.803 -0.117 0.000 0.867 331 Q CB 2.468 31.243 28.738 0.062 0.000 1.409 331 Q HN 0.722 nan 8.270 nan 0.000 0.395 332 Y N 0.885 121.251 120.300 0.111 0.000 3.491 332 Y HA -0.359 4.194 4.550 0.006 0.000 0.215 332 Y C 0.290 176.235 175.900 0.076 0.000 1.219 332 Y CA 1.289 59.450 58.100 0.102 0.000 1.485 332 Y CB -2.535 35.996 38.460 0.118 0.000 1.450 332 Y HN 0.840 nan 8.280 nan 0.000 0.603 333 Q N -2.942 116.937 119.800 0.132 0.000 2.460 333 Q HA -0.267 4.076 4.340 0.006 0.000 0.248 333 Q C -0.119 175.989 176.000 0.180 0.000 0.847 333 Q CA 1.419 57.322 55.803 0.166 0.000 1.214 333 Q CB -0.602 28.220 28.738 0.140 0.000 1.523 333 Q HN 0.559 nan 8.270 nan 0.000 0.602 334 R N -0.077 120.522 120.500 0.165 0.000 2.711 334 R HA 0.786 5.130 4.340 0.006 0.000 0.284 334 R C -0.406 175.978 176.300 0.140 0.000 0.968 334 R CA -0.172 56.027 56.100 0.165 0.000 0.924 334 R CB 1.547 31.947 30.300 0.167 0.000 1.162 334 R HN 0.137 nan 8.270 nan 0.000 0.465 335 A N 2.061 124.990 122.820 0.182 0.000 2.274 335 A HA 0.324 4.647 4.320 0.006 0.000 0.309 335 A C -0.392 177.289 177.584 0.162 0.000 1.226 335 A CA -0.477 51.651 52.037 0.152 0.000 0.853 335 A CB 0.842 20.016 19.000 0.289 0.000 1.146 335 A HN 0.665 nan 8.150 nan 0.000 0.518 336 Q N 1.688 121.563 119.800 0.125 0.000 2.330 336 Q HA 0.513 4.856 4.340 0.006 0.000 0.269 336 Q C -1.612 174.439 176.000 0.085 0.000 1.022 336 Q CA -0.488 55.406 55.803 0.153 0.000 0.796 336 Q CB 1.753 30.602 28.738 0.185 0.000 1.271 336 Q HN 0.816 nan 8.270 nan 0.000 0.450 337 C N 3.441 122.820 119.300 0.132 0.000 2.369 337 C HA 0.964 5.427 4.460 0.006 0.000 0.322 337 C C -0.821 174.224 174.990 0.093 0.000 1.258 337 C CA -0.074 58.964 59.018 0.033 0.000 1.487 337 C CB 0.337 28.157 27.740 0.133 0.000 2.165 337 C HN 0.868 nan 8.230 nan 0.000 0.483 338 A N 6.160 128.845 122.820 -0.225 0.000 2.449 338 A HA 0.838 5.162 4.320 0.006 0.000 0.302 338 A C -1.110 176.300 177.584 -0.291 0.000 1.048 338 A CA -0.494 51.404 52.037 -0.232 0.000 0.708 338 A CB 0.897 19.606 19.000 -0.485 0.000 1.274 338 A HN 0.825 nan 8.150 nan 0.000 0.410 339 I N 3.326 123.922 120.570 0.044 0.000 2.339 339 I HA 0.325 4.499 4.170 0.006 0.000 0.290 339 I C -0.603 175.495 176.117 -0.031 0.000 0.994 339 I CA -0.510 60.906 61.300 0.194 0.000 1.191 339 I CB 1.148 39.402 38.000 0.422 0.000 1.343 339 I HN 0.573 nan 8.210 nan 0.000 0.458 340 H N 6.857 126.031 119.070 0.173 0.000 2.476 340 H HA 0.439 4.995 4.556 0.000 0.000 0.328 340 H C -0.900 174.512 175.328 0.139 0.000 1.073 340 H CA -0.827 55.275 56.048 0.091 0.000 1.229 340 H CB 2.014 31.793 29.762 0.029 0.000 1.432 340 H HN 0.279 nan 8.280 nan 0.000 0.477 341 L N 3.537 124.896 121.223 0.227 0.000 2.295 341 L HA 0.171 4.515 4.340 0.006 0.000 0.281 341 L C 0.525 177.466 176.870 0.120 0.000 1.018 341 L CA -0.289 54.658 54.840 0.178 0.000 0.841 341 L CB 0.534 42.687 42.059 0.156 0.000 1.218 341 L HN 0.529 nan 8.230 nan 0.000 0.424 342 N N 1.686 120.449 118.700 0.105 0.000 2.414 342 N HA 0.557 5.301 4.740 0.006 0.000 0.256 342 N C -0.735 174.803 175.510 0.047 0.000 1.029 342 N CA 0.047 53.132 53.050 0.057 0.000 0.948 342 N CB 0.829 39.341 38.487 0.043 0.000 1.102 342 N HN 0.564 nan 8.380 nan 0.000 0.496 343 T N 3.102 117.676 114.554 0.033 0.000 3.012 343 T HA 0.447 4.801 4.350 0.006 0.000 0.330 343 T C -3.001 171.709 174.700 0.016 0.000 1.321 343 T CA -1.581 60.535 62.100 0.027 0.000 1.067 343 T CB 1.093 69.983 68.868 0.038 0.000 1.235 343 T HN 0.215 nan 8.240 nan 0.000 0.479 344 P HA 0.085 nan 4.420 nan 0.000 0.267 344 P C 1.094 178.400 177.300 0.010 0.000 1.200 344 P CA -0.244 62.860 63.100 0.007 0.000 0.772 344 P CB 0.525 32.227 31.700 0.004 0.000 0.855 345 V N 3.070 122.989 119.914 0.008 0.000 2.453 345 V HA -0.257 3.867 4.120 0.006 0.000 0.252 345 V C 1.991 178.091 176.094 0.011 0.000 1.068 345 V CA 2.326 64.631 62.300 0.009 0.000 1.070 345 V CB -1.031 30.795 31.823 0.005 0.000 0.664 345 V HN 0.687 nan 8.190 nan 0.000 0.461 346 E N -0.122 120.083 120.200 0.008 0.000 2.268 346 E HA -0.235 4.118 4.350 0.006 0.000 0.195 346 E C 1.238 177.844 176.600 0.011 0.000 0.995 346 E CA 1.917 58.322 56.400 0.008 0.000 0.836 346 E CB -0.637 29.066 29.700 0.004 0.000 0.763 346 E HN 0.828 nan 8.360 nan 0.000 0.491 347 N N 0.107 118.814 118.700 0.012 0.000 2.205 347 N HA 0.088 4.832 4.740 0.006 0.000 0.201 347 N C 1.310 176.837 175.510 0.029 0.000 1.128 347 N CA -0.213 52.846 53.050 0.015 0.000 0.867 347 N CB 0.414 38.905 38.487 0.007 0.000 0.996 347 N HN -0.043 nan 8.380 nan 0.000 0.503 348 L N 0.955 122.196 121.223 0.030 0.000 1.970 348 L HA -0.147 4.197 4.340 0.006 0.000 0.212 348 L C 1.859 178.763 176.870 0.056 0.000 1.071 348 L CA 2.014 56.878 54.840 0.041 0.000 0.751 348 L CB -1.032 41.045 42.059 0.030 0.000 0.889 348 L HN 0.097 nan 8.230 nan 0.000 0.432 349 T N -0.023 114.561 114.554 0.050 0.000 2.746 349 T HA -0.156 4.197 4.350 0.006 0.000 0.267 349 T C 1.896 176.640 174.700 0.074 0.000 1.039 349 T CA 1.389 63.526 62.100 0.060 0.000 1.142 349 T CB -0.635 68.262 68.868 0.048 0.000 0.866 349 T HN 0.538 nan 8.240 nan 0.000 0.444 350 A N 2.133 124.991 122.820 0.064 0.000 1.902 350 A HA -0.058 4.266 4.320 0.006 0.000 0.217 350 A C 1.537 179.190 177.584 0.116 0.000 1.181 350 A CA 0.911 52.992 52.037 0.074 0.000 0.623 350 A CB -0.455 18.571 19.000 0.044 0.000 0.818 350 A HN 0.375 nan 8.150 nan 0.000 0.443 354 F N 3.484 123.460 119.950 0.044 0.000 2.069 354 F HA -0.104 4.421 4.527 -0.003 0.000 0.298 354 F C 2.025 177.854 175.800 0.049 0.000 1.113 354 F CA 1.731 59.751 58.000 0.033 0.000 1.214 354 F CB -0.644 38.370 39.000 0.023 0.000 0.978 354 F HN 0.029 nan 8.300 nan 0.000 0.474 355 V N 0.701 120.568 119.914 -0.078 0.000 2.358 355 V HA -0.247 3.876 4.120 0.006 0.000 0.246 355 V C 2.796 178.844 176.094 -0.077 0.000 1.047 355 V CA 1.751 63.959 62.300 -0.154 0.000 1.035 355 V CB -1.626 30.266 31.823 0.116 0.000 0.658 355 V HN 0.520 nan 8.190 nan 0.000 0.452 356 A N -0.084 122.752 122.820 0.027 0.000 1.972 356 A HA -0.208 4.115 4.320 0.006 0.000 0.219 356 A C 2.373 179.903 177.584 -0.090 0.000 1.169 356 A CA 1.637 53.674 52.037 0.001 0.000 0.635 356 A CB -0.462 18.507 19.000 -0.051 0.000 0.810 356 A HN 0.514 nan 8.150 nan 0.000 0.446 357 R N -0.567 119.869 120.500 -0.107 0.000 2.092 357 R HA -0.078 4.266 4.340 0.006 0.000 0.231 357 R C 1.942 178.165 176.300 -0.128 0.000 1.119 357 R CA 1.186 57.221 56.100 -0.109 0.000 0.970 357 R CB -0.201 30.048 30.300 -0.086 0.000 0.864 357 R HN 0.477 nan 8.270 nan 0.000 0.440 358 E N 1.024 121.101 120.200 -0.204 0.000 2.051 358 E HA -0.148 4.205 4.350 0.006 0.000 0.192 358 E C 2.158 178.714 176.600 -0.073 0.000 0.991 358 E CA 1.022 57.328 56.400 -0.157 0.000 0.799 358 E CB -0.196 29.361 29.700 -0.238 0.000 0.748 358 E HN 0.334 nan 8.360 nan 0.000 0.449 359 L N 0.506 121.705 121.223 -0.040 0.000 2.083 359 L HA -0.162 4.181 4.340 0.006 0.000 0.209 359 L C 2.564 179.429 176.870 -0.008 0.000 1.083 359 L CA 1.174 56.025 54.840 0.018 0.000 0.752 359 L CB -0.623 41.507 42.059 0.118 0.000 0.899 359 L HN 0.055 nan 8.230 nan 0.000 0.433 360 A N 0.172 122.967 122.820 -0.041 0.000 1.902 360 A HA -0.154 4.169 4.320 0.006 0.000 0.217 360 A C 2.551 180.109 177.584 -0.044 0.000 1.181 360 A CA 1.785 53.793 52.037 -0.048 0.000 0.623 360 A CB -0.680 18.277 19.000 -0.072 0.000 0.818 360 A HN 0.396 nan 8.150 nan 0.000 0.443 361 A N -0.421 122.367 122.820 -0.053 0.000 1.898 361 A HA 0.016 4.339 4.320 0.006 0.000 0.216 361 A C 2.166 179.707 177.584 -0.072 0.000 1.181 361 A CA 1.437 53.441 52.037 -0.055 0.000 0.620 361 A CB -0.571 18.398 19.000 -0.051 0.000 0.819 361 A HN 0.456 nan 8.150 nan 0.000 0.442 362 L N -1.159 120.012 121.223 -0.088 0.000 2.093 362 L HA -0.134 4.210 4.340 0.006 0.000 0.208 362 L C 2.750 179.582 176.870 -0.063 0.000 1.085 362 L CA 1.497 56.272 54.840 -0.108 0.000 0.755 362 L CB -0.426 41.559 42.059 -0.123 0.000 0.904 362 L HN 0.430 nan 8.230 nan 0.000 0.435 363 R N 0.230 120.708 120.500 -0.036 0.000 2.083 363 R HA -0.209 4.134 4.340 0.006 0.000 0.237 363 R C 2.259 178.545 176.300 -0.023 0.000 1.137 363 R CA 1.699 57.788 56.100 -0.017 0.000 0.951 363 R CB -0.209 30.095 30.300 0.005 0.000 0.851 363 R HN 0.367 nan 8.270 nan 0.000 0.434 364 A N -0.004 122.799 122.820 -0.029 0.000 1.898 364 A HA -0.068 4.256 4.320 0.006 0.000 0.214 364 A C 1.354 178.919 177.584 -0.033 0.000 1.183 364 A CA 1.608 53.629 52.037 -0.027 0.000 0.622 364 A CB -0.140 18.845 19.000 -0.027 0.000 0.824 364 A HN 0.562 nan 8.150 nan 0.000 0.444 365 N N -2.532 116.142 118.700 -0.044 0.000 2.211 365 N HA 0.376 5.119 4.740 0.006 0.000 0.216 365 N C 0.822 176.296 175.510 -0.060 0.000 1.240 365 N CA 0.306 53.328 53.050 -0.048 0.000 0.895 365 N CB 1.109 39.569 38.487 -0.044 0.000 1.102 365 N HN 0.620 nan 8.380 nan 0.000 0.498 366 G N 1.517 110.272 108.800 -0.075 0.000 2.601 366 G HA2 -0.293 3.671 3.960 0.006 0.000 0.252 366 G HA3 -0.293 3.671 3.960 0.006 0.000 0.252 366 G C -0.429 174.410 174.900 -0.103 0.000 1.294 366 G CA -0.534 44.516 45.100 -0.082 0.000 0.912 366 G HN 0.070 nan 8.290 nan 0.000 0.574 367 L N 1.040 122.232 121.223 -0.052 0.000 2.436 367 L HA 0.458 4.802 4.340 0.006 0.000 0.265 367 L C 1.668 178.550 176.870 0.019 0.000 1.168 367 L CA 0.072 54.916 54.840 0.006 0.000 0.815 367 L CB 1.173 43.320 42.059 0.148 0.000 1.109 367 L HN 1.012 nan 8.230 nan 0.000 0.462 368 S N 0.820 116.554 115.700 0.056 0.000 2.600 368 S HA 0.019 4.492 4.470 0.006 0.000 0.265 368 S C 0.592 175.251 174.600 0.099 0.000 1.325 368 S CA -0.477 57.758 58.200 0.058 0.000 1.002 368 S CB 1.425 64.665 63.200 0.067 0.000 0.921 368 S HN 0.640 nan 8.310 nan 0.000 0.554 369 Q N 1.340 121.179 119.800 0.066 0.000 2.124 369 Q HA -0.022 4.321 4.340 0.006 0.000 0.202 369 Q C 2.154 178.252 176.000 0.164 0.000 0.977 369 Q CA 2.194 58.054 55.803 0.096 0.000 0.850 369 Q CB -1.045 27.720 28.738 0.046 0.000 0.901 369 Q HN 0.931 nan 8.270 nan 0.000 0.429 370 A N 0.173 123.069 122.820 0.126 0.000 1.930 370 A HA -0.199 4.125 4.320 0.006 0.000 0.217 370 A C 1.908 179.601 177.584 0.182 0.000 1.175 370 A CA 1.597 53.711 52.037 0.127 0.000 0.627 370 A CB -0.528 18.527 19.000 0.092 0.000 0.815 370 A HN 0.549 nan 8.150 nan 0.000 0.443 371 E N -1.344 118.994 120.200 0.230 0.000 2.051 371 E HA -0.163 4.190 4.350 0.006 0.000 0.192 371 E C 1.752 178.579 176.600 0.377 0.000 0.991 371 E CA 1.256 57.883 56.400 0.378 0.000 0.799 371 E CB -0.291 29.633 29.700 0.374 0.000 0.748 371 E HN 0.676 nan 8.360 nan 0.000 0.449 372 F N 2.447 122.473 119.950 0.128 0.000 2.095 372 F HA -0.247 4.283 4.527 0.005 0.000 0.298 372 F C 1.682 177.469 175.800 -0.021 0.000 1.104 372 F CA 1.798 59.812 58.000 0.023 0.000 1.232 372 F CB -0.068 38.932 39.000 0.001 0.000 0.987 372 F HN -0.088 nan 8.300 nan 0.000 0.475 373 D N 0.465 120.925 120.400 0.100 0.000 2.144 373 D HA -0.161 4.482 4.640 0.006 0.000 0.199 373 D C 2.389 178.632 176.300 -0.096 0.000 0.984 373 D CA 1.427 55.408 54.000 -0.030 0.000 0.834 373 D CB -0.785 40.057 40.800 0.071 0.000 0.955 373 D HN 0.398 nan 8.370 nan 0.000 0.465 374 A N 0.704 123.522 122.820 -0.004 0.000 1.883 374 A HA -0.104 4.220 4.320 0.006 0.000 0.217 374 A C 1.360 178.843 177.584 -0.168 0.000 1.186 374 A CA 0.528 52.571 52.037 0.011 0.000 0.624 374 A CB -0.732 18.400 19.000 0.219 0.000 0.822 374 A HN 0.252 nan 8.150 nan 0.000 0.444 378 Q N 1.269 120.969 119.800 -0.167 0.000 2.079 378 Q HA -0.097 4.246 4.340 0.006 0.000 0.200 378 Q C 1.714 177.621 176.000 -0.155 0.000 0.974 378 Q CA 1.317 57.030 55.803 -0.151 0.000 0.840 378 Q CB 0.105 28.723 28.738 -0.200 0.000 0.898 378 Q HN 0.128 nan 8.270 nan 0.000 0.430 379 K N 0.673 120.949 120.400 -0.205 0.000 2.155 379 K HA -0.027 4.296 4.320 0.006 0.000 0.203 379 K C 1.704 178.223 176.600 -0.135 0.000 1.052 379 K CA 0.727 56.909 56.287 -0.175 0.000 0.948 379 K CB -0.352 32.021 32.500 -0.211 0.000 0.728 379 K HN 0.307 nan 8.250 nan 0.000 0.448 380 N N 1.555 120.173 118.700 -0.137 0.000 2.188 380 N HA -0.161 4.582 4.740 0.006 0.000 0.184 380 N C 1.484 176.956 175.510 -0.065 0.000 1.018 380 N CA 1.184 54.174 53.050 -0.099 0.000 0.858 380 N CB -0.193 38.234 38.487 -0.100 0.000 0.989 380 N HN 0.265 nan 8.380 nan 0.000 0.426 381 D N 0.964 121.326 120.400 -0.064 0.000 2.097 381 D HA -0.135 4.508 4.640 0.006 0.000 0.195 381 D C 1.875 178.158 176.300 -0.028 0.000 0.989 381 D CA 1.323 55.300 54.000 -0.038 0.000 0.827 381 D CB 0.077 40.855 40.800 -0.036 0.000 0.966 381 D HN 0.268 nan 8.370 nan 0.000 0.456 382 Q N -0.636 119.139 119.800 -0.041 0.000 2.096 382 Q HA -0.149 4.195 4.340 0.006 0.000 0.204 382 Q C 2.192 178.178 176.000 -0.023 0.000 0.982 382 Q CA 0.990 56.775 55.803 -0.030 0.000 0.850 382 Q CB -0.206 28.508 28.738 -0.041 0.000 0.901 382 Q HN 0.311 nan 8.270 nan 0.000 0.422 383 L N 0.861 122.067 121.223 -0.029 0.000 2.093 383 L HA -0.150 4.194 4.340 0.006 0.000 0.208 383 L C 2.298 179.171 176.870 0.005 0.000 1.085 383 L CA 2.114 56.949 54.840 -0.008 0.000 0.755 383 L CB -0.624 41.419 42.059 -0.028 0.000 0.904 383 L HN 0.234 nan 8.230 nan 0.000 0.435 384 S N -1.596 114.108 115.700 0.008 0.000 2.447 384 S HA -0.118 4.355 4.470 0.006 0.000 0.233 384 S C 1.733 176.363 174.600 0.051 0.000 1.006 384 S CA 0.651 58.872 58.200 0.035 0.000 0.957 384 S CB -0.455 62.759 63.200 0.023 0.000 0.773 384 S HN 0.410 nan 8.310 nan 0.000 0.507 385 K N 1.083 121.500 120.400 0.027 0.000 2.404 385 K HA 0.323 4.646 4.320 0.006 0.000 0.194 385 K C 1.710 178.320 176.600 0.017 0.000 1.023 385 K CA 0.017 56.324 56.287 0.034 0.000 1.094 385 K CB -0.592 31.920 32.500 0.020 0.000 0.841 385 K HN 0.452 nan 8.250 nan 0.000 0.523 386 L N 0.235 121.432 121.223 -0.044 0.000 2.010 386 L HA -0.258 4.086 4.340 0.006 0.000 0.219 386 L C 1.733 178.478 176.870 -0.207 0.000 1.077 386 L CA 1.907 56.629 54.840 -0.198 0.000 0.773 386 L CB -0.225 41.604 42.059 -0.385 0.000 0.892 386 L HN 0.006 nan 8.230 nan 0.000 0.436 387 F N -0.528 119.459 119.950 0.062 0.000 2.367 387 F HA 0.035 4.566 4.527 0.007 0.000 0.298 387 F C 2.413 178.282 175.800 0.115 0.000 1.094 387 F CA 0.739 58.793 58.000 0.091 0.000 1.409 387 F CB -0.822 38.212 39.000 0.056 0.000 1.064 387 F HN 0.159 nan 8.300 nan 0.000 0.528 388 A N -0.243 122.707 122.820 0.218 0.000 1.873 388 A HA -0.154 4.170 4.320 0.006 0.000 0.215 388 A C 2.280 179.926 177.584 0.104 0.000 1.186 388 A CA 2.251 54.371 52.037 0.139 0.000 0.616 388 A CB -1.277 17.780 19.000 0.094 0.000 0.823 388 A HN 0.296 nan 8.150 nan 0.000 0.442 389 T N -1.409 113.193 114.554 0.080 0.000 2.684 389 T HA -0.206 4.147 4.350 0.006 0.000 0.267 389 T C 1.793 176.533 174.700 0.067 0.000 1.036 389 T CA 1.817 63.947 62.100 0.051 0.000 1.148 389 T CB -0.479 68.403 68.868 0.023 0.000 0.863 389 T HN 0.544 nan 8.240 nan 0.000 0.436 390 Y N 2.046 122.343 120.300 -0.006 0.000 2.128 390 Y HA -0.118 4.435 4.550 0.006 0.000 0.284 390 Y C 2.531 178.456 175.900 0.041 0.000 1.154 390 Y CA 1.054 59.161 58.100 0.012 0.000 1.149 390 Y CB -0.759 37.718 38.460 0.030 0.000 0.976 390 Y HN 0.189 nan 8.280 nan 0.000 0.505 391 A N 0.265 123.134 122.820 0.080 0.000 2.024 391 A HA -0.180 4.143 4.320 0.006 0.000 0.220 391 A C 2.126 179.664 177.584 -0.077 0.000 1.164 391 A CA 1.748 53.780 52.037 -0.008 0.000 0.643 391 A CB -0.521 18.529 19.000 0.083 0.000 0.806 391 A HN 0.561 nan 8.150 nan 0.000 0.451 392 R N -0.555 119.913 120.500 -0.054 0.000 2.317 392 R HA 0.089 4.432 4.340 0.006 0.000 0.208 392 R C -0.397 175.858 176.300 -0.075 0.000 0.914 392 R CA 0.206 56.278 56.100 -0.046 0.000 1.060 392 R CB 0.118 30.410 30.300 -0.012 0.000 1.015 392 R HN 0.273 nan 8.270 nan 0.000 0.498 393 T N 1.318 115.787 114.554 -0.141 0.000 2.729 393 T HA 0.015 4.369 4.350 0.006 0.000 0.296 393 T C -0.248 174.371 174.700 -0.135 0.000 0.928 393 T CA -0.474 61.545 62.100 -0.136 0.000 1.045 393 T CB 1.113 69.880 68.868 -0.168 0.000 0.902 393 T HN 0.043 nan 8.240 nan 0.000 0.500 394 D N 2.604 122.959 120.400 -0.075 0.000 2.472 394 D HA -0.054 4.589 4.640 0.006 0.000 0.237 394 D C 1.686 177.956 176.300 -0.050 0.000 1.141 394 D CA 0.262 54.230 54.000 -0.054 0.000 0.875 394 D CB 1.143 41.926 40.800 -0.028 0.000 1.192 394 D HN 0.627 nan 8.370 nan 0.000 0.450 395 T N 0.862 115.391 114.554 -0.042 0.000 2.737 395 T HA -0.324 4.030 4.350 0.006 0.000 0.269 395 T C 1.329 176.037 174.700 0.013 0.000 1.040 395 T CA 1.912 64.001 62.100 -0.019 0.000 1.142 395 T CB -0.381 68.480 68.868 -0.012 0.000 0.861 395 T HN 0.626 nan 8.240 nan 0.000 0.456 396 D N 1.179 121.586 120.400 0.010 0.000 2.219 396 D HA -0.048 4.596 4.640 0.006 0.000 0.205 396 D C 1.974 178.284 176.300 0.016 0.000 0.970 396 D CA 0.640 54.652 54.000 0.021 0.000 0.851 396 D CB -0.593 40.218 40.800 0.018 0.000 0.943 396 D HN 0.535 nan 8.370 nan 0.000 0.488 397 I N 0.289 120.863 120.570 0.006 0.000 2.286 397 I HA -0.070 4.103 4.170 0.006 0.000 0.245 397 I C 1.464 177.596 176.117 0.026 0.000 1.104 397 I CA 0.189 61.492 61.300 0.005 0.000 1.397 397 I CB -0.294 37.703 38.000 -0.006 0.000 1.072 397 I HN 0.067 nan 8.210 nan 0.000 0.417 401 Q N 1.156 120.923 119.800 -0.055 0.000 2.084 401 Q HA -0.002 4.341 4.340 0.006 0.000 0.202 401 Q C 2.176 178.107 176.000 -0.115 0.000 0.978 401 Q CA 1.810 57.579 55.803 -0.057 0.000 0.844 401 Q CB -0.196 28.549 28.738 0.012 0.000 0.898 401 Q HN 0.509 nan 8.270 nan 0.000 0.426 402 R N 1.041 121.469 120.500 -0.119 0.000 2.073 402 R HA -0.088 4.256 4.340 0.006 0.000 0.234 402 R C 2.006 178.052 176.300 -0.422 0.000 1.134 402 R CA 1.316 57.230 56.100 -0.311 0.000 0.952 402 R CB -0.536 29.490 30.300 -0.456 0.000 0.850 402 R HN 0.225 nan 8.270 nan 0.000 0.433 403 L N -0.089 120.863 121.223 -0.451 0.000 2.083 403 L HA -0.120 4.223 4.340 0.006 0.000 0.209 403 L C 2.723 179.351 176.870 -0.403 0.000 1.083 403 L CA 1.721 56.244 54.840 -0.528 0.000 0.752 403 L CB -0.494 41.260 42.059 -0.508 0.000 0.899 403 L HN 0.285 nan 8.230 nan 0.000 0.433 404 R N -0.272 120.038 120.500 -0.316 0.000 2.081 404 R HA -0.177 4.167 4.340 0.006 0.000 0.235 404 R C 2.608 178.753 176.300 -0.259 0.000 1.131 404 R CA 1.662 57.594 56.100 -0.281 0.000 0.960 404 R CB -0.181 29.990 30.300 -0.215 0.000 0.856 404 R HN 0.158 nan 8.270 nan 0.000 0.436 405 S N -0.111 115.450 115.700 -0.232 0.000 2.370 405 S HA -0.161 4.312 4.470 0.006 0.000 0.226 405 S C 1.893 176.372 174.600 -0.202 0.000 1.033 405 S CA 1.217 59.298 58.200 -0.198 0.000 1.011 405 S CB -0.051 63.038 63.200 -0.184 0.000 0.852 405 S HN 0.406 nan 8.310 nan 0.000 0.457 406 Q N 0.302 119.953 119.800 -0.248 0.000 2.083 406 Q HA -0.018 4.325 4.340 0.006 0.000 0.198 406 Q C 2.388 178.265 176.000 -0.206 0.000 0.969 406 Q CA 1.173 56.850 55.803 -0.211 0.000 0.838 406 Q CB -0.364 28.242 28.738 -0.219 0.000 0.900 406 Q HN 0.699 nan 8.270 nan 0.000 0.436 407 Q N -0.344 119.289 119.800 -0.279 0.000 2.187 407 Q HA 0.020 4.364 4.340 0.006 0.000 0.199 407 Q C 1.615 177.466 176.000 -0.247 0.000 0.957 407 Q CA 0.969 56.590 55.803 -0.303 0.000 0.857 407 Q CB 0.336 28.798 28.738 -0.460 0.000 0.929 407 Q HN 0.133 nan 8.270 nan 0.000 0.453 408 S N -0.887 114.663 115.700 -0.250 0.000 2.540 408 S HA 0.184 4.657 4.470 0.006 0.000 0.218 408 S C 0.722 175.219 174.600 -0.171 0.000 0.977 408 S CA 0.423 58.469 58.200 -0.256 0.000 0.918 408 S CB 1.020 64.015 63.200 -0.342 0.000 0.806 408 S HN 0.567 nan 8.310 nan 0.000 0.496 409 G N 1.833 110.579 108.800 -0.091 0.000 2.333 409 G HA2 -0.213 3.751 3.960 0.006 0.000 0.296 409 G HA3 -0.213 3.751 3.960 0.006 0.000 0.296 409 G C -0.280 174.697 174.900 0.128 0.000 1.059 409 G CA 0.012 45.134 45.100 0.038 0.000 1.050 409 G HN 0.414 nan 8.290 nan 0.000 0.508 410 V N 0.875 120.775 119.914 -0.024 0.000 2.326 410 V HA 0.482 4.606 4.120 0.006 0.000 0.281 410 V C 0.946 177.013 176.094 -0.045 0.000 1.015 410 V CA -0.727 61.560 62.300 -0.021 0.000 0.823 410 V CB 1.588 33.302 31.823 -0.182 0.000 1.009 410 V HN 0.542 nan 8.190 nan 0.000 0.436 411 V N 4.185 124.082 119.914 -0.027 0.000 2.788 411 V HA 0.116 4.240 4.120 0.006 0.000 0.307 411 V C 0.076 176.159 176.094 -0.018 0.000 1.069 411 V CA 0.529 62.806 62.300 -0.039 0.000 1.173 411 V CB 1.427 33.218 31.823 -0.052 0.000 0.925 411 V HN 0.983 nan 8.190 nan 0.000 0.492 412 D N 5.938 126.324 120.400 -0.024 0.000 2.414 412 D HA 0.393 5.037 4.640 0.006 0.000 0.232 412 D C -0.250 176.076 176.300 0.044 0.000 1.070 412 D CA -0.346 53.659 54.000 0.007 0.000 0.839 412 D CB 0.956 41.730 40.800 -0.043 0.000 1.079 412 D HN 0.591 nan 8.370 nan 0.000 0.521 413 I N -0.284 120.339 120.570 0.089 0.000 2.750 413 I HA 0.791 4.964 4.170 0.006 0.000 0.308 413 I C 0.266 176.454 176.117 0.120 0.000 1.016 413 I CA -1.366 59.997 61.300 0.105 0.000 1.098 413 I CB 1.760 39.836 38.000 0.127 0.000 1.279 413 I HN 0.290 nan 8.210 nan 0.000 0.454 414 A N 4.695 127.581 122.820 0.111 0.000 2.565 414 A HA 0.251 4.574 4.320 0.006 0.000 0.237 414 A C -1.509 176.153 177.584 0.131 0.000 1.053 414 A CA -0.730 51.371 52.037 0.107 0.000 0.755 414 A CB -0.652 18.406 19.000 0.096 0.000 0.980 414 A HN 0.773 nan 8.150 nan 0.000 0.506 415 P HA -0.121 nan 4.420 nan 0.000 0.219 415 P C 0.856 178.284 177.300 0.213 0.000 1.150 415 P CA 1.279 64.421 63.100 0.070 0.000 0.814 415 P CB 0.180 31.851 31.700 -0.047 0.000 0.787 416 E N 0.033 120.384 120.200 0.252 0.000 2.106 416 E HA -0.194 4.160 4.350 0.006 0.000 0.192 416 E C 2.327 179.046 176.600 0.198 0.000 0.984 416 E CA 0.745 57.298 56.400 0.254 0.000 0.806 416 E CB -0.282 29.523 29.700 0.175 0.000 0.750 416 E HN 0.333 nan 8.360 nan 0.000 0.458 417 Q N -0.038 119.867 119.800 0.175 0.000 2.119 417 Q HA -0.204 4.140 4.340 0.006 0.000 0.201 417 Q C 1.940 178.059 176.000 0.199 0.000 0.972 417 Q CA 1.122 57.018 55.803 0.154 0.000 0.847 417 Q CB -0.101 28.711 28.738 0.124 0.000 0.903 417 Q HN 0.373 nan 8.270 nan 0.000 0.433 418 Y N 1.137 121.511 120.300 0.123 0.000 2.128 418 Y HA -0.333 4.220 4.550 0.005 0.000 0.284 418 Y C 2.440 178.420 175.900 0.133 0.000 1.154 418 Y CA 2.378 60.579 58.100 0.169 0.000 1.149 418 Y CB -0.171 38.356 38.460 0.111 0.000 0.976 418 Y HN 0.210 nan 8.280 nan 0.000 0.505 419 Q N 0.540 120.522 119.800 0.303 0.000 2.096 419 Q HA -0.276 4.068 4.340 0.006 0.000 0.204 419 Q C 2.399 178.448 176.000 0.081 0.000 0.982 419 Q CA 2.155 58.069 55.803 0.184 0.000 0.850 419 Q CB -0.245 28.623 28.738 0.217 0.000 0.901 419 Q HN 0.525 nan 8.270 nan 0.000 0.422 420 K N 0.103 120.566 120.400 0.104 0.000 2.001 420 K HA -0.136 4.187 4.320 0.006 0.000 0.208 420 K C 2.149 178.795 176.600 0.077 0.000 1.048 420 K CA 1.242 57.579 56.287 0.083 0.000 0.932 420 K CB -0.150 32.403 32.500 0.089 0.000 0.715 420 K HN 0.266 nan 8.250 nan 0.000 0.437 421 L N 0.495 121.780 121.223 0.103 0.000 2.046 421 L HA -0.152 4.192 4.340 0.006 0.000 0.208 421 L C 2.786 179.792 176.870 0.227 0.000 1.077 421 L CA 1.127 56.076 54.840 0.182 0.000 0.747 421 L CB -0.395 41.788 42.059 0.207 0.000 0.896 421 L HN 0.198 nan 8.230 nan 0.000 0.432 422 R N 0.311 120.774 120.500 -0.062 0.000 2.075 422 R HA -0.196 4.147 4.340 0.006 0.000 0.232 422 R C 2.275 178.489 176.300 -0.145 0.000 1.126 422 R CA 1.425 57.244 56.100 -0.468 0.000 0.963 422 R CB -0.402 29.357 30.300 -0.903 0.000 0.858 422 R HN 0.170 nan 8.270 nan 0.000 0.435 423 Q N -0.017 119.740 119.800 -0.073 0.000 2.061 423 Q HA -0.060 4.284 4.340 0.006 0.000 0.204 423 Q C 1.857 177.857 176.000 0.001 0.000 0.984 423 Q CA 2.447 58.231 55.803 -0.031 0.000 0.846 423 Q CB -0.570 28.167 28.738 -0.002 0.000 0.902 423 Q HN 0.419 nan 8.270 nan 0.000 0.421 424 A N -0.549 122.303 122.820 0.054 0.000 1.930 424 A HA -0.124 4.199 4.320 0.006 0.000 0.217 424 A C 1.980 179.619 177.584 0.092 0.000 1.175 424 A CA 1.286 53.365 52.037 0.070 0.000 0.627 424 A CB -0.975 18.083 19.000 0.096 0.000 0.815 424 A HN 0.561 nan 8.150 nan 0.000 0.443 425 F N 0.900 120.870 119.950 0.035 0.000 2.069 425 F HA -0.187 4.343 4.527 0.005 0.000 0.298 425 F C 1.877 177.665 175.800 -0.019 0.000 1.113 425 F CA 1.951 59.983 58.000 0.054 0.000 1.214 425 F CB -0.451 38.626 39.000 0.128 0.000 0.978 425 F HN 0.144 nan 8.300 nan 0.000 0.474 426 L N -0.560 120.478 121.223 -0.309 0.000 2.083 426 L HA -0.207 4.136 4.340 0.006 0.000 0.209 426 L C 2.476 179.183 176.870 -0.270 0.000 1.083 426 L CA 1.490 56.094 54.840 -0.392 0.000 0.752 426 L CB -0.949 40.978 42.059 -0.221 0.000 0.899 426 L HN 0.112 nan 8.230 nan 0.000 0.433 427 S N -0.205 115.403 115.700 -0.154 0.000 2.428 427 S HA -0.042 4.432 4.470 0.006 0.000 0.230 427 S C 1.892 176.444 174.600 -0.080 0.000 1.014 427 S CA 0.997 59.141 58.200 -0.094 0.000 0.957 427 S CB -0.106 63.065 63.200 -0.049 0.000 0.784 427 S HN 0.596 nan 8.310 nan 0.000 0.499 428 G N 0.668 109.407 108.800 -0.103 0.000 2.603 428 G HA2 0.126 4.090 3.960 0.006 0.000 0.214 428 G HA3 0.126 4.090 3.960 0.006 0.000 0.214 428 G C 0.371 175.219 174.900 -0.086 0.000 1.140 428 G CA -0.191 44.868 45.100 -0.068 0.000 0.800 428 G HN 0.357 nan 8.290 nan 0.000 0.533 429 L N 3.074 124.189 121.223 -0.179 0.000 2.455 429 L HA 0.399 4.742 4.340 0.006 0.000 0.272 429 L C 0.833 177.749 176.870 0.077 0.000 1.174 429 L CA -0.044 54.724 54.840 -0.119 0.000 0.869 429 L CB 0.750 42.639 42.059 -0.284 0.000 1.130 429 L HN 0.148 nan 8.230 nan 0.000 0.474 430 T N 1.756 116.304 114.554 -0.010 0.000 2.952 430 T HA 0.305 4.659 4.350 0.006 0.000 0.286 430 T C 0.994 175.358 174.700 -0.560 0.000 1.024 430 T CA -0.688 61.310 62.100 -0.170 0.000 1.029 430 T CB 1.088 69.868 68.868 -0.147 0.000 1.094 430 T HN 0.566 nan 8.240 nan 0.000 0.515 431 L N 1.945 122.539 121.223 -1.047 0.000 2.013 431 L HA 0.029 4.373 4.340 0.006 0.000 0.212 431 L C 2.788 179.379 176.870 -0.465 0.000 1.073 431 L CA 2.636 56.816 54.840 -1.100 0.000 0.753 431 L CB -1.477 40.143 42.059 -0.732 0.000 0.890 431 L HN 0.956 nan 8.230 nan 0.000 0.432 432 A N -1.000 121.641 122.820 -0.299 0.000 1.908 432 A HA -0.259 4.064 4.320 0.006 0.000 0.218 432 A C 2.169 179.682 177.584 -0.119 0.000 1.181 432 A CA 2.013 53.950 52.037 -0.166 0.000 0.627 432 A CB -0.643 18.284 19.000 -0.121 0.000 0.818 432 A HN 0.647 nan 8.150 nan 0.000 0.445 433 E N -0.980 119.152 120.200 -0.114 0.000 2.047 433 E HA -0.143 4.210 4.350 0.006 0.000 0.191 433 E C 1.968 178.557 176.600 -0.018 0.000 0.987 433 E CA 1.116 57.489 56.400 -0.044 0.000 0.799 433 E CB -0.239 29.450 29.700 -0.020 0.000 0.752 433 E HN 0.463 nan 8.360 nan 0.000 0.449 434 L N 1.687 122.895 121.223 -0.026 0.000 2.046 434 L HA -0.150 4.194 4.340 0.006 0.000 0.208 434 L C 1.635 178.510 176.870 0.007 0.000 1.077 434 L CA 1.639 56.508 54.840 0.047 0.000 0.747 434 L CB -0.412 41.748 42.059 0.169 0.000 0.896 434 L HN 0.023 nan 8.230 nan 0.000 0.432 435 N N -0.389 118.281 118.700 -0.050 0.000 2.166 435 N HA -0.200 4.544 4.740 0.006 0.000 0.186 435 N C 1.974 177.465 175.510 -0.032 0.000 1.019 435 N CA 1.038 54.061 53.050 -0.045 0.000 0.856 435 N CB -0.321 38.120 38.487 -0.076 0.000 0.993 435 N HN 0.218 nan 8.380 nan 0.000 0.426 436 R N 1.535 122.017 120.500 -0.031 0.000 2.081 436 R HA -0.101 4.243 4.340 0.006 0.000 0.235 436 R C 1.927 178.225 176.300 -0.004 0.000 1.131 436 R CA 1.439 57.530 56.100 -0.016 0.000 0.960 436 R CB -0.634 29.658 30.300 -0.014 0.000 0.856 436 R HN 0.146 nan 8.270 nan 0.000 0.436 437 E N 0.134 120.338 120.200 0.007 0.000 2.077 437 E HA -0.138 4.215 4.350 0.006 0.000 0.193 437 E C 1.939 178.536 176.600 -0.004 0.000 0.989 437 E CA 1.617 58.026 56.400 0.015 0.000 0.800 437 E CB -0.378 29.346 29.700 0.039 0.000 0.746 437 E HN 0.434 nan 8.360 nan 0.000 0.452 438 L N 0.397 121.616 121.223 -0.007 0.000 2.012 438 L HA -0.211 4.133 4.340 0.006 0.000 0.210 438 L C 2.713 179.566 176.870 -0.028 0.000 1.073 438 L CA 1.842 56.667 54.840 -0.025 0.000 0.748 438 L CB -0.464 41.582 42.059 -0.022 0.000 0.891 438 L HN 0.173 nan 8.230 nan 0.000 0.431 439 K N -0.150 120.239 120.400 -0.018 0.000 2.026 439 K HA -0.242 4.081 4.320 0.006 0.000 0.208 439 K C 2.123 178.724 176.600 0.003 0.000 1.048 439 K CA 1.624 57.906 56.287 -0.008 0.000 0.929 439 K CB -0.031 32.464 32.500 -0.009 0.000 0.713 439 K HN 0.330 nan 8.250 nan 0.000 0.439 440 Q N 0.201 120.003 119.800 0.002 0.000 2.050 440 Q HA -0.195 4.149 4.340 0.006 0.000 0.202 440 Q C 2.315 178.319 176.000 0.007 0.000 0.980 440 Q CA 1.842 57.652 55.803 0.013 0.000 0.840 440 Q CB -0.002 28.744 28.738 0.014 0.000 0.898 440 Q HN 0.423 nan 8.270 nan 0.000 0.424 441 Q N 0.113 119.892 119.800 -0.035 0.000 2.084 441 Q HA -0.117 4.227 4.340 0.006 0.000 0.202 441 Q C 1.916 177.846 176.000 -0.116 0.000 0.978 441 Q CA 0.956 56.690 55.803 -0.115 0.000 0.844 441 Q CB -0.002 28.622 28.738 -0.189 0.000 0.898 441 Q HN 0.403 nan 8.270 nan 0.000 0.426 442 L N 0.111 121.307 121.223 -0.045 0.000 2.599 442 L HA 0.013 4.357 4.340 0.006 0.000 0.230 442 L C 1.638 178.597 176.870 0.149 0.000 1.141 442 L CA 0.101 54.980 54.840 0.065 0.000 0.877 442 L CB 0.187 42.275 42.059 0.047 0.000 1.009 442 L HN 0.040 nan 8.230 nan 0.000 0.447 443 S N -1.195 114.570 115.700 0.109 0.000 2.558 443 S HA 0.076 4.549 4.470 0.006 0.000 0.217 443 S C 0.684 175.382 174.600 0.163 0.000 0.975 443 S CA 0.082 58.352 58.200 0.117 0.000 0.912 443 S CB 0.039 63.281 63.200 0.071 0.000 0.776 443 S HN 0.294 nan 8.310 nan 0.000 0.526 444 Q N 2.415 122.352 119.800 0.228 0.000 2.279 444 Q HA 0.249 4.592 4.340 0.006 0.000 0.256 444 Q C -0.841 175.419 176.000 0.434 0.000 0.937 444 Q CA -0.201 55.784 55.803 0.303 0.000 0.933 444 Q CB 0.580 29.522 28.738 0.341 0.000 1.189 444 Q HN 0.192 nan 8.270 nan 0.000 0.417 445 D N 1.724 122.285 120.400 0.267 0.000 2.455 445 D HA -0.010 4.633 4.640 0.006 0.000 0.241 445 D C 0.366 176.682 176.300 0.027 0.000 1.138 445 D CA 0.511 54.626 54.000 0.192 0.000 0.877 445 D CB 0.707 41.570 40.800 0.105 0.000 1.187 445 D HN 0.289 nan 8.370 nan 0.000 0.451 446 T N 1.043 115.501 114.554 -0.161 0.000 2.766 446 T HA 0.230 4.584 4.350 0.006 0.000 0.295 446 T C -0.129 174.261 174.700 -0.516 0.000 1.024 446 T CA -0.111 61.475 62.100 -0.858 0.000 1.018 446 T CB 0.411 68.692 68.868 -0.978 0.000 1.002 446 T HN 0.192 nan 8.240 nan 0.000 0.532 447 T N 3.935 118.154 114.554 -0.558 0.000 2.779 447 T HA 0.476 4.830 4.350 0.006 0.000 0.280 447 T C -0.382 174.129 174.700 -0.315 0.000 0.987 447 T CA -0.522 61.395 62.100 -0.305 0.000 0.966 447 T CB 0.490 69.263 68.868 -0.158 0.000 0.933 447 T HN 0.398 nan 8.240 nan 0.000 0.442 448 L N 3.704 124.766 121.223 -0.269 0.000 2.278 448 L HA 0.538 4.881 4.340 0.006 0.000 0.287 448 L C -0.452 176.327 176.870 -0.151 0.000 1.072 448 L CA -0.800 53.891 54.840 -0.250 0.000 0.819 448 L CB 0.781 42.681 42.059 -0.266 0.000 1.176 448 L HN 0.314 nan 8.230 nan 0.000 0.435 449 V N 5.098 124.933 119.914 -0.132 0.000 2.376 449 V HA 0.356 4.480 4.120 0.006 0.000 0.287 449 V C -0.029 176.011 176.094 -0.090 0.000 1.015 449 V CA -0.411 61.831 62.300 -0.096 0.000 0.834 449 V CB 1.860 33.645 31.823 -0.064 0.000 1.001 449 V HN 0.479 nan 8.190 nan 0.000 0.428 453 P HA -0.007 nan 4.420 nan 0.000 0.271 453 P C -0.912 176.389 177.300 0.001 0.000 1.218 453 P CA -0.181 62.919 63.100 -0.001 0.000 0.780 453 P CB 0.525 32.225 31.700 -0.001 0.000 0.901 454 K N 1.857 122.258 120.400 0.002 0.000 2.524 454 K HA 0.133 4.457 4.320 0.006 0.000 0.279 454 K C 1.174 177.774 176.600 0.001 0.000 0.993 454 K CA 1.158 57.446 56.287 0.002 0.000 1.030 454 K CB -0.694 31.808 32.500 0.004 0.000 0.891 454 K HN 0.770 nan 8.250 nan 0.000 0.488 455 G N 2.539 111.339 108.800 0.000 0.000 2.225 455 G HA2 -0.304 3.660 3.960 0.006 0.000 0.254 455 G HA3 -0.304 3.660 3.960 0.006 0.000 0.254 455 G C -0.018 174.881 174.900 -0.001 0.000 0.988 455 G CA 0.400 45.500 45.100 -0.000 0.000 0.625 455 G HN 0.701 nan 8.290 nan 0.000 0.527 456 E N 1.772 121.971 120.200 -0.001 0.000 2.289 456 E HA 0.459 4.813 4.350 0.006 0.000 0.278 456 E C -2.012 174.587 176.600 -0.002 0.000 1.032 456 E CA -1.879 54.520 56.400 -0.001 0.000 0.854 456 E CB 0.722 30.421 29.700 -0.001 0.000 1.046 456 E HN 0.124 nan 8.360 nan 0.000 0.409 457 P HA -0.094 nan 4.420 nan 0.000 0.262 457 P C -0.813 176.485 177.300 -0.003 0.000 1.182 457 P CA 0.382 63.481 63.100 -0.002 0.000 0.761 457 P CB 0.381 32.080 31.700 -0.001 0.000 0.795 458 E N 2.374 122.571 120.200 -0.004 0.000 2.465 458 E HA 0.038 4.392 4.350 0.006 0.000 0.260 458 E C -0.587 176.009 176.600 -0.006 0.000 0.980 458 E CA -0.242 56.154 56.400 -0.007 0.000 0.927 458 E CB 0.399 30.094 29.700 -0.008 0.000 0.934 458 E HN 0.109 nan 8.360 nan 0.000 0.459 459 V N 5.114 125.023 119.914 -0.008 0.000 2.583 459 V HA -0.016 4.107 4.120 0.006 0.000 0.287 459 V C 0.618 176.706 176.094 -0.008 0.000 1.051 459 V CA -0.524 61.772 62.300 -0.006 0.000 1.010 459 V CB 1.265 33.085 31.823 -0.006 0.000 0.988 459 V HN 0.674 nan 8.190 nan 0.000 0.478 460 N N 3.992 122.689 118.700 -0.004 0.000 2.421 460 N HA 0.021 4.764 4.740 0.006 0.000 0.260 460 N C 0.807 176.313 175.510 -0.005 0.000 1.173 460 N CA 0.012 53.060 53.050 -0.004 0.000 0.960 460 N CB 1.367 39.855 38.487 0.001 0.000 1.273 460 N HN 0.574 nan 8.380 nan 0.000 0.497 461 V N 1.891 121.797 119.914 -0.014 0.000 3.041 461 V HA -0.018 4.105 4.120 0.006 0.000 0.260 461 V C 1.832 177.918 176.094 -0.013 0.000 1.105 461 V CA 0.959 63.247 62.300 -0.021 0.000 1.125 461 V CB -0.456 31.343 31.823 -0.041 0.000 0.730 461 V HN 0.406 nan 8.190 nan 0.000 0.479 462 K N 1.601 121.998 120.400 -0.006 0.000 2.057 462 K HA 0.052 4.375 4.320 0.006 0.000 0.206 462 K C 2.461 179.069 176.600 0.013 0.000 1.050 462 K CA 1.541 57.830 56.287 0.003 0.000 0.935 462 K CB -0.507 31.995 32.500 0.004 0.000 0.715 462 K HN 0.549 nan 8.250 nan 0.000 0.439 463 A N 1.461 124.289 122.820 0.013 0.000 1.902 463 A HA -0.156 4.168 4.320 0.006 0.000 0.217 463 A C 2.119 179.722 177.584 0.032 0.000 1.181 463 A CA 1.153 53.202 52.037 0.021 0.000 0.623 463 A CB -0.515 18.495 19.000 0.017 0.000 0.818 463 A HN 0.207 nan 8.150 nan 0.000 0.443 464 L N -0.485 120.753 121.223 0.026 0.000 2.046 464 L HA -0.179 4.164 4.340 0.006 0.000 0.208 464 L C 2.536 179.445 176.870 0.065 0.000 1.077 464 L CA 2.586 57.450 54.840 0.038 0.000 0.747 464 L CB -0.647 41.420 42.059 0.015 0.000 0.896 464 L HN 0.523 nan 8.230 nan 0.000 0.432 465 Q N 0.041 119.866 119.800 0.041 0.000 2.084 465 Q HA -0.256 4.087 4.340 0.006 0.000 0.202 465 Q C 1.950 178.020 176.000 0.117 0.000 0.978 465 Q CA 2.199 58.040 55.803 0.063 0.000 0.844 465 Q CB -0.148 28.602 28.738 0.020 0.000 0.898 465 Q HN 0.757 nan 8.270 nan 0.000 0.426 466 E N -0.280 119.965 120.200 0.076 0.000 2.051 466 E HA -0.184 4.169 4.350 0.006 0.000 0.192 466 E C 1.960 178.603 176.600 0.073 0.000 0.991 466 E CA 1.557 57.996 56.400 0.066 0.000 0.799 466 E CB -0.611 29.114 29.700 0.042 0.000 0.748 466 E HN 0.440 nan 8.360 nan 0.000 0.449 467 I N 0.262 120.879 120.570 0.078 0.000 2.163 467 I HA -0.302 3.872 4.170 0.006 0.000 0.243 467 I C 2.540 178.710 176.117 0.090 0.000 1.085 467 I CA 1.653 62.996 61.300 0.073 0.000 1.347 467 I CB -0.369 37.675 38.000 0.074 0.000 1.044 467 I HN 0.132 nan 8.210 nan 0.000 0.408 468 Y N 2.267 122.575 120.300 0.014 0.000 2.128 468 Y HA -0.315 4.238 4.550 0.004 0.000 0.284 468 Y C 2.428 178.338 175.900 0.017 0.000 1.154 468 Y CA 1.895 60.005 58.100 0.015 0.000 1.149 468 Y CB -0.343 38.122 38.460 0.008 0.000 0.976 468 Y HN 0.192 nan 8.280 nan 0.000 0.505 469 N N 0.267 119.041 118.700 0.124 0.000 2.149 469 N HA -0.154 4.589 4.740 0.006 0.000 0.188 469 N C 2.024 177.507 175.510 -0.045 0.000 1.019 469 N CA 1.368 54.438 53.050 0.034 0.000 0.857 469 N CB -1.085 37.453 38.487 0.085 0.000 0.997 469 N HN 0.584 nan 8.380 nan 0.000 0.426 470 G N 1.096 109.880 108.800 -0.028 0.000 2.440 470 G HA2 -0.110 3.854 3.960 0.006 0.000 0.218 470 G HA3 -0.110 3.854 3.960 0.006 0.000 0.218 470 G C 0.943 175.801 174.900 -0.070 0.000 1.154 470 G CA 0.345 45.425 45.100 -0.033 0.000 0.767 470 G HN 0.225 nan 8.290 nan 0.000 0.552 473 A N 0.000 122.778 122.820 -0.070 0.000 2.254 473 A HA 0.000 4.324 4.320 0.006 0.000 0.244 473 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 473 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 473 A HN 0.000 nan 8.150 nan 0.000 0.486