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 2qtk_1_A DATA FIRST_RESID 4 DATA SEQUENCE GFLEDAKTDL VLRNYYFNRD FXXXXXXKSL VDEWAQGFIL KFSSGYTPGT DATA SEQUENCE VGVGLDAIGL FGVKLNXXXX XXNSELLPLH XXXXAADNYG RVGVAAKLRV DATA SEQUENCE SASELKIGEM LPDIPLLRYD DGRLLPQTFR GFAVVSRELP GLALQAGRFD DATA SEQUENCE AVSLRNSADM QDLSAWSAPT QKSDGFNYAG AEYRFNRERT QLGLWHGQLE DATA SEQUENCE DVYRQSYANL LHKQRVGDWT LGANLGLFVD RDDGAARAGE IDSHTVYGLF DATA SEQUENCE SAGIGLHTFY LGLQKVGGDS GWQSVYGSSG RSMGNDMFNG NFTNADERSW DATA SEQUENCE QVRYDYDFVG LGWPGLIGMV RYGHGSNATT KAGSGGKEWE RDVELGYTVQ DATA SEQUENCE SGPLARLNVR LNHASNRRSF NSDFDQTRLV VSYPLSW 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 4 G C 0.000 175.015 174.900 0.191 0.000 0.946 4 G CA 0.000 45.194 45.100 0.156 0.000 0.502 5 F N 0.334 120.316 119.950 0.054 0.000 2.282 5 F HA -0.413 4.113 4.527 -0.001 0.000 0.265 5 F C 2.401 178.237 175.800 0.058 0.000 1.139 5 F CA 3.034 61.057 58.000 0.038 0.000 1.505 5 F CB -0.506 38.523 39.000 0.048 0.000 0.829 5 F HN 0.388 nan 8.300 nan 0.000 0.496 6 L N -0.695 120.713 121.223 0.309 0.000 2.005 6 L HA -0.189 4.150 4.340 -0.001 0.000 0.207 6 L C 2.416 179.338 176.870 0.086 0.000 1.072 6 L CA 1.671 56.622 54.840 0.186 0.000 0.744 6 L CB -0.907 41.287 42.059 0.226 0.000 0.895 6 L HN 0.304 nan 8.230 nan 0.000 0.433 7 E N 0.358 120.615 120.200 0.096 0.000 2.103 7 E HA -0.242 4.108 4.350 -0.001 0.000 0.229 7 E C 0.087 176.709 176.600 0.036 0.000 1.061 7 E CA 1.552 57.992 56.400 0.067 0.000 0.916 7 E CB -0.419 29.324 29.700 0.072 0.000 0.806 7 E HN 0.465 nan 8.360 nan 0.000 0.489 8 D N -0.049 120.359 120.400 0.014 0.000 2.347 8 D HA 0.439 5.078 4.640 -0.001 0.000 0.235 8 D C -0.881 175.354 176.300 -0.108 0.000 1.149 8 D CA 0.175 54.162 54.000 -0.021 0.000 0.850 8 D CB 1.392 42.192 40.800 0.000 0.000 1.061 8 D HN 0.163 nan 8.370 nan 0.000 0.487 9 A N 2.856 125.610 122.820 -0.110 0.000 2.550 9 A HA 0.346 4.665 4.320 -0.001 0.000 0.282 9 A C -0.270 177.223 177.584 -0.152 0.000 1.071 9 A CA -1.040 50.854 52.037 -0.239 0.000 0.838 9 A CB 0.927 19.833 19.000 -0.158 0.000 1.361 9 A HN 0.410 nan 8.150 nan 0.000 0.408 10 K N 1.069 121.336 120.400 -0.222 0.000 2.143 10 K HA 0.722 5.042 4.320 -0.001 0.000 0.272 10 K C -0.970 175.595 176.600 -0.058 0.000 1.001 10 K CA -0.033 56.201 56.287 -0.089 0.000 0.915 10 K CB 1.267 33.714 32.500 -0.088 0.000 1.047 10 K HN 0.320 nan 8.250 nan 0.000 0.458 11 T N 3.485 118.132 114.554 0.155 0.000 2.965 11 T HA 0.224 4.573 4.350 -0.001 0.000 0.306 11 T C -1.781 173.096 174.700 0.295 0.000 0.991 11 T CA -0.782 61.516 62.100 0.330 0.000 1.001 11 T CB 1.066 70.263 68.868 0.547 0.000 0.984 11 T HN 0.625 nan 8.240 nan 0.000 0.446 12 D N 2.653 123.168 120.400 0.191 0.000 2.391 12 D HA 0.479 5.118 4.640 -0.001 0.000 0.245 12 D C -0.799 175.587 176.300 0.143 0.000 1.069 12 D CA -0.561 53.492 54.000 0.088 0.000 0.831 12 D CB 1.311 42.127 40.800 0.027 0.000 1.204 12 D HN 0.175 nan 8.370 nan 0.000 0.503 13 L N 3.118 124.398 121.223 0.095 0.000 2.333 13 L HA 0.575 4.914 4.340 -0.001 0.000 0.280 13 L C -1.375 175.548 176.870 0.088 0.000 1.004 13 L CA -0.785 54.157 54.840 0.169 0.000 0.820 13 L CB 1.611 43.850 42.059 0.299 0.000 1.247 13 L HN 0.190 nan 8.230 nan 0.000 0.416 14 V N 5.900 125.874 119.914 0.100 0.000 2.443 14 V HA 0.360 4.479 4.120 -0.001 0.000 0.293 14 V C -0.253 175.856 176.094 0.025 0.000 1.021 14 V CA -0.770 61.563 62.300 0.056 0.000 0.848 14 V CB 2.022 33.867 31.823 0.036 0.000 0.998 14 V HN 0.458 nan 8.190 nan 0.000 0.424 15 L N 5.290 126.516 121.223 0.005 0.000 2.305 15 L HA 0.572 4.911 4.340 -0.001 0.000 0.281 15 L C 0.316 177.131 176.870 -0.093 0.000 1.085 15 L CA 0.257 55.001 54.840 -0.159 0.000 0.813 15 L CB 0.744 42.729 42.059 -0.123 0.000 1.157 15 L HN 0.627 nan 8.230 nan 0.000 0.436 16 R N 3.287 123.699 120.500 -0.146 0.000 2.521 16 R HA 0.278 4.617 4.340 -0.001 0.000 0.295 16 R C -0.920 175.393 176.300 0.021 0.000 1.183 16 R CA -0.431 55.660 56.100 -0.015 0.000 0.957 16 R CB 0.729 31.059 30.300 0.049 0.000 1.171 16 R HN 0.682 nan 8.270 nan 0.000 0.494 17 N N 3.798 122.538 118.700 0.065 0.000 2.434 17 N HA 0.085 4.824 4.740 -0.001 0.000 0.272 17 N C -1.647 174.040 175.510 0.295 0.000 1.040 17 N CA 0.115 53.257 53.050 0.154 0.000 0.956 17 N CB 0.921 39.512 38.487 0.174 0.000 1.108 17 N HN 0.588 nan 8.380 nan 0.000 0.481 18 Y N 3.743 124.188 120.300 0.242 0.000 2.361 18 Y HA 0.265 4.815 4.550 -0.001 0.000 0.337 18 Y C -1.380 174.809 175.900 0.483 0.000 0.965 18 Y CA -1.103 57.163 58.100 0.277 0.000 1.091 18 Y CB 1.054 39.611 38.460 0.161 0.000 1.182 18 Y HN 0.479 nan 8.280 nan 0.000 0.450 19 Y N 7.730 128.293 120.300 0.438 0.000 2.334 19 Y HA 0.448 4.998 4.550 -0.001 0.000 0.336 19 Y C -2.118 173.990 175.900 0.347 0.000 0.960 19 Y CA -1.883 56.401 58.100 0.308 0.000 1.164 19 Y CB 0.691 39.101 38.460 -0.083 0.000 1.155 19 Y HN 0.579 nan 8.280 nan 0.000 0.478 20 F N 6.579 126.360 119.950 -0.282 0.000 2.458 20 F HA 0.527 5.053 4.527 -0.001 0.000 0.336 20 F C -1.153 174.287 175.800 -0.600 0.000 1.114 20 F CA -0.573 57.245 58.000 -0.304 0.000 0.987 20 F CB 1.143 40.125 39.000 -0.031 0.000 1.130 20 F HN 0.632 nan 8.300 nan 0.000 0.458 21 N N 4.468 122.528 118.700 -1.067 0.000 2.454 21 N HA 0.372 5.112 4.740 -0.001 0.000 0.291 21 N C -1.867 173.238 175.510 -0.675 0.000 1.079 21 N CA -0.711 51.927 53.050 -0.686 0.000 0.893 21 N CB 1.262 39.449 38.487 -0.499 0.000 1.512 21 N HN 0.730 nan 8.380 nan 0.000 0.497 22 R N 2.596 122.855 120.500 -0.402 0.000 2.451 22 R HA 0.360 4.699 4.340 -0.001 0.000 0.307 22 R C -1.811 174.341 176.300 -0.246 0.000 0.965 22 R CA -0.653 55.253 56.100 -0.323 0.000 0.865 22 R CB 0.836 30.983 30.300 -0.254 0.000 1.174 22 R HN 0.603 nan 8.270 nan 0.000 0.455 23 D N 4.459 124.735 120.400 -0.207 0.000 2.425 23 D HA 0.244 4.883 4.640 -0.001 0.000 0.240 23 D C -0.821 175.414 176.300 -0.108 0.000 1.080 23 D CA -0.348 53.586 54.000 -0.109 0.000 0.836 23 D CB 0.659 41.445 40.800 -0.023 0.000 1.125 23 D HN 0.213 nan 8.370 nan 0.000 0.525 32 S N 2.678 118.441 115.700 0.104 0.000 2.820 32 S HA 0.293 4.763 4.470 -0.001 0.000 0.265 32 S C -1.190 173.570 174.600 0.266 0.000 1.043 32 S CA -0.300 58.047 58.200 0.244 0.000 1.245 32 S CB 0.381 63.666 63.200 0.143 0.000 1.187 32 S HN 0.440 nan 8.310 nan 0.000 0.673 33 L N 1.670 123.017 121.223 0.205 0.000 2.493 33 L HA 0.706 5.046 4.340 -0.001 0.000 0.265 33 L C -1.814 175.128 176.870 0.121 0.000 0.954 33 L CA -0.427 54.492 54.840 0.132 0.000 0.844 33 L CB 1.899 44.010 42.059 0.086 0.000 1.302 33 L HN -0.082 nan 8.230 nan 0.000 0.405 34 V N 3.490 123.459 119.914 0.091 0.000 2.531 34 V HA 0.589 4.709 4.120 -0.001 0.000 0.301 34 V C -1.306 174.848 176.094 0.100 0.000 1.034 34 V CA -0.388 61.980 62.300 0.114 0.000 0.865 34 V CB 1.922 33.843 31.823 0.163 0.000 0.995 34 V HN 0.808 nan 8.190 nan 0.000 0.424 35 D N 2.960 123.436 120.400 0.127 0.000 2.381 35 D HA 0.353 4.993 4.640 -0.001 0.000 0.245 35 D C -0.442 175.984 176.300 0.209 0.000 1.297 35 D CA -0.229 53.856 54.000 0.141 0.000 0.931 35 D CB 0.905 41.799 40.800 0.157 0.000 1.334 35 D HN 0.609 nan 8.370 nan 0.000 0.535 36 E N 1.375 121.715 120.200 0.233 0.000 2.227 36 E HA 0.578 4.927 4.350 -0.001 0.000 0.268 36 E C -1.061 175.813 176.600 0.456 0.000 0.990 36 E CA -1.007 55.547 56.400 0.257 0.000 0.856 36 E CB 1.840 31.614 29.700 0.124 0.000 1.159 36 E HN 0.292 nan 8.360 nan 0.000 0.401 37 W N 1.306 122.720 121.300 0.190 0.000 3.036 37 W HA 0.578 5.237 4.660 -0.001 0.000 0.337 37 W C -1.704 174.894 176.519 0.132 0.000 1.055 37 W CA -0.730 56.756 57.345 0.234 0.000 1.248 37 W CB 0.993 30.586 29.460 0.222 0.000 1.335 37 W HN 0.562 nan 8.180 nan 0.000 0.446 38 A N 3.866 126.791 122.820 0.174 0.000 2.532 38 A HA 0.792 5.111 4.320 -0.001 0.000 0.290 38 A C -1.610 175.931 177.584 -0.071 0.000 1.143 38 A CA -0.665 51.348 52.037 -0.039 0.000 0.728 38 A CB 2.287 21.292 19.000 0.009 0.000 1.317 38 A HN 0.388 nan 8.150 nan 0.000 0.414 39 Q N -0.041 119.701 119.800 -0.096 0.000 2.321 39 Q HA 0.598 4.938 4.340 -0.001 0.000 0.270 39 Q C -0.393 175.596 176.000 -0.019 0.000 1.032 39 Q CA 0.125 55.882 55.803 -0.078 0.000 0.784 39 Q CB 1.769 30.454 28.738 -0.088 0.000 1.264 39 Q HN 1.217 nan 8.270 nan 0.000 0.448 40 G N 2.225 110.978 108.800 -0.078 0.000 2.453 40 G HA2 0.732 4.692 3.960 -0.001 0.000 0.323 40 G HA3 0.732 4.692 3.960 -0.001 0.000 0.323 40 G C -1.545 173.263 174.900 -0.153 0.000 1.198 40 G CA -0.454 44.648 45.100 0.004 0.000 0.959 40 G HN 0.421 nan 8.290 nan 0.000 0.482 41 F N 0.226 120.203 119.950 0.045 0.000 2.539 41 F HA 0.536 5.063 4.527 -0.001 0.000 0.318 41 F C -0.003 175.846 175.800 0.081 0.000 1.135 41 F CA -0.952 57.106 58.000 0.097 0.000 0.915 41 F CB 2.340 41.435 39.000 0.158 0.000 1.176 41 F HN 0.151 nan 8.300 nan 0.000 0.440 42 I N 5.114 125.816 120.570 0.219 0.000 2.466 42 I HA 0.262 4.432 4.170 -0.001 0.000 0.279 42 I C -1.338 174.876 176.117 0.162 0.000 1.033 42 I CA -0.690 60.704 61.300 0.158 0.000 1.123 42 I CB 1.573 39.638 38.000 0.108 0.000 1.237 42 I HN 0.308 nan 8.210 nan 0.000 0.460 43 L N 7.474 128.800 121.223 0.171 0.000 2.257 43 L HA 0.470 4.809 4.340 -0.001 0.000 0.290 43 L C -0.541 176.422 176.870 0.154 0.000 1.044 43 L CA -0.061 54.887 54.840 0.180 0.000 0.810 43 L CB 0.525 42.691 42.059 0.179 0.000 1.193 43 L HN 0.402 nan 8.230 nan 0.000 0.425 44 K N 5.591 126.086 120.400 0.157 0.000 2.358 44 K HA 0.370 4.689 4.320 -0.001 0.000 0.260 44 K C -1.490 175.215 176.600 0.176 0.000 0.956 44 K CA -0.543 55.824 56.287 0.133 0.000 0.834 44 K CB 1.811 34.354 32.500 0.073 0.000 1.102 44 K HN 0.473 nan 8.250 nan 0.000 0.431 45 F N 1.591 121.562 119.950 0.035 0.000 2.469 45 F HA 0.416 4.942 4.527 -0.001 0.000 0.332 45 F C -0.477 175.308 175.800 -0.025 0.000 1.103 45 F CA -0.433 57.576 58.000 0.015 0.000 0.979 45 F CB 1.831 40.833 39.000 0.004 0.000 1.137 45 F HN 0.318 nan 8.300 nan 0.000 0.463 46 S N 4.590 119.671 115.700 -1.032 0.000 2.721 46 S HA 0.408 4.877 4.470 -0.001 0.000 0.264 46 S C -0.581 173.387 174.600 -1.053 0.000 1.161 46 S CA -0.452 57.269 58.200 -0.798 0.000 1.113 46 S CB 0.102 63.083 63.200 -0.365 0.000 1.079 46 S HN 0.982 nan 8.310 nan 0.000 0.479 47 S N 3.767 118.801 115.700 -1.110 0.000 2.634 47 S HA 0.676 5.146 4.470 -0.001 0.000 0.254 47 S C 0.964 175.191 174.600 -0.621 0.000 1.299 47 S CA -0.010 57.629 58.200 -0.934 0.000 0.974 47 S CB 0.089 62.599 63.200 -1.151 0.000 1.001 47 S HN 0.876 nan 8.310 nan 0.000 0.584 48 G N -1.163 107.329 108.800 -0.515 0.000 2.606 48 G HA2 0.558 4.517 3.960 -0.001 0.000 0.262 48 G HA3 0.558 4.517 3.960 -0.001 0.000 0.262 48 G C -1.542 173.220 174.900 -0.230 0.000 1.394 48 G CA -0.828 44.136 45.100 -0.227 0.000 1.044 48 G HN 0.653 nan 8.290 nan 0.000 0.553 49 Y N -0.330 120.010 120.300 0.068 0.000 2.393 49 Y HA 0.414 4.964 4.550 -0.001 0.000 0.341 49 Y C 0.961 176.954 175.900 0.155 0.000 0.988 49 Y CA -0.589 57.586 58.100 0.126 0.000 1.078 49 Y CB 1.974 40.481 38.460 0.079 0.000 1.203 49 Y HN 0.609 nan 8.280 nan 0.000 0.453 50 T N 1.418 116.164 114.554 0.319 0.000 2.916 50 T HA 0.257 4.607 4.350 -0.001 0.000 0.303 50 T C -2.559 172.245 174.700 0.173 0.000 1.025 50 T CA -1.554 60.674 62.100 0.214 0.000 1.142 50 T CB 0.565 69.517 68.868 0.141 0.000 0.947 50 T HN 0.249 nan 8.240 nan 0.000 0.544 51 P HA 0.482 nan 4.420 nan 0.000 0.265 51 P C 0.534 177.878 177.300 0.074 0.000 1.193 51 P CA 0.759 63.915 63.100 0.093 0.000 0.765 51 P CB 0.316 32.060 31.700 0.075 0.000 0.823 52 G N 1.000 109.835 108.800 0.058 0.000 2.340 52 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.527 52 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.527 52 G C 0.705 175.626 174.900 0.035 0.000 1.381 52 G CA -0.256 44.870 45.100 0.044 0.000 1.001 52 G HN 0.305 nan 8.290 nan 0.000 0.626 53 T N -0.905 113.665 114.554 0.027 0.000 2.760 53 T HA 0.008 4.357 4.350 -0.001 0.000 0.269 53 T C 1.076 175.790 174.700 0.022 0.000 1.047 53 T CA 1.967 64.078 62.100 0.019 0.000 1.139 53 T CB -0.172 68.707 68.868 0.017 0.000 0.855 53 T HN 0.954 nan 8.240 nan 0.000 0.471 54 V N 0.769 120.706 119.914 0.037 0.000 2.483 54 V HA 0.649 4.769 4.120 -0.001 0.000 0.297 54 V C 0.313 176.461 176.094 0.090 0.000 1.027 54 V CA -1.092 61.240 62.300 0.052 0.000 0.855 54 V CB 1.584 33.437 31.823 0.050 0.000 0.995 54 V HN 0.298 nan 8.190 nan 0.000 0.424 55 G N 3.390 112.265 108.800 0.125 0.000 2.348 55 G HA2 0.641 4.601 3.960 -0.001 0.000 0.312 55 G HA3 0.641 4.601 3.960 -0.001 0.000 0.312 55 G C -0.563 174.544 174.900 0.345 0.000 1.126 55 G CA -0.465 44.786 45.100 0.252 0.000 0.865 55 G HN 0.922 nan 8.290 nan 0.000 0.474 56 V N 0.697 120.779 119.914 0.280 0.000 2.555 56 V HA 1.027 5.146 4.120 -0.001 0.000 0.302 56 V C 0.361 176.580 176.094 0.209 0.000 1.038 56 V CA -0.240 62.189 62.300 0.214 0.000 0.887 56 V CB 1.308 33.203 31.823 0.120 0.000 0.991 56 V HN 1.128 nan 8.190 nan 0.000 0.434 57 G N 2.415 111.290 108.800 0.125 0.000 2.708 57 G HA2 0.729 4.689 3.960 -0.001 0.000 0.289 57 G HA3 0.729 4.689 3.960 -0.001 0.000 0.289 57 G C -2.077 172.919 174.900 0.160 0.000 1.416 57 G CA -0.859 44.295 45.100 0.089 0.000 0.829 57 G HN 1.128 nan 8.290 nan 0.000 0.480 58 L N 0.103 121.416 121.223 0.150 0.000 2.431 58 L HA 0.748 5.087 4.340 -0.001 0.000 0.266 58 L C -1.638 175.289 176.870 0.096 0.000 0.978 58 L CA -0.693 54.259 54.840 0.186 0.000 0.822 58 L CB 2.333 44.621 42.059 0.382 0.000 1.310 58 L HN 0.452 nan 8.230 nan 0.000 0.409 59 D N 3.176 123.641 120.400 0.108 0.000 2.433 59 D HA 0.890 5.530 4.640 -0.001 0.000 0.236 59 D C -1.193 175.208 176.300 0.168 0.000 1.026 59 D CA -0.109 53.947 54.000 0.092 0.000 0.884 59 D CB 2.331 43.148 40.800 0.029 0.000 1.384 59 D HN 0.803 nan 8.370 nan 0.000 0.477 60 A N 1.036 123.972 122.820 0.193 0.000 2.589 60 A HA 0.689 5.008 4.320 -0.001 0.000 0.296 60 A C -1.638 176.026 177.584 0.133 0.000 1.062 60 A CA -0.632 51.500 52.037 0.159 0.000 0.686 60 A CB 1.316 20.415 19.000 0.165 0.000 1.282 60 A HN 0.503 nan 8.150 nan 0.000 0.404 61 I N 1.223 121.845 120.570 0.088 0.000 2.569 61 I HA 0.700 4.870 4.170 -0.001 0.000 0.290 61 I C -0.044 176.109 176.117 0.060 0.000 1.088 61 I CA -0.465 60.880 61.300 0.074 0.000 1.047 61 I CB 1.979 40.005 38.000 0.044 0.000 1.237 61 I HN 0.878 nan 8.210 nan 0.000 0.421 62 G N 8.119 116.961 108.800 0.069 0.000 2.487 62 G HA2 0.630 4.589 3.960 -0.001 0.000 0.314 62 G HA3 0.630 4.589 3.960 -0.001 0.000 0.314 62 G C -1.313 173.632 174.900 0.074 0.000 1.267 62 G CA -0.497 44.634 45.100 0.052 0.000 0.937 62 G HN 0.497 nan 8.290 nan 0.000 0.481 63 L N 2.240 123.495 121.223 0.053 0.000 2.333 63 L HA 0.635 4.975 4.340 -0.001 0.000 0.280 63 L C -1.207 175.703 176.870 0.068 0.000 1.004 63 L CA -0.875 53.993 54.840 0.047 0.000 0.820 63 L CB 1.971 44.017 42.059 -0.021 0.000 1.247 63 L HN 0.446 nan 8.230 nan 0.000 0.416 64 F N 1.831 121.721 119.950 -0.100 0.000 2.573 64 F HA 0.778 5.304 4.527 -0.001 0.000 0.316 64 F C -0.122 175.643 175.800 -0.058 0.000 1.148 64 F CA -0.564 57.336 58.000 -0.167 0.000 0.940 64 F CB 2.020 40.901 39.000 -0.199 0.000 1.214 64 F HN 0.383 nan 8.300 nan 0.000 0.448 65 G N 3.641 111.943 108.800 -0.830 0.000 2.519 65 G HA2 0.639 4.598 3.960 -0.001 0.000 0.307 65 G HA3 0.639 4.598 3.960 -0.001 0.000 0.307 65 G C -2.241 172.277 174.900 -0.638 0.000 1.266 65 G CA -0.932 43.858 45.100 -0.517 0.000 0.970 65 G HN 0.575 nan 8.290 nan 0.000 0.481 66 V N 1.438 121.164 119.914 -0.313 0.000 2.482 66 V HA 0.365 4.484 4.120 -0.001 0.000 0.295 66 V C 0.324 176.343 176.094 -0.125 0.000 1.026 66 V CA -1.101 61.054 62.300 -0.241 0.000 0.856 66 V CB 1.333 33.057 31.823 -0.166 0.000 1.001 66 V HN 0.942 nan 8.190 nan 0.000 0.424 67 K N 4.200 124.546 120.400 -0.090 0.000 2.286 67 K HA 0.471 4.790 4.320 -0.001 0.000 0.256 67 K C -0.331 176.210 176.600 -0.099 0.000 0.999 67 K CA -0.002 56.242 56.287 -0.071 0.000 0.908 67 K CB 0.473 32.936 32.500 -0.061 0.000 0.981 67 K HN 0.724 nan 8.250 nan 0.000 0.500 68 L N -0.103 121.071 121.223 -0.083 0.000 2.363 68 L HA 0.417 4.756 4.340 -0.001 0.000 0.266 68 L C -1.088 175.810 176.870 0.047 0.000 1.494 68 L CA -0.922 53.841 54.840 -0.128 0.000 0.704 68 L CB 0.083 41.899 42.059 -0.405 0.000 0.916 68 L HN 0.816 nan 8.230 nan 0.000 0.527 77 S N 0.254 115.869 115.700 -0.141 0.000 3.869 77 S HA 0.221 4.690 4.470 -0.001 0.000 0.241 77 S C 0.398 174.843 174.600 -0.258 0.000 1.363 77 S CA -0.310 57.771 58.200 -0.198 0.000 0.894 77 S CB 0.129 63.211 63.200 -0.197 0.000 1.519 77 S HN 0.406 nan 8.310 nan 0.000 0.470 78 E N 2.014 122.010 120.200 -0.339 0.000 2.030 78 E HA 0.098 4.447 4.350 -0.001 0.000 0.189 78 E C 1.646 177.956 176.600 -0.483 0.000 0.974 78 E CA 0.959 57.049 56.400 -0.517 0.000 0.807 78 E CB -0.213 28.894 29.700 -0.988 0.000 0.771 78 E HN 0.638 nan 8.360 nan 0.000 0.451 79 L N -0.139 120.824 121.223 -0.434 0.000 2.477 79 L HA 0.221 4.561 4.340 -0.001 0.000 0.220 79 L C 0.813 177.563 176.870 -0.200 0.000 1.106 79 L CA 0.103 54.735 54.840 -0.348 0.000 0.851 79 L CB 0.439 42.321 42.059 -0.295 0.000 0.994 79 L HN -0.039 nan 8.230 nan 0.000 0.462 80 L N -0.504 120.556 121.223 -0.271 0.000 2.518 80 L HA 0.459 4.798 4.340 -0.001 0.000 0.257 80 L C -2.588 173.993 176.870 -0.482 0.000 0.980 80 L CA -1.638 52.948 54.840 -0.423 0.000 0.837 80 L CB 3.018 44.922 42.059 -0.259 0.000 1.410 80 L HN -0.301 nan 8.230 nan 0.000 0.410 81 P HA 0.198 nan 4.420 nan 0.000 0.271 81 P C -1.511 175.602 177.300 -0.310 0.000 1.218 81 P CA -0.288 62.559 63.100 -0.421 0.000 0.780 81 P CB 0.764 32.206 31.700 -0.431 0.000 0.901 82 L N 0.698 121.799 121.223 -0.204 0.000 2.316 82 L HA 0.510 4.849 4.340 -0.001 0.000 0.280 82 L C 0.679 177.516 176.870 -0.055 0.000 1.006 82 L CA -0.939 53.791 54.840 -0.184 0.000 0.836 82 L CB -0.603 41.370 42.059 -0.142 0.000 1.221 82 L HN 0.378 nan 8.230 nan 0.000 0.418 89 A N 0.747 123.135 122.820 -0.719 0.000 2.456 89 A HA -0.009 4.311 4.320 -0.001 0.000 0.276 89 A C 1.031 178.481 177.584 -0.223 0.000 0.981 89 A CA 1.132 52.800 52.037 -0.616 0.000 1.123 89 A CB 0.034 18.806 19.000 -0.381 0.000 0.773 89 A HN 0.529 nan 8.150 nan 0.000 0.373 90 D N 1.158 121.501 120.400 -0.094 0.000 2.178 90 D HA -0.061 4.579 4.640 -0.001 0.000 0.201 90 D C 0.777 177.062 176.300 -0.024 0.000 0.980 90 D CA 2.071 56.051 54.000 -0.033 0.000 0.842 90 D CB -0.126 40.686 40.800 0.020 0.000 0.948 90 D HN 0.928 nan 8.370 nan 0.000 0.472 91 N N -1.466 117.250 118.700 0.027 0.000 3.395 91 N HA 0.296 5.035 4.740 -0.001 0.000 0.293 91 N C -1.688 173.980 175.510 0.263 0.000 1.489 91 N CA -0.908 52.171 53.050 0.048 0.000 0.871 91 N CB 0.851 39.248 38.487 -0.151 0.000 1.649 91 N HN -0.023 nan 8.380 nan 0.000 0.501 92 Y N -3.295 116.927 120.300 -0.130 0.000 2.661 92 Y HA 0.756 5.306 4.550 -0.001 0.000 0.339 92 Y C -0.851 175.077 175.900 0.047 0.000 1.186 92 Y CA -0.886 57.215 58.100 0.001 0.000 1.137 92 Y CB 0.533 38.983 38.460 -0.016 0.000 1.354 92 Y HN 1.031 nan 8.280 nan 0.000 0.469 93 G N 1.521 110.348 108.800 0.046 0.000 2.749 93 G HA2 0.810 4.770 3.960 -0.001 0.000 0.300 93 G HA3 0.810 4.770 3.960 -0.001 0.000 0.300 93 G C -1.967 172.951 174.900 0.030 0.000 1.352 93 G CA -1.161 43.954 45.100 0.025 0.000 0.789 93 G HN 0.942 nan 8.290 nan 0.000 0.509 94 R N -1.422 119.091 120.500 0.022 0.000 3.197 94 R HA 0.431 4.771 4.340 -0.001 0.000 0.261 94 R C -2.401 173.906 176.300 0.012 0.000 1.015 94 R CA -0.498 55.614 56.100 0.019 0.000 0.949 94 R CB 1.494 31.805 30.300 0.018 0.000 1.256 94 R HN 0.576 nan 8.270 nan 0.000 0.514 95 V N 2.136 122.056 119.914 0.011 0.000 2.531 95 V HA 0.743 4.863 4.120 -0.001 0.000 0.301 95 V C 0.181 176.289 176.094 0.023 0.000 1.034 95 V CA -0.287 62.021 62.300 0.013 0.000 0.865 95 V CB 1.780 33.603 31.823 -0.001 0.000 0.995 95 V HN 0.850 nan 8.190 nan 0.000 0.424 96 G N 2.960 111.780 108.800 0.033 0.000 2.482 96 G HA2 0.701 4.661 3.960 -0.001 0.000 0.317 96 G HA3 0.701 4.661 3.960 -0.001 0.000 0.317 96 G C -1.537 173.399 174.900 0.060 0.000 1.241 96 G CA -0.557 44.570 45.100 0.044 0.000 0.967 96 G HN 0.539 nan 8.290 nan 0.000 0.482 97 V N 0.057 120.012 119.914 0.070 0.000 2.914 97 V HA 0.893 5.013 4.120 -0.001 0.000 0.314 97 V C -0.199 175.954 176.094 0.099 0.000 1.084 97 V CA -0.517 61.835 62.300 0.086 0.000 0.963 97 V CB 2.060 33.928 31.823 0.076 0.000 1.025 97 V HN 1.327 nan 8.190 nan 0.000 0.432 98 A N 2.672 125.558 122.820 0.110 0.000 2.429 98 A HA 0.882 5.202 4.320 -0.001 0.000 0.289 98 A C -0.409 177.245 177.584 0.117 0.000 1.043 98 A CA -0.052 52.056 52.037 0.119 0.000 0.722 98 A CB 1.404 20.478 19.000 0.123 0.000 1.243 98 A HN 1.443 nan 8.150 nan 0.000 0.415 99 A N 2.432 125.324 122.820 0.119 0.000 2.371 99 A HA 0.672 4.991 4.320 -0.001 0.000 0.257 99 A C 0.115 177.771 177.584 0.120 0.000 1.089 99 A CA -0.069 52.038 52.037 0.115 0.000 0.794 99 A CB 0.287 19.348 19.000 0.102 0.000 1.029 99 A HN 0.715 nan 8.150 nan 0.000 0.488 100 K N 0.602 121.068 120.400 0.111 0.000 2.378 100 K HA 0.609 4.928 4.320 -0.001 0.000 0.252 100 K C -1.629 175.089 176.600 0.196 0.000 0.931 100 K CA -0.594 55.775 56.287 0.136 0.000 0.794 100 K CB 2.162 34.675 32.500 0.021 0.000 1.181 100 K HN 0.628 nan 8.250 nan 0.000 0.425 101 L N -0.693 120.687 121.223 0.261 0.000 2.516 101 L HA 0.602 4.941 4.340 -0.001 0.000 0.267 101 L C -0.990 176.021 176.870 0.235 0.000 0.957 101 L CA -0.666 54.325 54.840 0.253 0.000 0.860 101 L CB 1.883 44.032 42.059 0.151 0.000 1.265 101 L HN 0.546 nan 8.230 nan 0.000 0.403 102 R N 1.912 122.536 120.500 0.208 0.000 2.873 102 R HA 0.975 5.315 4.340 -0.001 0.000 0.264 102 R C -1.747 174.550 176.300 -0.004 0.000 1.026 102 R CA -0.925 55.184 56.100 0.015 0.000 1.002 102 R CB 2.482 32.586 30.300 -0.328 0.000 1.174 102 R HN 0.751 nan 8.270 nan 0.000 0.488 103 V N 1.628 121.524 119.914 -0.030 0.000 2.966 103 V HA 0.304 4.423 4.120 -0.001 0.000 0.288 103 V C 0.085 176.165 176.094 -0.025 0.000 1.380 103 V CA 0.677 62.967 62.300 -0.017 0.000 0.966 103 V CB 1.612 33.440 31.823 0.009 0.000 1.115 103 V HN 1.112 nan 8.190 nan 0.000 0.436 104 S N 4.688 120.373 115.700 -0.024 0.000 4.112 104 S HA -0.269 4.200 4.470 -0.001 0.000 0.602 104 S C 1.021 175.602 174.600 -0.031 0.000 1.939 104 S CA 2.116 60.304 58.200 -0.019 0.000 4.230 104 S CB -1.492 61.704 63.200 -0.007 0.000 0.245 104 S HN 2.729 nan 8.310 nan 0.000 0.530 105 A N 0.687 123.497 122.820 -0.017 0.000 2.701 105 A HA 0.685 5.005 4.320 -0.001 0.000 0.297 105 A C -0.025 177.557 177.584 -0.002 0.000 1.197 105 A CA 0.627 52.656 52.037 -0.014 0.000 0.963 105 A CB 0.273 19.274 19.000 0.003 0.000 1.175 105 A HN 0.740 nan 8.150 nan 0.000 0.531 106 S N -0.026 115.671 115.700 -0.005 0.000 2.521 106 S HA 0.535 5.004 4.470 -0.001 0.000 0.295 106 S C -0.665 173.950 174.600 0.024 0.000 1.098 106 S CA -0.627 57.584 58.200 0.020 0.000 0.999 106 S CB 2.040 65.256 63.200 0.027 0.000 1.034 106 S HN 0.567 nan 8.310 nan 0.000 0.483 107 E N 1.971 122.208 120.200 0.062 0.000 2.277 107 E HA 0.689 5.039 4.350 -0.001 0.000 0.266 107 E C -1.743 174.940 176.600 0.139 0.000 0.901 107 E CA -0.718 55.744 56.400 0.103 0.000 0.782 107 E CB 1.566 31.345 29.700 0.131 0.000 1.228 107 E HN 0.581 nan 8.360 nan 0.000 0.424 108 L N 2.902 124.226 121.223 0.168 0.000 2.431 108 L HA 0.558 4.898 4.340 -0.001 0.000 0.266 108 L C -1.597 175.393 176.870 0.200 0.000 0.978 108 L CA -0.584 54.365 54.840 0.181 0.000 0.822 108 L CB 1.521 43.669 42.059 0.149 0.000 1.310 108 L HN 0.469 nan 8.230 nan 0.000 0.409 109 K N 6.644 127.177 120.400 0.222 0.000 2.507 109 K HA 0.568 4.888 4.320 -0.001 0.000 0.252 109 K C -1.435 175.313 176.600 0.247 0.000 0.943 109 K CA -0.552 55.864 56.287 0.215 0.000 0.808 109 K CB 2.618 35.244 32.500 0.210 0.000 1.142 109 K HN 0.509 nan 8.250 nan 0.000 0.426 110 I N 1.539 122.233 120.570 0.206 0.000 2.433 110 I HA 0.565 4.734 4.170 -0.001 0.000 0.292 110 I C 0.641 176.870 176.117 0.187 0.000 1.001 110 I CA -0.302 61.126 61.300 0.213 0.000 1.119 110 I CB 1.852 39.937 38.000 0.141 0.000 1.289 110 I HN 0.926 nan 8.210 nan 0.000 0.438 111 G N 5.170 114.098 108.800 0.213 0.000 2.233 111 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.162 111 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.162 111 G C -1.309 173.714 174.900 0.205 0.000 1.327 111 G CA -0.659 44.549 45.100 0.179 0.000 1.187 111 G HN 0.649 nan 8.290 nan 0.000 0.479 112 E N 0.944 121.239 120.200 0.157 0.000 2.145 112 E HA 0.667 5.016 4.350 -0.001 0.000 0.270 112 E C 0.540 177.207 176.600 0.112 0.000 0.906 112 E CA -0.732 55.750 56.400 0.137 0.000 0.761 112 E CB 0.673 30.426 29.700 0.087 0.000 1.116 112 E HN 0.748 nan 8.360 nan 0.000 0.408 113 M N 2.262 121.925 119.600 0.105 0.000 2.907 113 M HA 0.463 4.942 4.480 -0.001 0.000 0.282 113 M C -1.287 174.966 176.300 -0.078 0.000 1.259 113 M CA -1.137 54.189 55.300 0.042 0.000 0.753 113 M CB 1.235 33.910 32.600 0.125 0.000 1.744 113 M HN 0.345 nan 8.290 nan 0.000 0.434 114 L N 1.528 122.641 121.223 -0.182 0.000 2.435 114 L HA 0.463 4.803 4.340 -0.001 0.000 0.253 114 L C -2.419 174.241 176.870 -0.351 0.000 1.087 114 L CA -1.643 52.916 54.840 -0.468 0.000 0.950 114 L CB 0.577 42.124 42.059 -0.853 0.000 1.304 114 L HN 0.380 nan 8.230 nan 0.000 0.453 115 P HA -0.027 nan 4.420 nan 0.000 0.260 115 P C -0.533 176.762 177.300 -0.009 0.000 1.185 115 P CA 0.383 63.348 63.100 -0.225 0.000 0.763 115 P CB 0.486 31.737 31.700 -0.749 0.000 0.776 116 D N 4.218 124.646 120.400 0.048 0.000 2.656 116 D HA 0.183 4.822 4.640 -0.001 0.000 0.303 116 D C -0.555 175.729 176.300 -0.027 0.000 1.199 116 D CA -0.397 53.668 54.000 0.108 0.000 0.797 116 D CB -0.185 40.771 40.800 0.259 0.000 1.170 116 D HN 0.085 nan 8.370 nan 0.000 0.509 117 I N -1.771 118.697 120.570 -0.170 0.000 3.067 117 I HA 0.629 4.798 4.170 -0.001 0.000 0.312 117 I C -1.917 173.922 176.117 -0.463 0.000 1.073 117 I CA -2.653 58.428 61.300 -0.365 0.000 1.016 117 I CB 0.956 38.632 38.000 -0.540 0.000 1.227 117 I HN -0.224 nan 8.210 nan 0.000 0.456 118 P HA -0.127 nan 4.420 nan 0.000 0.217 118 P C 1.607 178.699 177.300 -0.347 0.000 1.162 118 P CA 1.997 64.755 63.100 -0.570 0.000 0.901 118 P CB 0.136 31.328 31.700 -0.846 0.000 0.793 119 L N -2.547 118.498 121.223 -0.297 0.000 2.599 119 L HA 0.132 4.472 4.340 -0.001 0.000 0.230 119 L C 0.622 177.425 176.870 -0.111 0.000 1.141 119 L CA 0.094 54.947 54.840 0.022 0.000 0.877 119 L CB -0.148 42.119 42.059 0.347 0.000 1.009 119 L HN 0.019 nan 8.230 nan 0.000 0.447 120 L N 0.698 121.774 121.223 -0.245 0.000 2.673 120 L HA 0.306 4.645 4.340 -0.001 0.000 0.255 120 L C -0.884 175.819 176.870 -0.278 0.000 1.015 120 L CA -0.184 54.431 54.840 -0.375 0.000 0.930 120 L CB 0.749 42.453 42.059 -0.591 0.000 1.185 120 L HN 0.005 nan 8.230 nan 0.000 0.457 121 R N 4.288 124.696 120.500 -0.153 0.000 2.239 121 R HA 0.380 4.719 4.340 -0.001 0.000 0.332 121 R C -0.941 175.350 176.300 -0.016 0.000 0.988 121 R CA -0.846 55.204 56.100 -0.083 0.000 0.859 121 R CB 0.846 31.088 30.300 -0.096 0.000 1.148 121 R HN 0.573 nan 8.270 nan 0.000 0.482 122 Y N 0.313 120.597 120.300 -0.027 0.000 2.805 122 Y HA -0.020 4.529 4.550 -0.001 0.000 0.337 122 Y C 0.172 176.117 175.900 0.075 0.000 1.252 122 Y CA -0.344 57.828 58.100 0.120 0.000 1.515 122 Y CB 0.362 38.904 38.460 0.136 0.000 1.305 122 Y HN 0.452 nan 8.280 nan 0.000 0.600 123 D N 2.073 122.509 120.400 0.059 0.000 2.255 123 D HA 0.107 4.746 4.640 -0.001 0.000 0.249 123 D C -1.016 175.263 176.300 -0.035 0.000 1.078 123 D CA -0.151 53.813 54.000 -0.061 0.000 0.896 123 D CB 1.232 42.040 40.800 0.014 0.000 1.194 123 D HN 0.870 nan 8.370 nan 0.000 0.429 124 D N 1.390 121.738 120.400 -0.087 0.000 3.216 124 D HA 0.235 4.875 4.640 -0.001 0.000 0.348 124 D C 0.373 176.684 176.300 0.019 0.000 1.407 124 D CA -0.418 53.583 54.000 0.002 0.000 0.744 124 D CB -0.001 40.811 40.800 0.020 0.000 1.264 124 D HN 0.415 nan 8.370 nan 0.000 0.543 125 G N 0.421 109.230 108.800 0.014 0.000 3.371 125 G HA2 0.134 4.093 3.960 -0.001 0.000 0.248 125 G HA3 0.134 4.093 3.960 -0.001 0.000 0.248 125 G C 0.902 175.852 174.900 0.084 0.000 1.161 125 G CA -0.136 44.997 45.100 0.055 0.000 0.796 125 G HN 0.002 nan 8.290 nan 0.000 0.539 126 R N -1.356 119.143 120.500 -0.001 0.000 3.117 126 R HA 0.457 4.796 4.340 -0.001 0.000 0.137 126 R C 1.006 177.148 176.300 -0.264 0.000 0.996 126 R CA -0.767 55.169 56.100 -0.272 0.000 0.604 126 R CB -0.742 29.368 30.300 -0.317 0.000 1.038 126 R HN 0.086 nan 8.270 nan 0.000 0.389 127 L N 0.755 121.783 121.223 -0.325 0.000 2.034 127 L HA 0.203 4.542 4.340 -0.001 0.000 0.203 127 L C 0.134 177.005 176.870 0.001 0.000 1.074 127 L CA 1.863 56.629 54.840 -0.123 0.000 0.748 127 L CB -0.011 41.983 42.059 -0.107 0.000 0.905 127 L HN 0.131 nan 8.230 nan 0.000 0.439 128 L N -0.466 120.761 121.223 0.006 0.000 2.322 128 L HA 0.511 4.850 4.340 -0.001 0.000 0.269 128 L C -2.294 174.604 176.870 0.047 0.000 1.012 128 L CA -2.109 52.744 54.840 0.022 0.000 0.815 128 L CB 0.390 42.429 42.059 -0.033 0.000 1.295 128 L HN -0.046 nan 8.230 nan 0.000 0.438 129 P HA 0.194 nan 4.420 nan 0.000 0.278 129 P C -0.874 176.479 177.300 0.088 0.000 1.238 129 P CA -0.566 62.614 63.100 0.133 0.000 0.794 129 P CB 0.624 32.438 31.700 0.190 0.000 0.955 130 Q N 1.167 121.041 119.800 0.124 0.000 2.332 130 Q HA 0.300 4.639 4.340 -0.001 0.000 0.263 130 Q C -0.681 175.307 176.000 -0.020 0.000 0.979 130 Q CA 0.194 55.995 55.803 -0.004 0.000 0.885 130 Q CB 0.357 29.092 28.738 -0.005 0.000 1.218 130 Q HN 0.370 nan 8.270 nan 0.000 0.405 131 T N 3.303 117.740 114.554 -0.196 0.000 2.893 131 T HA 0.646 4.996 4.350 -0.001 0.000 0.291 131 T C -1.411 173.073 174.700 -0.359 0.000 1.028 131 T CA -0.466 61.532 62.100 -0.170 0.000 0.995 131 T CB 0.511 69.324 68.868 -0.093 0.000 1.051 131 T HN 0.498 nan 8.240 nan 0.000 0.470 132 F N 1.838 121.674 119.950 -0.189 0.000 2.575 132 F HA 0.719 5.246 4.527 -0.001 0.000 0.330 132 F C 0.569 176.337 175.800 -0.052 0.000 1.056 132 F CA -1.098 56.772 58.000 -0.216 0.000 0.964 132 F CB 1.819 40.444 39.000 -0.625 0.000 1.258 132 F HN 0.288 nan 8.300 nan 0.000 0.484 133 R N 0.545 121.244 120.500 0.332 0.000 2.574 133 R HA 0.693 5.033 4.340 -0.001 0.000 0.288 133 R C -0.521 176.120 176.300 0.569 0.000 1.004 133 R CA -0.247 56.079 56.100 0.377 0.000 0.895 133 R CB 1.766 32.201 30.300 0.225 0.000 1.191 133 R HN 0.934 nan 8.270 nan 0.000 0.444 134 G N 2.909 112.032 108.800 0.537 0.000 2.564 134 G HA2 0.166 4.125 3.960 -0.001 0.000 0.139 134 G HA3 0.166 4.125 3.960 -0.001 0.000 0.139 134 G C -1.805 173.316 174.900 0.368 0.000 1.147 134 G CA -0.137 45.205 45.100 0.404 0.000 1.031 134 G HN 0.540 nan 8.290 nan 0.000 0.482 135 F N -0.643 119.265 119.950 -0.069 0.000 2.645 135 F HA 0.963 5.489 4.527 -0.001 0.000 0.310 135 F C -0.425 175.291 175.800 -0.139 0.000 1.102 135 F CA -1.164 56.818 58.000 -0.030 0.000 0.952 135 F CB 1.728 40.714 39.000 -0.023 0.000 1.326 135 F HN 1.491 nan 8.300 nan 0.000 0.456 136 A N 1.844 124.670 122.820 0.010 0.000 2.517 136 A HA 0.744 5.064 4.320 -0.001 0.000 0.297 136 A C -2.076 175.596 177.584 0.147 0.000 1.050 136 A CA -0.769 51.259 52.037 -0.016 0.000 0.694 136 A CB 1.455 20.591 19.000 0.227 0.000 1.277 136 A HN 0.966 nan 8.150 nan 0.000 0.400 137 V N 1.599 121.575 119.914 0.103 0.000 2.581 137 V HA 0.668 4.787 4.120 -0.001 0.000 0.303 137 V C -0.489 175.685 176.094 0.133 0.000 1.041 137 V CA -0.589 61.790 62.300 0.132 0.000 0.907 137 V CB 1.746 33.635 31.823 0.110 0.000 0.994 137 V HN 0.721 nan 8.190 nan 0.000 0.442 138 V N 3.039 123.032 119.914 0.132 0.000 2.419 138 V HA 0.425 4.545 4.120 -0.001 0.000 0.287 138 V C -0.069 176.078 176.094 0.089 0.000 1.017 138 V CA -0.243 62.135 62.300 0.129 0.000 0.844 138 V CB 1.626 33.541 31.823 0.154 0.000 1.011 138 V HN 0.877 nan 8.190 nan 0.000 0.429 139 S N 4.922 120.663 115.700 0.067 0.000 2.489 139 S HA 0.642 5.111 4.470 -0.001 0.000 0.291 139 S C 0.212 174.840 174.600 0.048 0.000 1.151 139 S CA -0.656 57.572 58.200 0.047 0.000 1.082 139 S CB 0.795 64.013 63.200 0.030 0.000 1.019 139 S HN 0.738 nan 8.310 nan 0.000 0.492 140 R N 2.723 123.249 120.500 0.043 0.000 2.734 140 R HA 0.207 4.547 4.340 -0.001 0.000 0.395 140 R C 0.287 176.609 176.300 0.038 0.000 1.096 140 R CA -0.414 55.715 56.100 0.049 0.000 1.071 140 R CB 0.455 30.787 30.300 0.054 0.000 1.348 140 R HN 0.552 nan 8.270 nan 0.000 0.600 141 E N 0.378 120.595 120.200 0.029 0.000 2.152 141 E HA -0.045 4.305 4.350 -0.001 0.000 0.192 141 E C 0.379 176.995 176.600 0.027 0.000 0.983 141 E CA 0.804 57.217 56.400 0.022 0.000 0.818 141 E CB 0.309 30.017 29.700 0.013 0.000 0.758 141 E HN 0.095 nan 8.360 nan 0.000 0.467 142 L N 2.663 123.907 121.223 0.035 0.000 2.309 142 L HA 0.276 4.615 4.340 -0.001 0.000 0.282 142 L C -2.161 174.756 176.870 0.078 0.000 1.036 142 L CA -2.794 52.072 54.840 0.044 0.000 0.806 142 L CB 0.757 42.833 42.059 0.027 0.000 1.220 142 L HN -0.165 nan 8.230 nan 0.000 0.429 143 P HA 0.092 nan 4.420 nan 0.000 0.260 143 P C 0.815 178.223 177.300 0.179 0.000 1.185 143 P CA 0.779 63.943 63.100 0.108 0.000 0.763 143 P CB 0.677 32.431 31.700 0.091 0.000 0.776 144 G N 2.499 111.388 108.800 0.147 0.000 2.304 144 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.252 144 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.252 144 G C -0.112 174.945 174.900 0.261 0.000 1.014 144 G CA 0.050 45.240 45.100 0.150 0.000 0.619 144 G HN 0.639 nan 8.290 nan 0.000 0.525 145 L N 1.228 122.639 121.223 0.313 0.000 2.282 145 L HA 0.832 5.171 4.340 -0.001 0.000 0.288 145 L C 0.037 176.993 176.870 0.144 0.000 1.033 145 L CA 0.159 55.169 54.840 0.283 0.000 0.807 145 L CB 0.940 43.104 42.059 0.175 0.000 1.209 145 L HN 0.785 nan 8.230 nan 0.000 0.423 146 A N 6.116 129.011 122.820 0.125 0.000 2.318 146 A HA 0.684 5.004 4.320 -0.001 0.000 0.317 146 A C -1.166 176.440 177.584 0.036 0.000 1.159 146 A CA -0.612 51.479 52.037 0.090 0.000 0.799 146 A CB 1.083 20.156 19.000 0.122 0.000 1.194 146 A HN 0.573 nan 8.150 nan 0.000 0.479 147 L N 1.843 123.077 121.223 0.018 0.000 2.322 147 L HA 0.574 4.914 4.340 -0.001 0.000 0.279 147 L C 0.318 177.190 176.870 0.003 0.000 1.036 147 L CA 0.130 54.949 54.840 -0.035 0.000 0.807 147 L CB 1.250 43.288 42.059 -0.035 0.000 1.226 147 L HN 0.813 nan 8.230 nan 0.000 0.433 148 Q N 1.353 121.129 119.800 -0.040 0.000 2.421 148 Q HA 0.920 5.259 4.340 -0.001 0.000 0.280 148 Q C -1.405 174.623 176.000 0.047 0.000 1.085 148 Q CA -0.962 54.904 55.803 0.104 0.000 0.807 148 Q CB 3.226 32.165 28.738 0.336 0.000 1.405 148 Q HN 0.768 nan 8.270 nan 0.000 0.419 149 A N 0.241 123.042 122.820 -0.031 0.000 2.597 149 A HA 0.927 5.247 4.320 -0.001 0.000 0.292 149 A C -1.085 175.991 177.584 -0.847 0.000 1.057 149 A CA 0.093 51.823 52.037 -0.512 0.000 0.674 149 A CB 1.779 20.603 19.000 -0.293 0.000 1.278 149 A HN 0.876 nan 8.150 nan 0.000 0.416 150 G N -0.402 107.485 108.800 -1.522 0.000 2.313 150 G HA2 0.627 4.586 3.960 -0.001 0.000 0.296 150 G HA3 0.627 4.586 3.960 -0.001 0.000 0.296 150 G C -1.466 172.574 174.900 -1.433 0.000 1.356 150 G CA -0.121 44.073 45.100 -1.509 0.000 0.833 150 G HN 1.187 nan 8.290 nan 0.000 0.552 151 R N -1.011 118.587 120.500 -1.503 0.000 2.668 151 R HA 0.722 5.062 4.340 -0.001 0.000 0.272 151 R C -1.966 173.909 176.300 -0.709 0.000 1.019 151 R CA -0.779 54.853 56.100 -0.781 0.000 0.894 151 R CB 1.428 31.503 30.300 -0.376 0.000 1.228 151 R HN 0.372 nan 8.270 nan 0.000 0.460 152 F N 2.828 122.884 119.950 0.178 0.000 2.539 152 F HA 0.235 4.761 4.527 -0.001 0.000 0.328 152 F C 0.303 176.250 175.800 0.244 0.000 1.148 152 F CA -0.963 57.183 58.000 0.243 0.000 0.940 152 F CB 2.032 41.210 39.000 0.295 0.000 1.194 152 F HN 0.653 nan 8.300 nan 0.000 0.438 153 D N 0.684 121.303 120.400 0.365 0.000 2.366 153 D HA 0.372 5.012 4.640 -0.001 0.000 0.205 153 D C 0.330 176.765 176.300 0.225 0.000 1.022 153 D CA 0.270 54.422 54.000 0.253 0.000 0.868 153 D CB 0.400 41.312 40.800 0.186 0.000 0.953 153 D HN 0.361 nan 8.370 nan 0.000 0.514 154 A N 0.074 123.047 122.820 0.255 0.000 2.515 154 A HA 0.782 5.101 4.320 -0.001 0.000 0.296 154 A C -0.933 176.714 177.584 0.105 0.000 1.094 154 A CA -0.429 51.700 52.037 0.154 0.000 0.718 154 A CB 2.108 21.173 19.000 0.109 0.000 1.307 154 A HN 0.481 nan 8.150 nan 0.000 0.408 155 V N -1.798 118.083 119.914 -0.054 0.000 3.087 155 V HA 0.901 5.021 4.120 -0.001 0.000 0.306 155 V C -0.617 175.313 176.094 -0.274 0.000 1.187 155 V CA -0.144 61.957 62.300 -0.332 0.000 0.999 155 V CB 1.520 33.028 31.823 -0.525 0.000 1.049 155 V HN 1.510 nan 8.190 nan 0.000 0.431 156 S N 3.394 118.881 115.700 -0.355 0.000 2.707 156 S HA 0.695 5.164 4.470 -0.001 0.000 0.312 156 S C -0.623 173.825 174.600 -0.254 0.000 1.116 156 S CA -0.497 57.574 58.200 -0.215 0.000 1.078 156 S CB 0.660 63.785 63.200 -0.125 0.000 0.997 156 S HN 0.839 nan 8.310 nan 0.000 0.477 157 L N 5.220 126.312 121.223 -0.219 0.000 2.499 157 L HA 0.263 4.603 4.340 -0.001 0.000 0.281 157 L C 2.188 178.978 176.870 -0.133 0.000 1.234 157 L CA 0.554 55.257 54.840 -0.228 0.000 0.839 157 L CB 0.251 42.170 42.059 -0.233 0.000 1.104 157 L HN 0.802 nan 8.230 nan 0.000 0.500 158 R N 1.642 122.070 120.500 -0.119 0.000 2.127 158 R HA -0.183 4.157 4.340 -0.001 0.000 0.238 158 R C 0.535 176.840 176.300 0.010 0.000 1.134 158 R CA 1.990 58.064 56.100 -0.042 0.000 0.975 158 R CB -0.828 29.441 30.300 -0.052 0.000 0.865 158 R HN 0.847 nan 8.270 nan 0.000 0.447 159 N N 0.269 118.923 118.700 -0.076 0.000 2.378 159 N HA 0.058 4.798 4.740 -0.001 0.000 0.243 159 N C -0.771 174.615 175.510 -0.206 0.000 1.137 159 N CA -0.403 52.559 53.050 -0.145 0.000 0.862 159 N CB 0.760 39.113 38.487 -0.223 0.000 1.116 159 N HN 0.063 nan 8.380 nan 0.000 0.499 160 S N -0.742 114.952 115.700 -0.010 0.000 2.556 160 S HA 0.607 5.076 4.470 -0.001 0.000 0.271 160 S C -0.512 174.215 174.600 0.211 0.000 1.135 160 S CA -0.565 57.635 58.200 -0.001 0.000 0.858 160 S CB 1.631 64.801 63.200 -0.050 0.000 1.114 160 S HN 0.276 nan 8.310 nan 0.000 0.468 161 A N 2.204 125.168 122.820 0.239 0.000 2.387 161 A HA 0.411 4.730 4.320 -0.001 0.000 0.234 161 A C -0.212 177.426 177.584 0.090 0.000 1.253 161 A CA -0.074 52.094 52.037 0.217 0.000 0.894 161 A CB -0.128 19.040 19.000 0.280 0.000 0.963 161 A HN 0.727 nan 8.150 nan 0.000 0.508 162 D N -0.641 119.788 120.400 0.048 0.000 2.423 162 D HA 0.481 5.120 4.640 -0.001 0.000 0.235 162 D C -0.139 176.153 176.300 -0.013 0.000 1.011 162 D CA -0.332 53.677 54.000 0.016 0.000 0.963 162 D CB 0.970 41.776 40.800 0.011 0.000 1.349 162 D HN -0.023 nan 8.370 nan 0.000 0.508 163 M N 0.346 119.939 119.600 -0.010 0.000 2.494 163 M HA 0.358 4.837 4.480 -0.001 0.000 0.300 163 M C 0.055 176.345 176.300 -0.017 0.000 1.189 163 M CA -0.313 54.973 55.300 -0.023 0.000 0.982 163 M CB 1.401 34.002 32.600 0.001 0.000 1.534 163 M HN 0.508 nan 8.290 nan 0.000 0.488 164 Q N -0.535 119.255 119.800 -0.017 0.000 2.900 164 Q HA 0.335 4.674 4.340 -0.001 0.000 0.297 164 Q C -1.979 174.029 176.000 0.014 0.000 0.889 164 Q CA -0.979 54.822 55.803 -0.003 0.000 0.777 164 Q CB 0.704 29.433 28.738 -0.015 0.000 1.518 164 Q HN 0.426 nan 8.270 nan 0.000 0.430 165 D N 1.009 121.424 120.400 0.024 0.000 2.399 165 D HA 0.322 4.961 4.640 -0.001 0.000 0.241 165 D C -0.142 176.186 176.300 0.048 0.000 1.133 165 D CA 0.053 54.080 54.000 0.046 0.000 0.890 165 D CB 0.520 41.342 40.800 0.036 0.000 1.201 165 D HN 0.341 nan 8.370 nan 0.000 0.432 166 L N 1.040 122.314 121.223 0.086 0.000 2.475 166 L HA 0.393 4.732 4.340 -0.001 0.000 0.253 166 L C 0.789 177.697 176.870 0.064 0.000 1.198 166 L CA 0.398 55.297 54.840 0.098 0.000 0.814 166 L CB 0.520 42.682 42.059 0.172 0.000 1.134 166 L HN 0.638 nan 8.230 nan 0.000 0.478 167 S N -0.809 114.926 115.700 0.059 0.000 2.611 167 S HA 0.812 5.282 4.470 -0.001 0.000 0.270 167 S C -1.043 173.582 174.600 0.042 0.000 1.131 167 S CA -0.635 57.580 58.200 0.025 0.000 0.826 167 S CB 0.711 63.872 63.200 -0.064 0.000 1.095 167 S HN 0.815 nan 8.310 nan 0.000 0.461 168 A N 0.027 122.885 122.820 0.063 0.000 2.279 168 A HA 0.646 4.966 4.320 -0.001 0.000 0.303 168 A C 0.242 177.842 177.584 0.027 0.000 1.108 168 A CA -0.853 51.241 52.037 0.095 0.000 0.830 168 A CB -0.068 19.037 19.000 0.176 0.000 1.106 168 A HN 1.001 nan 8.150 nan 0.000 0.493 169 W N 0.642 121.965 121.300 0.038 0.000 2.392 169 W HA -0.168 4.492 4.660 -0.001 0.000 0.279 169 W C 2.474 178.978 176.519 -0.024 0.000 1.225 169 W CA 1.768 59.156 57.345 0.072 0.000 1.233 169 W CB 0.093 29.578 29.460 0.041 0.000 1.122 169 W HN 0.811 nan 8.180 nan 0.000 0.561 170 S N -0.589 115.204 115.700 0.154 0.000 2.561 170 S HA 0.281 4.750 4.470 -0.001 0.000 0.225 170 S C 0.877 175.486 174.600 0.016 0.000 0.977 170 S CA 0.447 58.685 58.200 0.063 0.000 0.926 170 S CB 0.039 63.240 63.200 0.002 0.000 0.769 170 S HN 0.092 nan 8.310 nan 0.000 0.533 171 A N 1.044 123.850 122.820 -0.022 0.000 3.411 171 A HA 0.602 4.921 4.320 -0.001 0.000 0.238 171 A C -2.127 175.348 177.584 -0.182 0.000 1.140 171 A CA -0.791 51.202 52.037 -0.075 0.000 0.980 171 A CB 0.249 19.230 19.000 -0.033 0.000 1.371 171 A HN 0.194 nan 8.150 nan 0.000 0.700 172 P HA -0.250 nan 4.420 nan 0.000 0.218 172 P C 1.885 178.900 177.300 -0.476 0.000 1.152 172 P CA 2.702 65.354 63.100 -0.747 0.000 0.857 172 P CB 0.093 31.106 31.700 -1.145 0.000 0.787 173 T N -4.943 109.440 114.554 -0.285 0.000 3.023 173 T HA -0.029 4.320 4.350 -0.001 0.000 0.266 173 T C 0.933 175.563 174.700 -0.117 0.000 1.093 173 T CA 0.417 62.410 62.100 -0.178 0.000 1.129 173 T CB -0.575 68.219 68.868 -0.123 0.000 0.899 173 T HN -0.006 nan 8.240 nan 0.000 0.491 174 Q N 2.545 122.284 119.800 -0.102 0.000 2.324 174 Q HA 0.280 4.620 4.340 -0.001 0.000 0.257 174 Q C -0.141 175.835 176.000 -0.039 0.000 1.080 174 Q CA 0.110 55.882 55.803 -0.053 0.000 0.907 174 Q CB 0.735 29.454 28.738 -0.032 0.000 1.274 174 Q HN 0.417 nan 8.270 nan 0.000 0.434 175 K N 1.011 121.396 120.400 -0.025 0.000 2.168 175 K HA 0.319 4.638 4.320 -0.001 0.000 0.258 175 K C 0.244 176.854 176.600 0.018 0.000 1.010 175 K CA -0.203 56.082 56.287 -0.004 0.000 0.929 175 K CB 1.134 33.634 32.500 -0.001 0.000 0.998 175 K HN 0.454 nan 8.250 nan 0.000 0.479 176 S N 0.008 115.729 115.700 0.036 0.000 2.599 176 S HA 0.238 4.708 4.470 -0.001 0.000 0.294 176 S C 0.031 174.668 174.600 0.061 0.000 1.094 176 S CA -0.710 57.518 58.200 0.048 0.000 0.931 176 S CB 1.085 64.320 63.200 0.059 0.000 1.093 176 S HN 0.446 nan 8.310 nan 0.000 0.488 177 D N 1.534 121.970 120.400 0.060 0.000 2.347 177 D HA 0.257 4.896 4.640 -0.001 0.000 0.213 177 D C 0.797 177.156 176.300 0.098 0.000 0.985 177 D CA 0.871 54.911 54.000 0.068 0.000 0.879 177 D CB 0.471 41.301 40.800 0.051 0.000 0.919 177 D HN 0.737 nan 8.370 nan 0.000 0.526 178 G N 0.150 109.020 108.800 0.116 0.000 2.316 178 G HA2 0.297 4.257 3.960 -0.001 0.000 0.296 178 G HA3 0.297 4.257 3.960 -0.001 0.000 0.296 178 G C -2.185 172.842 174.900 0.212 0.000 1.399 178 G CA -0.978 44.226 45.100 0.173 0.000 0.833 178 G HN 0.011 nan 8.290 nan 0.000 0.565 179 F N 1.042 121.051 119.950 0.098 0.000 2.493 179 F HA 0.716 5.242 4.527 -0.001 0.000 0.329 179 F C -0.412 175.444 175.800 0.092 0.000 1.126 179 F CA -1.013 57.035 58.000 0.080 0.000 0.937 179 F CB 1.577 40.657 39.000 0.134 0.000 1.146 179 F HN 0.503 nan 8.300 nan 0.000 0.442 180 N N 4.534 122.860 118.700 -0.623 0.000 2.404 180 N HA 0.678 5.417 4.740 -0.001 0.000 0.297 180 N C -1.848 173.258 175.510 -0.674 0.000 1.163 180 N CA -0.629 52.106 53.050 -0.524 0.000 0.864 180 N CB 1.937 40.240 38.487 -0.306 0.000 1.247 180 N HN 0.594 nan 8.380 nan 0.000 0.510 181 Y N -1.944 118.086 120.300 -0.449 0.000 2.604 181 Y HA 0.785 5.335 4.550 -0.001 0.000 0.331 181 Y C -2.033 173.848 175.900 -0.030 0.000 1.158 181 Y CA -1.450 56.531 58.100 -0.199 0.000 1.056 181 Y CB 0.786 39.222 38.460 -0.039 0.000 1.330 181 Y HN 0.615 nan 8.280 nan 0.000 0.457 182 A N 1.327 124.250 122.820 0.172 0.000 2.517 182 A HA 0.949 5.268 4.320 -0.001 0.000 0.297 182 A C -0.712 176.913 177.584 0.068 0.000 1.050 182 A CA -0.197 51.862 52.037 0.037 0.000 0.694 182 A CB 1.330 20.316 19.000 -0.024 0.000 1.277 182 A HN 1.983 nan 8.150 nan 0.000 0.400 183 G N -0.716 107.909 108.800 -0.291 0.000 2.645 183 G HA2 0.945 4.904 3.960 -0.001 0.000 0.292 183 G HA3 0.945 4.904 3.960 -0.001 0.000 0.292 183 G C -1.020 173.329 174.900 -0.917 0.000 1.415 183 G CA 0.158 44.644 45.100 -1.024 0.000 0.785 183 G HN 2.151 nan 8.290 nan 0.000 0.483 184 A N -0.209 122.016 122.820 -0.990 0.000 2.547 184 A HA 0.819 5.138 4.320 -0.001 0.000 0.297 184 A C -1.112 176.326 177.584 -0.243 0.000 1.056 184 A CA -0.580 51.192 52.037 -0.442 0.000 0.688 184 A CB 1.698 20.555 19.000 -0.238 0.000 1.282 184 A HN 0.573 nan 8.150 nan 0.000 0.400 185 E N 0.478 120.675 120.200 -0.005 0.000 2.272 185 E HA 0.437 4.787 4.350 -0.001 0.000 0.269 185 E C -2.118 174.623 176.600 0.234 0.000 0.877 185 E CA -0.579 55.923 56.400 0.171 0.000 0.755 185 E CB 2.711 32.572 29.700 0.269 0.000 1.192 185 E HN 0.558 nan 8.360 nan 0.000 0.422 186 Y N 2.959 123.328 120.300 0.115 0.000 2.363 186 Y HA 0.280 4.829 4.550 -0.001 0.000 0.325 186 Y C 0.524 176.594 175.900 0.284 0.000 0.984 186 Y CA -0.897 57.290 58.100 0.144 0.000 1.248 186 Y CB 0.784 39.286 38.460 0.069 0.000 1.116 186 Y HN 0.483 nan 8.280 nan 0.000 0.470 187 R N 5.512 125.966 120.500 -0.077 0.000 2.070 187 R HA 0.029 4.368 4.340 -0.001 0.000 0.227 187 R C 0.094 176.242 176.300 -0.253 0.000 1.147 187 R CA 1.830 57.862 56.100 -0.114 0.000 0.924 187 R CB -0.872 29.380 30.300 -0.080 0.000 0.827 187 R HN 0.762 nan 8.270 nan 0.000 0.431 188 F N -0.651 118.904 119.950 -0.658 0.000 1.378 188 F HA -0.332 4.194 4.527 -0.001 0.000 0.068 188 F C 0.369 176.050 175.800 -0.199 0.000 0.136 188 F CA 0.638 58.335 58.000 -0.506 0.000 0.287 188 F CB -1.179 37.378 39.000 -0.737 0.000 0.715 188 F HN 0.808 nan 8.300 nan 0.000 0.664 189 N N 0.746 119.301 118.700 -0.242 0.000 1.290 189 N HA -0.272 4.467 4.740 -0.001 0.000 0.157 189 N C -0.234 175.185 175.510 -0.151 0.000 0.880 189 N CA 1.168 54.056 53.050 -0.271 0.000 1.001 189 N CB -0.772 37.341 38.487 -0.624 0.000 1.277 189 N HN 0.862 nan 8.380 nan 0.000 0.532 190 R N 1.135 121.547 120.500 -0.147 0.000 2.935 190 R HA 0.184 4.523 4.340 -0.001 0.000 0.354 190 R C -0.227 176.006 176.300 -0.111 0.000 1.206 190 R CA 0.007 56.053 56.100 -0.090 0.000 1.082 190 R CB 0.050 30.317 30.300 -0.054 0.000 1.431 190 R HN 0.498 nan 8.270 nan 0.000 0.582 191 E N -1.010 119.096 120.200 -0.158 0.000 4.028 191 E HA -0.276 4.073 4.350 -0.001 0.000 0.343 191 E C 0.787 177.287 176.600 -0.167 0.000 0.700 191 E CA 0.966 57.280 56.400 -0.143 0.000 1.288 191 E CB -0.821 28.828 29.700 -0.084 0.000 1.677 191 E HN 0.469 nan 8.360 nan 0.000 0.424 192 R N 0.434 120.814 120.500 -0.200 0.000 2.090 192 R HA 0.022 4.362 4.340 -0.001 0.000 0.228 192 R C 1.044 177.219 176.300 -0.208 0.000 1.110 192 R CA 1.510 57.484 56.100 -0.209 0.000 0.973 192 R CB 0.044 30.247 30.300 -0.161 0.000 0.869 192 R HN 0.083 nan 8.270 nan 0.000 0.440 193 T N -0.282 114.094 114.554 -0.296 0.000 2.940 193 T HA 0.391 4.740 4.350 -0.001 0.000 0.288 193 T C -0.780 173.767 174.700 -0.255 0.000 1.045 193 T CA -0.690 61.262 62.100 -0.246 0.000 1.018 193 T CB 2.454 71.041 68.868 -0.469 0.000 1.151 193 T HN -0.025 nan 8.240 nan 0.000 0.529 194 Q N 0.804 120.628 119.800 0.040 0.000 2.541 194 Q HA 0.410 4.749 4.340 -0.001 0.000 0.259 194 Q C -2.209 173.949 176.000 0.265 0.000 0.974 194 Q CA -0.428 55.485 55.803 0.182 0.000 0.955 194 Q CB 1.399 30.199 28.738 0.102 0.000 1.517 194 Q HN 0.587 nan 8.270 nan 0.000 0.412 195 L N 1.396 122.811 121.223 0.319 0.000 2.330 195 L HA 0.962 5.302 4.340 -0.001 0.000 0.271 195 L C 0.266 177.243 176.870 0.179 0.000 1.013 195 L CA -0.866 54.103 54.840 0.215 0.000 0.816 195 L CB 2.194 44.370 42.059 0.195 0.000 1.287 195 L HN 0.756 nan 8.230 nan 0.000 0.435 196 G N 1.714 110.579 108.800 0.109 0.000 2.706 196 G HA2 0.734 4.693 3.960 -0.001 0.000 0.297 196 G HA3 0.734 4.693 3.960 -0.001 0.000 0.297 196 G C -1.707 173.211 174.900 0.030 0.000 1.403 196 G CA -0.388 44.803 45.100 0.150 0.000 0.954 196 G HN 0.380 nan 8.290 nan 0.000 0.500 197 L N 0.805 121.989 121.223 -0.066 0.000 2.482 197 L HA 0.531 4.871 4.340 -0.001 0.000 0.269 197 L C -1.575 175.120 176.870 -0.292 0.000 0.967 197 L CA -0.501 54.260 54.840 -0.132 0.000 0.851 197 L CB 2.165 44.153 42.059 -0.119 0.000 1.242 197 L HN 0.566 nan 8.230 nan 0.000 0.404 198 W N 2.194 123.368 121.300 -0.209 0.000 2.915 198 W HA 0.583 5.243 4.660 -0.001 0.000 0.337 198 W C -0.395 175.925 176.519 -0.331 0.000 1.102 198 W CA -0.355 56.926 57.345 -0.106 0.000 1.224 198 W CB 1.504 31.086 29.460 0.203 0.000 1.416 198 W HN 0.261 nan 8.180 nan 0.000 0.503 199 H N 1.196 120.526 119.070 0.433 0.000 2.782 199 H HA 0.665 5.221 4.556 -0.001 0.000 0.347 199 H C -0.076 175.418 175.328 0.277 0.000 1.038 199 H CA -0.849 55.384 56.048 0.308 0.000 1.255 199 H CB 1.795 31.659 29.762 0.170 0.000 1.623 199 H HN 0.644 nan 8.280 nan 0.000 0.525 200 G N 0.658 109.672 108.800 0.357 0.000 2.680 200 G HA2 0.475 4.435 3.960 -0.001 0.000 0.290 200 G HA3 0.475 4.435 3.960 -0.001 0.000 0.290 200 G C -1.472 173.444 174.900 0.027 0.000 1.355 200 G CA -0.680 44.489 45.100 0.115 0.000 0.903 200 G HN 0.479 nan 8.290 nan 0.000 0.474 201 Q N 0.191 119.830 119.800 -0.269 0.000 2.280 201 Q HA 0.335 4.674 4.340 -0.001 0.000 0.259 201 Q C -2.005 173.878 176.000 -0.195 0.000 0.964 201 Q CA -0.785 54.910 55.803 -0.181 0.000 0.844 201 Q CB 2.286 30.959 28.738 -0.109 0.000 1.334 201 Q HN 0.485 nan 8.270 nan 0.000 0.423 202 L N 4.674 125.736 121.223 -0.269 0.000 2.328 202 L HA 0.302 4.641 4.340 -0.001 0.000 0.280 202 L C -0.314 176.491 176.870 -0.109 0.000 1.111 202 L CA 0.322 55.080 54.840 -0.137 0.000 0.909 202 L CB 0.542 42.346 42.059 -0.425 0.000 1.277 202 L HN 0.585 nan 8.230 nan 0.000 0.433 203 E N 4.814 124.996 120.200 -0.030 0.000 2.900 203 E HA -0.157 4.193 4.350 -0.001 0.000 0.259 203 E C 0.020 176.622 176.600 0.004 0.000 0.918 203 E CA 1.072 57.465 56.400 -0.011 0.000 0.960 203 E CB 0.097 29.804 29.700 0.010 0.000 0.908 203 E HN 0.652 nan 8.360 nan 0.000 0.511 204 D N 0.801 121.207 120.400 0.009 0.000 3.046 204 D HA -0.192 4.447 4.640 -0.001 0.000 0.210 204 D C 0.553 176.877 176.300 0.039 0.000 1.124 204 D CA 1.049 55.063 54.000 0.024 0.000 0.986 204 D CB -1.068 39.747 40.800 0.024 0.000 1.118 204 D HN 0.289 nan 8.370 nan 0.000 0.416 205 V N -1.180 118.757 119.914 0.039 0.000 3.134 205 V HA 0.227 4.347 4.120 -0.001 0.000 0.222 205 V C 0.274 176.484 176.094 0.193 0.000 1.247 205 V CA 1.201 63.561 62.300 0.099 0.000 1.281 205 V CB 0.286 32.176 31.823 0.112 0.000 1.169 205 V HN 0.302 nan 8.190 nan 0.000 0.512 206 Y N 0.508 120.854 120.300 0.075 0.000 2.677 206 Y HA 0.779 5.329 4.550 -0.001 0.000 0.334 206 Y C -0.996 174.973 175.900 0.115 0.000 1.196 206 Y CA -1.922 56.225 58.100 0.080 0.000 1.059 206 Y CB 1.045 39.538 38.460 0.055 0.000 1.315 206 Y HN 0.300 nan 8.280 nan 0.000 0.455 207 R N 1.999 122.695 120.500 0.327 0.000 2.686 207 R HA 0.674 5.013 4.340 -0.001 0.000 0.283 207 R C -1.756 174.799 176.300 0.425 0.000 0.978 207 R CA -0.909 55.341 56.100 0.250 0.000 0.897 207 R CB 2.586 32.974 30.300 0.147 0.000 1.192 207 R HN 0.932 nan 8.270 nan 0.000 0.457 208 Q N 1.662 121.735 119.800 0.455 0.000 2.379 208 Q HA 0.521 4.860 4.340 -0.001 0.000 0.278 208 Q C -1.537 174.757 176.000 0.490 0.000 1.068 208 Q CA -0.878 55.212 55.803 0.479 0.000 0.816 208 Q CB 2.636 31.689 28.738 0.525 0.000 1.387 208 Q HN 0.615 nan 8.270 nan 0.000 0.413 209 S N 1.708 117.698 115.700 0.483 0.000 2.537 209 S HA 0.634 5.104 4.470 -0.001 0.000 0.301 209 S C -1.806 173.038 174.600 0.407 0.000 1.092 209 S CA -0.522 57.955 58.200 0.462 0.000 1.048 209 S CB 1.006 64.507 63.200 0.502 0.000 1.053 209 S HN 0.572 nan 8.310 nan 0.000 0.501 210 Y N 1.140 121.480 120.300 0.067 0.000 2.433 210 Y HA 0.630 5.179 4.550 -0.001 0.000 0.337 210 Y C -1.201 174.662 175.900 -0.063 0.000 1.026 210 Y CA -0.939 57.100 58.100 -0.102 0.000 1.037 210 Y CB 1.088 39.425 38.460 -0.206 0.000 1.245 210 Y HN 0.749 nan 8.280 nan 0.000 0.443 211 A N 5.182 127.678 122.820 -0.539 0.000 2.330 211 A HA 0.654 4.974 4.320 -0.001 0.000 0.313 211 A C -1.546 175.590 177.584 -0.747 0.000 1.124 211 A CA -0.672 51.083 52.037 -0.470 0.000 0.774 211 A CB 0.836 19.712 19.000 -0.208 0.000 1.198 211 A HN 0.809 nan 8.150 nan 0.000 0.465 212 N N 1.337 119.678 118.700 -0.597 0.000 2.225 212 N HA 0.640 5.380 4.740 -0.001 0.000 0.298 212 N C -1.572 173.859 175.510 -0.132 0.000 1.076 212 N CA -0.491 52.299 53.050 -0.434 0.000 0.792 212 N CB 1.715 39.945 38.487 -0.429 0.000 1.498 212 N HN 0.635 nan 8.380 nan 0.000 0.474 213 L N 3.295 124.472 121.223 -0.078 0.000 2.385 213 L HA 0.699 5.038 4.340 -0.001 0.000 0.273 213 L C -1.994 174.907 176.870 0.051 0.000 0.990 213 L CA -0.542 54.311 54.840 0.020 0.000 0.821 213 L CB 1.374 43.443 42.059 0.017 0.000 1.279 213 L HN 0.611 nan 8.230 nan 0.000 0.412 214 L N 4.652 125.933 121.223 0.097 0.000 2.386 214 L HA 0.601 4.940 4.340 -0.001 0.000 0.271 214 L C -1.462 175.486 176.870 0.131 0.000 0.993 214 L CA -0.759 54.138 54.840 0.095 0.000 0.819 214 L CB 2.012 44.120 42.059 0.082 0.000 1.294 214 L HN 0.771 nan 8.230 nan 0.000 0.414 215 H N 2.551 121.626 119.070 0.009 0.000 3.042 215 H HA 0.459 5.014 4.556 -0.001 0.000 0.345 215 H C -1.550 173.781 175.328 0.005 0.000 1.052 215 H CA -0.783 55.260 56.048 -0.008 0.000 1.311 215 H CB 1.877 31.645 29.762 0.011 0.000 1.810 215 H HN 0.489 nan 8.280 nan 0.000 0.505 216 K N 4.235 124.269 120.400 -0.611 0.000 2.541 216 K HA 0.416 4.735 4.320 -0.001 0.000 0.250 216 K C -1.603 174.702 176.600 -0.492 0.000 0.950 216 K CA -0.604 55.452 56.287 -0.385 0.000 0.805 216 K CB 1.424 33.817 32.500 -0.180 0.000 1.166 216 K HN 0.711 nan 8.250 nan 0.000 0.430 217 Q N 3.192 122.807 119.800 -0.309 0.000 2.377 217 Q HA 0.313 4.653 4.340 -0.001 0.000 0.279 217 Q C -1.660 174.328 176.000 -0.020 0.000 1.049 217 Q CA -1.005 54.705 55.803 -0.155 0.000 0.825 217 Q CB 2.061 30.772 28.738 -0.045 0.000 1.401 217 Q HN 0.643 nan 8.270 nan 0.000 0.404 218 R N 1.722 122.224 120.500 0.004 0.000 2.297 218 R HA 0.506 4.846 4.340 -0.001 0.000 0.308 218 R C -1.069 175.272 176.300 0.068 0.000 1.029 218 R CA -0.262 55.866 56.100 0.045 0.000 0.929 218 R CB 0.984 31.300 30.300 0.026 0.000 1.046 218 R HN 0.384 nan 8.270 nan 0.000 0.461 219 V N 2.928 122.906 119.914 0.107 0.000 2.380 219 V HA 0.723 4.843 4.120 -0.001 0.000 0.272 219 V C 0.384 176.562 176.094 0.139 0.000 1.011 219 V CA 0.237 62.598 62.300 0.102 0.000 0.826 219 V CB 0.335 32.211 31.823 0.087 0.000 1.040 219 V HN 1.106 nan 8.190 nan 0.000 0.441 220 G N 4.173 113.036 108.800 0.105 0.000 2.669 220 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.250 220 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.250 220 G C 0.253 175.209 174.900 0.093 0.000 1.247 220 G CA 0.578 45.744 45.100 0.110 0.000 0.958 220 G HN 0.616 nan 8.290 nan 0.000 0.559 221 D N 0.223 120.691 120.400 0.113 0.000 2.346 221 D HA 0.163 4.803 4.640 -0.001 0.000 0.206 221 D C 0.560 176.791 176.300 -0.114 0.000 1.001 221 D CA 0.448 54.419 54.000 -0.049 0.000 0.871 221 D CB 0.267 40.968 40.800 -0.166 0.000 0.943 221 D HN 0.332 nan 8.370 nan 0.000 0.518 222 W N 1.286 122.600 121.300 0.024 0.000 2.436 222 W HA 0.337 4.996 4.660 -0.001 0.000 0.347 222 W C 0.248 176.774 176.519 0.011 0.000 1.136 222 W CA -0.432 56.930 57.345 0.029 0.000 1.286 222 W CB 0.752 30.234 29.460 0.036 0.000 1.253 222 W HN -0.444 nan 8.180 nan 0.000 0.617 223 T N 3.579 118.298 114.554 0.274 0.000 2.809 223 T HA 0.480 4.830 4.350 -0.001 0.000 0.296 223 T C -0.498 174.287 174.700 0.143 0.000 1.015 223 T CA -0.621 61.560 62.100 0.134 0.000 0.954 223 T CB -0.020 68.881 68.868 0.055 0.000 0.950 223 T HN 0.066 nan 8.240 nan 0.000 0.450 224 L N 3.118 124.404 121.223 0.105 0.000 2.272 224 L HA 0.753 5.093 4.340 -0.001 0.000 0.289 224 L C 0.791 177.694 176.870 0.055 0.000 1.032 224 L CA -0.727 54.165 54.840 0.088 0.000 0.810 224 L CB 1.278 43.387 42.059 0.082 0.000 1.205 224 L HN 0.693 nan 8.230 nan 0.000 0.422 225 G N 2.028 110.866 108.800 0.063 0.000 2.498 225 G HA2 0.828 4.788 3.960 -0.001 0.000 0.312 225 G HA3 0.828 4.788 3.960 -0.001 0.000 0.312 225 G C -1.572 173.399 174.900 0.117 0.000 1.230 225 G CA -0.546 44.582 45.100 0.048 0.000 0.968 225 G HN 0.733 nan 8.290 nan 0.000 0.481 226 A N 0.918 123.790 122.820 0.086 0.000 2.459 226 A HA 0.684 5.004 4.320 -0.001 0.000 0.296 226 A C -1.151 176.406 177.584 -0.046 0.000 1.039 226 A CA -0.755 51.282 52.037 0.000 0.000 0.698 226 A CB 1.891 21.002 19.000 0.185 0.000 1.261 226 A HN 0.636 nan 8.150 nan 0.000 0.405 227 N N 2.730 121.339 118.700 -0.151 0.000 2.626 227 N HA 0.446 5.185 4.740 -0.001 0.000 0.249 227 N C -1.884 173.579 175.510 -0.077 0.000 1.021 227 N CA -0.310 52.737 53.050 -0.005 0.000 0.886 227 N CB 0.676 39.238 38.487 0.124 0.000 1.149 227 N HN 0.405 nan 8.380 nan 0.000 0.517 228 L N 2.019 123.150 121.223 -0.154 0.000 2.272 228 L HA 0.699 5.039 4.340 -0.001 0.000 0.289 228 L C 1.015 177.583 176.870 -0.503 0.000 1.032 228 L CA -0.630 54.011 54.840 -0.331 0.000 0.810 228 L CB 1.452 43.409 42.059 -0.170 0.000 1.205 228 L HN 0.515 nan 8.230 nan 0.000 0.422 229 G N 2.691 110.818 108.800 -1.123 0.000 2.563 229 G HA2 0.708 4.668 3.960 -0.001 0.000 0.302 229 G HA3 0.708 4.668 3.960 -0.001 0.000 0.302 229 G C -2.112 172.478 174.900 -0.517 0.000 1.301 229 G CA -0.470 44.114 45.100 -0.861 0.000 0.965 229 G HN 0.434 nan 8.290 nan 0.000 0.480 230 L N 0.459 121.522 121.223 -0.267 0.000 2.438 230 L HA 0.845 5.184 4.340 -0.001 0.000 0.270 230 L C -1.864 175.064 176.870 0.097 0.000 0.972 230 L CA -0.917 53.917 54.840 -0.010 0.000 0.831 230 L CB 1.470 43.513 42.059 -0.027 0.000 1.273 230 L HN 0.394 nan 8.230 nan 0.000 0.405 231 F N 3.863 124.052 119.950 0.398 0.000 2.538 231 F HA 0.836 5.362 4.527 -0.001 0.000 0.325 231 F C -0.277 175.740 175.800 0.363 0.000 1.066 231 F CA -0.686 57.589 58.000 0.459 0.000 0.946 231 F CB 2.420 41.748 39.000 0.547 0.000 1.199 231 F HN 0.182 nan 8.300 nan 0.000 0.473 232 V N 2.041 122.284 119.914 0.549 0.000 2.668 232 V HA 0.352 4.472 4.120 -0.001 0.000 0.304 232 V C -1.416 174.893 176.094 0.358 0.000 1.071 232 V CA -0.917 61.621 62.300 0.396 0.000 0.894 232 V CB 2.001 34.005 31.823 0.302 0.000 1.008 232 V HN 0.615 nan 8.190 nan 0.000 0.425 233 D N 4.279 124.845 120.400 0.276 0.000 2.502 233 D HA 0.572 5.211 4.640 -0.001 0.000 0.249 233 D C -0.489 175.915 176.300 0.174 0.000 1.092 233 D CA -0.559 53.561 54.000 0.200 0.000 0.839 233 D CB 2.576 43.406 40.800 0.051 0.000 1.264 233 D HN 0.328 nan 8.370 nan 0.000 0.511 234 R N 1.239 121.860 120.500 0.201 0.000 2.750 234 R HA 0.283 4.622 4.340 -0.001 0.000 0.281 234 R C -0.764 175.647 176.300 0.186 0.000 0.972 234 R CA -0.835 55.365 56.100 0.167 0.000 0.912 234 R CB 1.984 32.376 30.300 0.153 0.000 1.187 234 R HN 0.489 nan 8.270 nan 0.000 0.464 235 D N -0.116 120.369 120.400 0.143 0.000 2.357 235 D HA 0.149 4.789 4.640 -0.001 0.000 0.242 235 D C -0.638 175.738 176.300 0.126 0.000 1.153 235 D CA -0.244 53.844 54.000 0.148 0.000 0.918 235 D CB 0.742 41.603 40.800 0.103 0.000 1.181 235 D HN 0.273 nan 8.370 nan 0.000 0.435 236 D N -0.897 119.571 120.400 0.114 0.000 2.433 236 D HA 0.500 5.139 4.640 -0.001 0.000 0.236 236 D C 1.182 177.514 176.300 0.052 0.000 1.026 236 D CA 0.100 54.145 54.000 0.074 0.000 0.884 236 D CB 1.581 42.413 40.800 0.052 0.000 1.384 236 D HN 0.533 nan 8.370 nan 0.000 0.477 237 G N 1.922 110.745 108.800 0.039 0.000 2.700 237 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.350 237 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.350 237 G C 1.264 176.183 174.900 0.031 0.000 1.250 237 G CA 1.301 46.419 45.100 0.030 0.000 0.978 237 G HN 1.043 nan 8.290 nan 0.000 0.551 238 A N 0.611 123.448 122.820 0.028 0.000 2.225 238 A HA 0.491 4.811 4.320 -0.001 0.000 0.215 238 A C 2.305 179.908 177.584 0.031 0.000 1.164 238 A CA 2.082 54.134 52.037 0.026 0.000 0.710 238 A CB -0.964 18.048 19.000 0.021 0.000 0.780 238 A HN 2.664 nan 8.150 nan 0.000 0.473 239 A N -0.843 122.002 122.820 0.041 0.000 2.704 239 A HA -0.275 4.045 4.320 -0.001 0.000 0.299 239 A C 1.265 178.874 177.584 0.042 0.000 1.507 239 A CA 1.266 53.333 52.037 0.050 0.000 0.776 239 A CB -2.007 17.021 19.000 0.046 0.000 1.027 239 A HN 0.694 nan 8.150 nan 0.000 0.475 240 R N -0.826 119.698 120.500 0.039 0.000 2.249 240 R HA -0.040 4.299 4.340 -0.001 0.000 0.230 240 R C 1.730 178.047 176.300 0.027 0.000 1.121 240 R CA 1.341 57.458 56.100 0.028 0.000 0.997 240 R CB -0.144 30.170 30.300 0.023 0.000 0.867 240 R HN 1.008 nan 8.270 nan 0.000 0.465 241 A N 0.410 123.256 122.820 0.043 0.000 2.535 241 A HA 0.435 4.755 4.320 -0.001 0.000 0.273 241 A C 0.547 178.150 177.584 0.031 0.000 1.267 241 A CA 0.263 52.321 52.037 0.036 0.000 0.940 241 A CB 0.284 19.318 19.000 0.057 0.000 1.101 241 A HN 0.343 nan 8.150 nan 0.000 0.521 242 G N -0.140 108.680 108.800 0.032 0.000 2.795 242 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.664 242 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.664 242 G C -0.578 174.344 174.900 0.037 0.000 1.381 242 G CA -0.446 44.671 45.100 0.028 0.000 0.853 242 G HN 0.538 nan 8.290 nan 0.000 0.545 243 E N -0.762 119.458 120.200 0.034 0.000 2.529 243 E HA 0.302 4.652 4.350 -0.001 0.000 0.259 243 E C 0.328 176.953 176.600 0.042 0.000 0.966 243 E CA 0.660 57.084 56.400 0.040 0.000 0.937 243 E CB 0.534 30.255 29.700 0.035 0.000 0.923 243 E HN 0.466 nan 8.360 nan 0.000 0.468 244 I N 3.025 123.629 120.570 0.056 0.000 2.503 244 I HA 0.189 4.359 4.170 -0.001 0.000 0.282 244 I C -0.993 175.167 176.117 0.073 0.000 1.059 244 I CA -0.557 60.776 61.300 0.054 0.000 1.081 244 I CB 1.577 39.612 38.000 0.058 0.000 1.210 244 I HN 0.420 nan 8.210 nan 0.000 0.450 245 D N 4.981 125.423 120.400 0.070 0.000 2.575 245 D HA 0.600 5.239 4.640 -0.001 0.000 0.250 245 D C -1.066 175.295 176.300 0.102 0.000 1.279 245 D CA 0.025 54.083 54.000 0.097 0.000 0.925 245 D CB 1.657 42.511 40.800 0.090 0.000 1.261 245 D HN 0.531 nan 8.370 nan 0.000 0.567 246 S N 2.724 118.507 115.700 0.139 0.000 2.586 246 S HA 0.522 4.992 4.470 -0.001 0.000 0.277 246 S C -1.612 173.123 174.600 0.225 0.000 1.131 246 S CA -0.989 57.285 58.200 0.123 0.000 0.848 246 S CB 1.320 64.549 63.200 0.047 0.000 1.091 246 S HN 0.485 nan 8.310 nan 0.000 0.453 247 H N -0.008 119.164 119.070 0.170 0.000 2.768 247 H HA 0.784 5.339 4.556 -0.001 0.000 0.371 247 H C -1.424 174.048 175.328 0.239 0.000 1.151 247 H CA -0.748 55.433 56.048 0.221 0.000 1.165 247 H CB 1.666 31.536 29.762 0.180 0.000 1.722 247 H HN 0.661 nan 8.280 nan 0.000 0.543 248 T N 2.584 117.386 114.554 0.413 0.000 2.861 248 T HA 0.461 4.810 4.350 -0.001 0.000 0.287 248 T C -0.167 174.774 174.700 0.401 0.000 1.003 248 T CA -0.710 61.595 62.100 0.342 0.000 0.977 248 T CB 1.540 70.593 68.868 0.308 0.000 0.996 248 T HN 0.675 nan 8.240 nan 0.000 0.448 249 V N 1.365 121.460 119.914 0.302 0.000 2.789 249 V HA 0.965 5.085 4.120 -0.001 0.000 0.311 249 V C -1.522 174.709 176.094 0.228 0.000 1.073 249 V CA -1.230 61.198 62.300 0.214 0.000 0.921 249 V CB 1.338 33.259 31.823 0.165 0.000 1.009 249 V HN 0.961 nan 8.190 nan 0.000 0.426 250 Y N 0.955 121.327 120.300 0.119 0.000 2.597 250 Y HA 0.979 5.528 4.550 -0.001 0.000 0.340 250 Y C -0.291 175.630 175.900 0.035 0.000 1.097 250 Y CA -0.908 57.238 58.100 0.076 0.000 1.037 250 Y CB 1.822 40.311 38.460 0.048 0.000 1.305 250 Y HN 1.116 nan 8.280 nan 0.000 0.463 251 G N 2.558 111.458 108.800 0.166 0.000 2.782 251 G HA2 0.493 4.452 3.960 -0.001 0.000 0.280 251 G HA3 0.493 4.452 3.960 -0.001 0.000 0.280 251 G C -2.541 172.194 174.900 -0.275 0.000 1.526 251 G CA -0.629 44.392 45.100 -0.131 0.000 1.083 251 G HN 0.703 nan 8.290 nan 0.000 0.552 252 L N 2.801 123.838 121.223 -0.309 0.000 2.264 252 L HA 0.806 5.146 4.340 -0.001 0.000 0.289 252 L C -1.313 175.266 176.870 -0.484 0.000 1.044 252 L CA -1.203 53.533 54.840 -0.172 0.000 0.807 252 L CB 0.305 42.390 42.059 0.044 0.000 1.192 252 L HN 0.327 nan 8.230 nan 0.000 0.425 253 F N 3.114 123.176 119.950 0.187 0.000 2.482 253 F HA 0.643 5.169 4.527 -0.001 0.000 0.331 253 F C 0.399 176.255 175.800 0.094 0.000 1.115 253 F CA -0.545 57.529 58.000 0.124 0.000 0.955 253 F CB 2.026 41.077 39.000 0.085 0.000 1.136 253 F HN 0.528 nan 8.300 nan 0.000 0.452 254 S N 1.650 117.428 115.700 0.130 0.000 2.568 254 S HA 0.941 5.411 4.470 -0.001 0.000 0.302 254 S C -0.877 173.720 174.600 -0.005 0.000 1.082 254 S CA -0.796 57.324 58.200 -0.133 0.000 1.009 254 S CB 1.967 64.935 63.200 -0.386 0.000 1.069 254 S HN 0.972 nan 8.310 nan 0.000 0.500 255 A N 1.458 124.296 122.820 0.030 0.000 2.457 255 A HA 0.783 5.103 4.320 -0.001 0.000 0.283 255 A C 0.009 177.840 177.584 0.412 0.000 1.166 255 A CA -0.435 51.740 52.037 0.229 0.000 0.740 255 A CB 0.647 19.748 19.000 0.168 0.000 1.181 255 A HN 1.374 nan 8.150 nan 0.000 0.446 256 G N 0.699 109.717 108.800 0.362 0.000 2.452 256 G HA2 0.650 4.609 3.960 -0.001 0.000 0.324 256 G HA3 0.650 4.609 3.960 -0.001 0.000 0.324 256 G C -1.003 173.996 174.900 0.165 0.000 1.214 256 G CA -0.569 44.670 45.100 0.232 0.000 0.947 256 G HN 1.065 nan 8.290 nan 0.000 0.478 257 I N 1.854 122.380 120.570 -0.073 0.000 2.611 257 I HA 0.514 4.684 4.170 -0.001 0.000 0.287 257 I C 0.801 176.801 176.117 -0.194 0.000 1.184 257 I CA 0.587 61.653 61.300 -0.390 0.000 1.054 257 I CB 1.152 38.443 38.000 -1.182 0.000 1.257 257 I HN 1.203 nan 8.210 nan 0.000 0.435 258 G N 6.333 115.023 108.800 -0.182 0.000 2.629 258 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.313 258 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.313 258 G C 0.457 175.236 174.900 -0.202 0.000 1.217 258 G CA 0.632 45.639 45.100 -0.154 0.000 0.994 258 G HN 0.664 nan 8.290 nan 0.000 0.549 259 L N 2.076 123.113 121.223 -0.310 0.000 2.611 259 L HA 0.309 4.649 4.340 -0.001 0.000 0.229 259 L C 0.662 177.191 176.870 -0.568 0.000 1.137 259 L CA -0.245 54.301 54.840 -0.489 0.000 0.901 259 L CB -0.264 41.402 42.059 -0.655 0.000 1.098 259 L HN 0.366 nan 8.230 nan 0.000 0.456 260 H N 0.095 119.099 119.070 -0.109 0.000 2.499 260 H HA 0.544 5.099 4.556 -0.001 0.000 0.340 260 H C -0.519 174.677 175.328 -0.219 0.000 1.148 260 H CA -0.260 55.704 56.048 -0.140 0.000 1.215 260 H CB 2.034 31.818 29.762 0.037 0.000 1.529 260 H HN -0.147 nan 8.280 nan 0.000 0.510 261 T N 3.316 117.695 114.554 -0.291 0.000 2.991 261 T HA 0.367 4.716 4.350 -0.001 0.000 0.303 261 T C -0.725 173.802 174.700 -0.288 0.000 1.015 261 T CA -0.607 61.373 62.100 -0.199 0.000 1.007 261 T CB 0.718 69.508 68.868 -0.131 0.000 1.034 261 T HN 0.208 nan 8.240 nan 0.000 0.446 262 F N 1.932 121.965 119.950 0.139 0.000 2.492 262 F HA 0.744 5.271 4.527 -0.001 0.000 0.327 262 F C -0.658 175.191 175.800 0.080 0.000 1.079 262 F CA -0.904 57.250 58.000 0.255 0.000 0.967 262 F CB 1.495 40.652 39.000 0.262 0.000 1.169 262 F HN 0.470 nan 8.300 nan 0.000 0.472 263 Y N 2.290 122.810 120.300 0.368 0.000 2.457 263 Y HA 0.632 5.181 4.550 -0.001 0.000 0.343 263 Y C -1.135 174.927 175.900 0.270 0.000 0.994 263 Y CA -1.175 57.085 58.100 0.267 0.000 1.031 263 Y CB 2.006 40.571 38.460 0.175 0.000 1.246 263 Y HN 0.422 nan 8.280 nan 0.000 0.449 264 L N 2.219 123.703 121.223 0.435 0.000 2.385 264 L HA 1.002 5.341 4.340 -0.001 0.000 0.273 264 L C -0.539 176.576 176.870 0.408 0.000 0.990 264 L CA -0.279 54.787 54.840 0.376 0.000 0.821 264 L CB 1.993 44.228 42.059 0.293 0.000 1.279 264 L HN 0.704 nan 8.230 nan 0.000 0.412 265 G N 4.803 113.805 108.800 0.338 0.000 2.666 265 G HA2 0.643 4.603 3.960 -0.001 0.000 0.303 265 G HA3 0.643 4.603 3.960 -0.001 0.000 0.303 265 G C -2.056 173.012 174.900 0.280 0.000 1.412 265 G CA -0.403 44.863 45.100 0.277 0.000 0.979 265 G HN 0.436 nan 8.290 nan 0.000 0.507 266 L N 1.401 122.799 121.223 0.291 0.000 2.376 266 L HA 0.626 4.965 4.340 -0.001 0.000 0.275 266 L C -0.089 176.912 176.870 0.219 0.000 0.987 266 L CA -0.537 54.458 54.840 0.259 0.000 0.828 266 L CB 2.119 44.339 42.059 0.268 0.000 1.249 266 L HN 0.656 nan 8.230 nan 0.000 0.409 267 Q N 2.557 122.456 119.800 0.165 0.000 2.379 267 Q HA 0.728 5.067 4.340 -0.001 0.000 0.278 267 Q C -1.551 174.524 176.000 0.125 0.000 1.068 267 Q CA -0.991 54.904 55.803 0.154 0.000 0.816 267 Q CB 2.750 31.552 28.738 0.107 0.000 1.387 267 Q HN 0.415 nan 8.270 nan 0.000 0.413 268 K N 1.736 122.217 120.400 0.135 0.000 2.535 268 K HA 0.495 4.814 4.320 -0.001 0.000 0.251 268 K C -2.175 174.478 176.600 0.089 0.000 0.942 268 K CA -0.461 55.892 56.287 0.110 0.000 0.798 268 K CB 2.131 34.707 32.500 0.125 0.000 1.267 268 K HN 0.355 nan 8.250 nan 0.000 0.434 269 V N 3.242 123.176 119.914 0.034 0.000 2.398 269 V HA 0.828 4.947 4.120 -0.001 0.000 0.286 269 V C 0.392 176.395 176.094 -0.153 0.000 1.026 269 V CA -0.261 62.021 62.300 -0.029 0.000 0.868 269 V CB 1.368 33.191 31.823 -0.001 0.000 0.982 269 V HN 0.867 nan 8.190 nan 0.000 0.443 270 G N 1.951 110.467 108.800 -0.474 0.000 2.533 270 G HA2 0.854 4.814 3.960 -0.001 0.000 0.304 270 G HA3 0.854 4.814 3.960 -0.001 0.000 0.304 270 G C -0.203 174.371 174.900 -0.543 0.000 1.263 270 G CA -0.146 44.557 45.100 -0.662 0.000 0.964 270 G HN 1.406 nan 8.290 nan 0.000 0.479 271 G N 0.617 109.326 108.800 -0.151 0.000 2.373 271 G HA2 0.241 4.200 3.960 -0.001 0.000 0.634 271 G HA3 0.241 4.200 3.960 -0.001 0.000 0.634 271 G C 0.233 175.141 174.900 0.013 0.000 1.267 271 G CA 0.709 45.818 45.100 0.015 0.000 1.008 271 G HN 1.113 nan 8.290 nan 0.000 0.497 272 D N -0.765 119.655 120.400 0.033 0.000 2.305 272 D HA 0.248 4.887 4.640 -0.001 0.000 0.206 272 D C 1.571 177.875 176.300 0.005 0.000 0.974 272 D CA 1.601 55.614 54.000 0.021 0.000 0.871 272 D CB 0.016 40.835 40.800 0.032 0.000 0.947 272 D HN 0.941 nan 8.370 nan 0.000 0.516 273 S N -1.275 114.428 115.700 0.005 0.000 2.806 273 S HA 0.778 5.248 4.470 -0.001 0.000 0.315 273 S C 0.571 175.163 174.600 -0.014 0.000 1.127 273 S CA -0.681 57.514 58.200 -0.008 0.000 0.918 273 S CB 1.207 64.404 63.200 -0.005 0.000 1.240 273 S HN 0.239 nan 8.310 nan 0.000 0.552 274 G N -0.928 107.860 108.800 -0.020 0.000 2.537 274 G HA2 0.435 4.394 3.960 -0.001 0.000 0.297 274 G HA3 0.435 4.394 3.960 -0.001 0.000 0.297 274 G C -1.116 173.798 174.900 0.024 0.000 1.310 274 G CA -1.079 44.024 45.100 0.005 0.000 1.027 274 G HN 0.744 nan 8.290 nan 0.000 0.505 275 W N 0.545 121.764 121.300 -0.135 0.000 2.210 275 W HA 0.394 5.053 4.660 -0.001 0.000 0.330 275 W C 0.117 176.486 176.519 -0.250 0.000 1.334 275 W CA -0.271 56.959 57.345 -0.191 0.000 1.227 275 W CB 0.640 29.962 29.460 -0.230 0.000 1.178 275 W HN 0.285 nan 8.180 nan 0.000 0.560 276 Q N 3.408 122.565 119.800 -1.071 0.000 2.180 276 Q HA 0.639 4.979 4.340 -0.001 0.000 0.241 276 Q C -0.464 174.554 176.000 -1.636 0.000 0.970 276 Q CA -0.356 54.694 55.803 -1.255 0.000 0.919 276 Q CB 1.573 29.439 28.738 -1.454 0.000 1.222 276 Q HN 0.616 nan 8.270 nan 0.000 0.482 277 S N -2.430 112.666 115.700 -1.008 0.000 2.727 277 S HA 0.189 4.658 4.470 -0.001 0.000 0.275 277 S C -1.101 173.476 174.600 -0.038 0.000 0.995 277 S CA -0.977 56.910 58.200 -0.522 0.000 0.893 277 S CB -0.125 62.584 63.200 -0.818 0.000 1.135 277 S HN 0.187 nan 8.310 nan 0.000 0.460 278 V N 2.900 122.813 119.914 -0.002 0.000 2.470 278 V HA 0.240 4.359 4.120 -0.001 0.000 0.276 278 V C 0.266 176.302 176.094 -0.096 0.000 1.040 278 V CA -0.211 62.091 62.300 0.003 0.000 1.008 278 V CB -0.319 31.454 31.823 -0.083 0.000 0.990 278 V HN 0.843 nan 8.190 nan 0.000 0.477 279 Y N 4.920 124.932 120.300 -0.481 0.000 2.805 279 Y HA 0.331 4.881 4.550 -0.001 0.000 0.331 279 Y C 1.288 176.733 175.900 -0.758 0.000 1.241 279 Y CA 1.304 58.705 58.100 -1.164 0.000 1.546 279 Y CB 0.138 38.130 38.460 -0.780 0.000 1.248 279 Y HN 0.926 nan 8.280 nan 0.000 0.559 280 G N 2.826 110.848 108.800 -1.296 0.000 2.308 280 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.221 280 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.221 280 G C 0.374 175.254 174.900 -0.033 0.000 1.032 280 G CA 0.147 44.879 45.100 -0.613 0.000 0.623 280 G HN 1.252 nan 8.290 nan 0.000 0.506 281 S N 0.282 116.058 115.700 0.128 0.000 2.596 281 S HA 0.606 5.075 4.470 -0.001 0.000 0.260 281 S C 0.501 175.262 174.600 0.268 0.000 1.336 281 S CA 0.817 59.149 58.200 0.220 0.000 0.993 281 S CB 1.686 64.984 63.200 0.165 0.000 0.923 281 S HN 1.616 nan 8.310 nan 0.000 0.567 282 S N -0.276 115.498 115.700 0.123 0.000 2.585 282 S HA 0.545 5.014 4.470 -0.001 0.000 0.277 282 S C 1.102 175.746 174.600 0.073 0.000 1.241 282 S CA -0.299 57.936 58.200 0.058 0.000 1.041 282 S CB 0.569 63.744 63.200 -0.042 0.000 0.987 282 S HN 1.009 nan 8.310 nan 0.000 0.512 283 G N 2.922 111.732 108.800 0.017 0.000 2.985 283 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.209 283 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.209 283 G C 1.309 176.126 174.900 -0.137 0.000 1.165 283 G CA -0.132 44.956 45.100 -0.019 0.000 0.776 283 G HN 0.815 nan 8.290 nan 0.000 0.541 284 R N 0.587 121.028 120.500 -0.098 0.000 2.294 284 R HA -0.126 4.213 4.340 -0.001 0.000 0.250 284 R C 1.730 177.943 176.300 -0.144 0.000 1.181 284 R CA 1.709 57.737 56.100 -0.120 0.000 1.016 284 R CB -0.485 29.757 30.300 -0.098 0.000 0.869 284 R HN 0.252 nan 8.270 nan 0.000 0.476 285 S N -0.075 115.545 115.700 -0.133 0.000 2.496 285 S HA 0.025 4.495 4.470 -0.001 0.000 0.224 285 S C 0.701 175.149 174.600 -0.253 0.000 0.996 285 S CA -0.115 58.014 58.200 -0.118 0.000 0.927 285 S CB -0.087 63.102 63.200 -0.017 0.000 0.774 285 S HN 0.352 nan 8.310 nan 0.000 0.524 286 M N 0.883 120.217 119.600 -0.443 0.000 2.180 286 M HA 0.471 4.950 4.480 -0.001 0.000 0.358 286 M C 1.256 177.133 176.300 -0.704 0.000 1.233 286 M CA -0.292 54.594 55.300 -0.689 0.000 1.114 286 M CB 0.888 32.996 32.600 -0.819 0.000 1.594 286 M HN 0.075 nan 8.290 nan 0.000 0.467 287 G N 3.332 111.427 108.800 -1.174 0.000 2.649 287 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.220 287 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.220 287 G C 0.876 175.615 174.900 -0.269 0.000 1.189 287 G CA 0.967 45.655 45.100 -0.687 0.000 0.777 287 G HN 0.775 nan 8.290 nan 0.000 0.602 288 N N 1.287 119.873 118.700 -0.191 0.000 2.327 288 N HA 0.107 4.846 4.740 -0.001 0.000 0.231 288 N C -0.466 175.027 175.510 -0.028 0.000 1.130 288 N CA -0.105 52.895 53.050 -0.083 0.000 0.845 288 N CB 0.249 38.689 38.487 -0.078 0.000 1.073 288 N HN 0.408 nan 8.380 nan 0.000 0.496 289 D N 0.632 120.944 120.400 -0.146 0.000 2.425 289 D HA 0.110 4.749 4.640 -0.001 0.000 0.247 289 D C 0.067 176.299 176.300 -0.113 0.000 1.147 289 D CA 0.455 54.367 54.000 -0.147 0.000 0.879 289 D CB 0.686 41.361 40.800 -0.207 0.000 1.179 289 D HN 0.005 nan 8.370 nan 0.000 0.456 290 M N 3.060 122.601 119.600 -0.099 0.000 2.775 290 M HA 0.264 4.744 4.480 -0.001 0.000 0.296 290 M C 0.930 177.212 176.300 -0.030 0.000 1.248 290 M CA -1.051 54.174 55.300 -0.125 0.000 0.800 290 M CB 1.123 33.660 32.600 -0.105 0.000 1.765 290 M HN 0.421 nan 8.290 nan 0.000 0.472 291 F N 1.053 120.951 119.950 -0.087 0.000 2.050 291 F HA -0.335 4.192 4.527 -0.001 0.000 0.294 291 F C 1.528 177.282 175.800 -0.077 0.000 1.113 291 F CA 1.200 59.158 58.000 -0.071 0.000 1.225 291 F CB -0.304 38.655 39.000 -0.069 0.000 0.953 291 F HN 0.588 nan 8.300 nan 0.000 0.501 292 N N 0.526 119.297 118.700 0.118 0.000 2.451 292 N HA 0.319 5.059 4.740 -0.001 0.000 0.264 292 N C -0.002 175.442 175.510 -0.109 0.000 1.167 292 N CA 0.821 53.886 53.050 0.025 0.000 0.898 292 N CB 0.829 39.372 38.487 0.094 0.000 1.176 292 N HN 0.406 nan 8.380 nan 0.000 0.507 293 G N 0.644 109.345 108.800 -0.165 0.000 2.326 293 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.413 293 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.413 293 G C -1.109 173.591 174.900 -0.333 0.000 1.444 293 G CA -0.983 43.948 45.100 -0.282 0.000 1.002 293 G HN 0.315 nan 8.290 nan 0.000 0.649 294 N N -1.179 117.318 118.700 -0.337 0.000 2.867 294 N HA 0.813 5.552 4.740 -0.001 0.000 0.326 294 N C -0.572 174.718 175.510 -0.366 0.000 1.355 294 N CA -0.859 52.050 53.050 -0.235 0.000 0.830 294 N CB 0.537 38.863 38.487 -0.268 0.000 1.152 294 N HN 0.367 nan 8.380 nan 0.000 0.569 295 F N -0.804 119.031 119.950 -0.191 0.000 2.584 295 F HA 0.332 4.858 4.527 -0.001 0.000 0.328 295 F C 0.292 176.018 175.800 -0.124 0.000 1.407 295 F CA -0.844 57.075 58.000 -0.134 0.000 1.145 295 F CB 0.558 39.481 39.000 -0.128 0.000 1.440 295 F HN 0.597 nan 8.300 nan 0.000 0.580 296 T N -3.531 111.014 114.554 -0.015 0.000 3.248 296 T HA 0.278 4.627 4.350 -0.001 0.000 0.271 296 T C 0.439 175.153 174.700 0.024 0.000 1.005 296 T CA -0.405 61.698 62.100 0.005 0.000 0.902 296 T CB -0.657 68.221 68.868 0.016 0.000 1.102 296 T HN 0.126 nan 8.240 nan 0.000 0.548 297 N N 1.658 120.341 118.700 -0.029 0.000 2.235 297 N HA 0.484 5.223 4.740 -0.001 0.000 0.231 297 N C 0.293 175.767 175.510 -0.060 0.000 1.330 297 N CA -0.014 52.985 53.050 -0.084 0.000 0.898 297 N CB 0.194 38.553 38.487 -0.213 0.000 1.151 297 N HN 0.499 nan 8.380 nan 0.000 0.472 298 A N 0.514 123.283 122.820 -0.084 0.000 2.454 298 A HA 0.184 4.504 4.320 -0.001 0.000 0.260 298 A C 0.010 177.558 177.584 -0.060 0.000 1.106 298 A CA -0.220 51.781 52.037 -0.060 0.000 0.780 298 A CB -0.136 18.830 19.000 -0.057 0.000 1.044 298 A HN 0.804 nan 8.150 nan 0.000 0.498 299 D N -0.071 120.302 120.400 -0.044 0.000 3.077 299 D HA -0.157 4.483 4.640 -0.001 0.000 0.212 299 D C 0.232 176.530 176.300 -0.004 0.000 1.125 299 D CA 1.674 55.658 54.000 -0.026 0.000 0.970 299 D CB -1.080 39.710 40.800 -0.017 0.000 1.110 299 D HN 0.938 nan 8.370 nan 0.000 0.419 300 E N 0.878 121.076 120.200 -0.004 0.000 2.290 300 E HA 0.211 4.560 4.350 -0.001 0.000 0.277 300 E C 0.176 176.812 176.600 0.060 0.000 1.035 300 E CA -0.313 56.105 56.400 0.030 0.000 0.873 300 E CB 0.767 30.489 29.700 0.036 0.000 1.029 300 E HN 0.098 nan 8.360 nan 0.000 0.419 301 R N 2.797 123.344 120.500 0.079 0.000 2.393 301 R HA 0.371 4.710 4.340 -0.001 0.000 0.310 301 R C -1.270 175.078 176.300 0.080 0.000 0.968 301 R CA -0.320 55.839 56.100 0.098 0.000 0.867 301 R CB 1.105 31.480 30.300 0.126 0.000 1.124 301 R HN 0.663 nan 8.270 nan 0.000 0.450 302 S N 3.808 119.532 115.700 0.040 0.000 2.607 302 S HA 0.687 5.157 4.470 -0.001 0.000 0.273 302 S C -1.221 173.382 174.600 0.005 0.000 1.148 302 S CA -0.986 57.131 58.200 -0.138 0.000 0.833 302 S CB 1.527 64.407 63.200 -0.532 0.000 1.130 302 S HN 0.743 nan 8.310 nan 0.000 0.470 303 W N 0.675 121.865 121.300 -0.183 0.000 3.083 303 W HA 0.765 5.425 4.660 -0.001 0.000 0.333 303 W C -1.674 174.773 176.519 -0.120 0.000 1.217 303 W CA -0.748 56.548 57.345 -0.081 0.000 1.170 303 W CB 1.271 30.736 29.460 0.009 0.000 1.437 303 W HN 1.033 nan 8.180 nan 0.000 0.557 304 Q N 1.601 121.578 119.800 0.295 0.000 2.462 304 Q HA 0.635 4.974 4.340 -0.001 0.000 0.285 304 Q C -1.897 174.334 176.000 0.384 0.000 1.035 304 Q CA -0.694 55.208 55.803 0.164 0.000 0.799 304 Q CB 3.223 31.950 28.738 -0.019 0.000 1.452 304 Q HN 0.665 nan 8.270 nan 0.000 0.404 305 V N -0.479 119.647 119.914 0.353 0.000 2.760 305 V HA 0.826 4.946 4.120 -0.001 0.000 0.309 305 V C -1.149 175.124 176.094 0.300 0.000 1.077 305 V CA -0.880 61.642 62.300 0.369 0.000 0.910 305 V CB 1.863 33.931 31.823 0.408 0.000 1.008 305 V HN 0.891 nan 8.190 nan 0.000 0.424 306 R N 2.749 123.452 120.500 0.339 0.000 2.698 306 R HA 0.602 4.941 4.340 -0.001 0.000 0.275 306 R C -2.507 174.051 176.300 0.430 0.000 1.001 306 R CA -0.665 55.592 56.100 0.262 0.000 0.896 306 R CB 2.695 32.984 30.300 -0.018 0.000 1.218 306 R HN 0.967 nan 8.270 nan 0.000 0.462 307 Y N 2.379 122.784 120.300 0.174 0.000 2.346 307 Y HA 0.396 4.946 4.550 -0.001 0.000 0.332 307 Y C -1.605 174.331 175.900 0.060 0.000 0.985 307 Y CA -0.776 57.377 58.100 0.089 0.000 1.112 307 Y CB 1.698 40.207 38.460 0.082 0.000 1.170 307 Y HN 0.602 nan 8.280 nan 0.000 0.447 308 D N 4.527 124.580 120.400 -0.579 0.000 2.350 308 D HA 0.307 4.946 4.640 -0.001 0.000 0.245 308 D C -1.829 174.054 176.300 -0.695 0.000 1.036 308 D CA 0.020 53.758 54.000 -0.437 0.000 0.848 308 D CB 1.711 42.432 40.800 -0.131 0.000 1.307 308 D HN 0.492 nan 8.370 nan 0.000 0.469 309 Y N 0.798 120.731 120.300 -0.612 0.000 2.470 309 Y HA 0.255 4.804 4.550 -0.001 0.000 0.341 309 Y C -1.349 174.252 175.900 -0.498 0.000 1.021 309 Y CA -0.972 56.746 58.100 -0.636 0.000 1.025 309 Y CB 1.803 39.867 38.460 -0.661 0.000 1.266 309 Y HN 0.175 nan 8.280 nan 0.000 0.448 310 D N 5.473 125.156 120.400 -1.195 0.000 2.441 310 D HA 0.096 4.735 4.640 -0.001 0.000 0.221 310 D C 0.290 175.959 176.300 -1.052 0.000 1.156 310 D CA 0.030 53.539 54.000 -0.819 0.000 0.896 310 D CB 0.084 40.546 40.800 -0.564 0.000 1.028 310 D HN 0.572 nan 8.370 nan 0.000 0.509 311 F N 2.337 122.054 119.950 -0.387 0.000 2.667 311 F HA -0.124 4.403 4.527 -0.001 0.000 0.295 311 F C 2.166 177.922 175.800 -0.074 0.000 1.185 311 F CA 0.216 58.181 58.000 -0.058 0.000 1.479 311 F CB -0.312 38.888 39.000 0.334 0.000 1.116 311 F HN 0.298 nan 8.300 nan 0.000 0.606 312 V N -0.110 119.758 119.914 -0.076 0.000 2.626 312 V HA -0.148 3.971 4.120 -0.001 0.000 0.252 312 V C 2.371 178.409 176.094 -0.093 0.000 1.067 312 V CA 2.063 64.339 62.300 -0.039 0.000 1.081 312 V CB -0.798 30.973 31.823 -0.087 0.000 0.686 312 V HN 0.379 nan 8.190 nan 0.000 0.468 313 G N -0.375 108.319 108.800 -0.176 0.000 2.498 313 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.219 313 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.219 313 G C 1.280 176.145 174.900 -0.058 0.000 1.119 313 G CA 0.898 45.943 45.100 -0.092 0.000 0.766 313 G HN 0.558 nan 8.290 nan 0.000 0.552 314 L N -0.363 120.788 121.223 -0.120 0.000 2.808 314 L HA 0.332 4.671 4.340 -0.001 0.000 0.246 314 L C 1.722 178.251 176.870 -0.568 0.000 1.153 314 L CA 0.319 54.938 54.840 -0.368 0.000 0.956 314 L CB 0.422 42.127 42.059 -0.591 0.000 1.270 314 L HN 0.302 nan 8.230 nan 0.000 0.528 315 G N -0.824 107.812 108.800 -0.273 0.000 2.141 315 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.242 315 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.242 315 G C -0.267 174.687 174.900 0.090 0.000 0.982 315 G CA -0.425 44.598 45.100 -0.128 0.000 0.662 315 G HN 0.289 nan 8.290 nan 0.000 0.527 316 W N 0.813 122.184 121.300 0.118 0.000 1.853 316 W HA 0.439 5.098 4.660 -0.001 0.000 0.290 316 W C -1.532 175.091 176.519 0.172 0.000 0.821 316 W CA -2.345 55.075 57.345 0.125 0.000 2.222 316 W CB -0.076 29.436 29.460 0.088 0.000 2.392 316 W HN 0.138 nan 8.180 nan 0.000 0.420 317 P HA -0.142 nan 4.420 nan 0.000 0.245 317 P C 1.202 178.592 177.300 0.150 0.000 1.203 317 P CA 1.536 64.739 63.100 0.171 0.000 0.754 317 P CB 0.026 31.792 31.700 0.109 0.000 0.896 318 G N -1.457 107.502 108.800 0.264 0.000 2.989 318 G HA2 0.179 4.138 3.960 -0.001 0.000 0.221 318 G HA3 0.179 4.138 3.960 -0.001 0.000 0.221 318 G C -0.170 174.831 174.900 0.168 0.000 1.050 318 G CA -0.024 45.097 45.100 0.035 0.000 0.913 318 G HN 0.237 nan 8.290 nan 0.000 0.587 319 L N 1.761 123.261 121.223 0.463 0.000 2.276 319 L HA 0.791 5.130 4.340 -0.001 0.000 0.286 319 L C -0.704 176.432 176.870 0.443 0.000 1.061 319 L CA -0.793 54.324 54.840 0.461 0.000 0.807 319 L CB 1.328 43.630 42.059 0.406 0.000 1.177 319 L HN 0.070 nan 8.230 nan 0.000 0.429 320 I N 3.808 124.589 120.570 0.351 0.000 2.730 320 I HA 0.842 5.011 4.170 -0.001 0.000 0.298 320 I C -0.432 175.878 176.117 0.321 0.000 1.089 320 I CA -0.361 61.097 61.300 0.264 0.000 1.041 320 I CB 2.035 40.074 38.000 0.064 0.000 1.235 320 I HN 0.700 nan 8.210 nan 0.000 0.423 321 G N 6.700 115.673 108.800 0.288 0.000 2.574 321 G HA2 0.655 4.614 3.960 -0.001 0.000 0.299 321 G HA3 0.655 4.614 3.960 -0.001 0.000 0.299 321 G C -1.742 173.236 174.900 0.131 0.000 1.298 321 G CA -0.675 44.605 45.100 0.301 0.000 0.952 321 G HN 0.629 nan 8.290 nan 0.000 0.477 322 M N 0.988 120.665 119.600 0.127 0.000 2.550 322 M HA 0.690 5.170 4.480 -0.001 0.000 0.292 322 M C -1.568 174.793 176.300 0.102 0.000 1.221 322 M CA -0.979 54.356 55.300 0.058 0.000 0.873 322 M CB 2.475 35.062 32.600 -0.022 0.000 1.727 322 M HN 0.754 nan 8.290 nan 0.000 0.459 323 V N 1.938 121.919 119.914 0.112 0.000 2.655 323 V HA 0.757 4.876 4.120 -0.001 0.000 0.301 323 V C -1.341 174.825 176.094 0.122 0.000 1.082 323 V CA -0.721 61.662 62.300 0.139 0.000 0.899 323 V CB 1.503 33.452 31.823 0.210 0.000 1.014 323 V HN 1.060 nan 8.190 nan 0.000 0.429 324 R N 3.433 123.976 120.500 0.071 0.000 2.673 324 R HA 0.764 5.104 4.340 -0.001 0.000 0.281 324 R C -2.194 174.189 176.300 0.138 0.000 0.991 324 R CA -0.823 55.323 56.100 0.077 0.000 0.896 324 R CB 2.414 32.679 30.300 -0.059 0.000 1.201 324 R HN 0.807 nan 8.270 nan 0.000 0.457 325 Y N 0.719 121.038 120.300 0.032 0.000 2.391 325 Y HA 0.679 5.228 4.550 -0.001 0.000 0.341 325 Y C -0.948 174.895 175.900 -0.095 0.000 0.965 325 Y CA -0.388 57.718 58.100 0.010 0.000 1.067 325 Y CB 2.556 41.022 38.460 0.010 0.000 1.199 325 Y HN 0.973 nan 8.280 nan 0.000 0.450 326 G N 3.376 111.780 108.800 -0.661 0.000 2.591 326 G HA2 0.456 4.415 3.960 -0.001 0.000 0.306 326 G HA3 0.456 4.415 3.960 -0.001 0.000 0.306 326 G C -2.432 171.924 174.900 -0.907 0.000 1.334 326 G CA -0.748 43.920 45.100 -0.720 0.000 0.981 326 G HN 0.808 nan 8.290 nan 0.000 0.491 327 H N -0.043 118.248 119.070 -1.298 0.000 2.589 327 H HA 0.685 5.240 4.556 -0.001 0.000 0.351 327 H C 0.217 175.148 175.328 -0.661 0.000 1.074 327 H CA -0.029 55.537 56.048 -0.804 0.000 1.203 327 H CB 1.836 31.089 29.762 -0.847 0.000 1.558 327 H HN 0.767 nan 8.280 nan 0.000 0.522 328 G N 2.184 110.661 108.800 -0.539 0.000 2.417 328 G HA2 0.506 4.466 3.960 -0.001 0.000 0.334 328 G HA3 0.506 4.466 3.960 -0.001 0.000 0.334 328 G C -1.167 173.636 174.900 -0.162 0.000 1.150 328 G CA -0.484 44.550 45.100 -0.110 0.000 0.923 328 G HN 0.638 nan 8.290 nan 0.000 0.485 329 S N -0.246 115.484 115.700 0.051 0.000 2.625 329 S HA 0.423 4.893 4.470 -0.001 0.000 0.271 329 S C 0.510 175.173 174.600 0.105 0.000 1.161 329 S CA -0.038 58.236 58.200 0.124 0.000 0.820 329 S CB 1.222 64.568 63.200 0.242 0.000 1.137 329 S HN 1.107 nan 8.310 nan 0.000 0.470 330 N N 0.087 118.850 118.700 0.105 0.000 2.678 330 N HA -0.207 4.533 4.740 -0.001 0.000 0.250 330 N C -0.000 175.519 175.510 0.016 0.000 1.136 330 N CA 0.705 53.795 53.050 0.067 0.000 0.757 330 N CB -0.944 37.586 38.487 0.071 0.000 1.135 330 N HN 0.886 nan 8.380 nan 0.000 0.565 331 A N 0.958 123.769 122.820 -0.015 0.000 2.492 331 A HA 0.377 4.696 4.320 -0.001 0.000 0.254 331 A C 0.770 178.236 177.584 -0.196 0.000 1.091 331 A CA 0.726 52.680 52.037 -0.138 0.000 0.768 331 A CB 0.325 19.166 19.000 -0.265 0.000 1.028 331 A HN 0.444 nan 8.150 nan 0.000 0.498 332 T N 0.676 115.126 114.554 -0.174 0.000 2.794 332 T HA 0.707 5.057 4.350 -0.001 0.000 0.280 332 T C 0.101 174.678 174.700 -0.206 0.000 0.987 332 T CA 0.144 62.155 62.100 -0.148 0.000 0.993 332 T CB 1.220 70.044 68.868 -0.073 0.000 0.939 332 T HN 1.272 nan 8.240 nan 0.000 0.449 333 T N -0.144 114.288 114.554 -0.204 0.000 2.618 333 T HA 0.466 4.816 4.350 -0.001 0.000 0.286 333 T C 0.392 175.046 174.700 -0.077 0.000 1.027 333 T CA -1.155 60.835 62.100 -0.183 0.000 1.063 333 T CB 1.102 69.784 68.868 -0.310 0.000 1.440 333 T HN 0.510 nan 8.240 nan 0.000 0.505 334 K N 0.299 120.677 120.400 -0.038 0.000 2.569 334 K HA 0.381 4.700 4.320 -0.001 0.000 0.193 334 K C 1.277 177.888 176.600 0.018 0.000 1.026 334 K CA 0.485 56.769 56.287 -0.005 0.000 1.093 334 K CB -0.097 32.405 32.500 0.004 0.000 0.849 334 K HN 0.565 nan 8.250 nan 0.000 0.509 335 A N 0.936 123.774 122.820 0.030 0.000 2.419 335 A HA 0.457 4.777 4.320 -0.001 0.000 0.233 335 A C 0.762 178.380 177.584 0.056 0.000 1.217 335 A CA 0.420 52.497 52.037 0.067 0.000 0.944 335 A CB 0.682 19.770 19.000 0.147 0.000 1.025 335 A HN 0.380 nan 8.150 nan 0.000 0.524 336 G N -1.431 107.383 108.800 0.023 0.000 2.320 336 G HA2 0.372 4.331 3.960 -0.001 0.000 0.274 336 G HA3 0.372 4.331 3.960 -0.001 0.000 0.274 336 G C -0.806 174.092 174.900 -0.004 0.000 1.324 336 G CA 0.018 45.131 45.100 0.021 0.000 0.957 336 G HN 0.611 nan 8.290 nan 0.000 0.481 337 S N -1.252 114.456 115.700 0.013 0.000 2.638 337 S HA 0.702 5.171 4.470 -0.001 0.000 0.302 337 S C 0.942 175.561 174.600 0.032 0.000 1.096 337 S CA 0.914 59.116 58.200 0.004 0.000 0.953 337 S CB 1.458 64.665 63.200 0.011 0.000 1.107 337 S HN 2.683 nan 8.310 nan 0.000 0.503 338 G N 0.649 109.468 108.800 0.033 0.000 2.179 338 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.257 338 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.257 338 G C 0.427 175.389 174.900 0.103 0.000 1.010 338 G CA -0.102 45.038 45.100 0.067 0.000 0.736 338 G HN 1.106 nan 8.290 nan 0.000 0.513 339 G N -0.448 108.405 108.800 0.089 0.000 2.432 339 G HA2 0.466 4.425 3.960 -0.001 0.000 0.239 339 G HA3 0.466 4.425 3.960 -0.001 0.000 0.239 339 G C 0.155 175.220 174.900 0.275 0.000 1.291 339 G CA 0.218 45.455 45.100 0.228 0.000 0.863 339 G HN 0.545 nan 8.290 nan 0.000 0.560 340 K N 0.605 121.203 120.400 0.330 0.000 2.350 340 K HA 0.633 4.952 4.320 -0.001 0.000 0.241 340 K C -0.535 176.141 176.600 0.126 0.000 0.994 340 K CA -0.720 55.688 56.287 0.200 0.000 0.839 340 K CB 2.433 35.053 32.500 0.201 0.000 1.244 340 K HN 0.850 nan 8.250 nan 0.000 0.443 341 E N 0.697 120.868 120.200 -0.048 0.000 2.389 341 E HA 0.377 4.726 4.350 -0.001 0.000 0.281 341 E C -1.633 174.936 176.600 -0.052 0.000 1.072 341 E CA -1.191 55.143 56.400 -0.110 0.000 0.845 341 E CB 1.123 30.760 29.700 -0.105 0.000 1.239 341 E HN 0.656 nan 8.360 nan 0.000 0.434 342 W N 1.352 122.565 121.300 -0.144 0.000 3.217 342 W HA 0.735 5.395 4.660 -0.001 0.000 0.323 342 W C -1.714 174.678 176.519 -0.212 0.000 1.216 342 W CA -0.682 56.549 57.345 -0.189 0.000 1.194 342 W CB 1.394 30.747 29.460 -0.177 0.000 1.397 342 W HN 0.833 nan 8.180 nan 0.000 0.537 343 E N 2.515 122.765 120.200 0.083 0.000 2.272 343 E HA 0.406 4.756 4.350 -0.001 0.000 0.269 343 E C -1.274 175.405 176.600 0.131 0.000 0.877 343 E CA -0.762 55.623 56.400 -0.024 0.000 0.755 343 E CB 2.426 32.045 29.700 -0.136 0.000 1.192 343 E HN 0.407 nan 8.360 nan 0.000 0.422 344 R N 3.530 124.176 120.500 0.244 0.000 2.437 344 R HA 0.344 4.683 4.340 -0.001 0.000 0.310 344 R C -1.639 174.740 176.300 0.132 0.000 0.955 344 R CA -0.471 55.808 56.100 0.297 0.000 0.851 344 R CB 1.180 31.789 30.300 0.516 0.000 1.161 344 R HN 0.579 nan 8.270 nan 0.000 0.446 345 D N 2.826 123.263 120.400 0.062 0.000 2.502 345 D HA 0.378 5.017 4.640 -0.001 0.000 0.249 345 D C -0.963 175.365 176.300 0.046 0.000 1.092 345 D CA -0.321 53.667 54.000 -0.020 0.000 0.839 345 D CB 2.534 43.079 40.800 -0.426 0.000 1.264 345 D HN 0.119 nan 8.370 nan 0.000 0.511 346 V N 2.040 122.057 119.914 0.172 0.000 2.577 346 V HA 0.480 4.600 4.120 -0.001 0.000 0.303 346 V C -0.344 175.888 176.094 0.229 0.000 1.042 346 V CA -0.745 61.664 62.300 0.182 0.000 0.872 346 V CB 2.157 34.099 31.823 0.199 0.000 0.998 346 V HN 0.473 nan 8.190 nan 0.000 0.423 347 E N 4.305 124.620 120.200 0.192 0.000 2.292 347 E HA 0.657 5.006 4.350 -0.001 0.000 0.272 347 E C -1.997 174.706 176.600 0.172 0.000 0.881 347 E CA -0.677 55.846 56.400 0.205 0.000 0.754 347 E CB 2.245 32.104 29.700 0.265 0.000 1.201 347 E HN 0.631 nan 8.360 nan 0.000 0.425 348 L N 3.453 124.761 121.223 0.142 0.000 2.333 348 L HA 0.689 5.029 4.340 -0.001 0.000 0.280 348 L C -0.187 176.753 176.870 0.116 0.000 1.004 348 L CA -0.705 54.218 54.840 0.138 0.000 0.820 348 L CB 1.933 44.035 42.059 0.073 0.000 1.247 348 L HN 0.715 nan 8.230 nan 0.000 0.416 349 G N 2.459 111.345 108.800 0.143 0.000 2.702 349 G HA2 0.386 4.346 3.960 -0.001 0.000 0.295 349 G HA3 0.386 4.346 3.960 -0.001 0.000 0.295 349 G C -2.032 172.968 174.900 0.165 0.000 1.446 349 G CA -0.280 44.892 45.100 0.120 0.000 0.983 349 G HN 0.448 nan 8.290 nan 0.000 0.520 350 Y N 2.044 122.350 120.300 0.010 0.000 2.341 350 Y HA 0.653 5.202 4.550 -0.001 0.000 0.337 350 Y C -0.267 175.632 175.900 -0.002 0.000 1.014 350 Y CA -0.538 57.565 58.100 0.006 0.000 1.111 350 Y CB 2.202 40.645 38.460 -0.028 0.000 1.194 350 Y HN 0.391 nan 8.280 nan 0.000 0.462 351 T N 6.165 120.305 114.554 -0.689 0.000 2.833 351 T HA 0.243 4.593 4.350 -0.001 0.000 0.297 351 T C -0.871 173.356 174.700 -0.788 0.000 1.015 351 T CA -0.619 61.141 62.100 -0.566 0.000 0.963 351 T CB 0.696 69.393 68.868 -0.284 0.000 0.955 351 T HN 0.499 nan 8.240 nan 0.000 0.449 352 V N 5.005 124.528 119.914 -0.652 0.000 2.506 352 V HA -0.041 4.078 4.120 -0.001 0.000 0.296 352 V C 1.522 177.481 176.094 -0.225 0.000 1.004 352 V CA 0.406 62.485 62.300 -0.368 0.000 1.150 352 V CB 0.421 32.183 31.823 -0.101 0.000 0.911 352 V HN 0.826 nan 8.190 nan 0.000 0.476 353 Q N 2.992 122.699 119.800 -0.155 0.000 2.245 353 Q HA 0.034 4.373 4.340 -0.001 0.000 0.201 353 Q C 0.986 176.953 176.000 -0.054 0.000 0.955 353 Q CA 1.030 56.777 55.803 -0.093 0.000 0.870 353 Q CB 0.294 29.002 28.738 -0.049 0.000 0.945 353 Q HN 0.984 nan 8.270 nan 0.000 0.461 354 S N -2.782 112.903 115.700 -0.026 0.000 2.752 354 S HA 0.740 5.210 4.470 -0.001 0.000 0.284 354 S C 0.145 174.752 174.600 0.010 0.000 1.189 354 S CA -0.255 57.940 58.200 -0.009 0.000 0.835 354 S CB 1.701 64.903 63.200 0.002 0.000 1.192 354 S HN 0.474 nan 8.310 nan 0.000 0.506 355 G N 0.989 109.799 108.800 0.017 0.000 2.660 355 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.215 355 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.215 355 G C -1.775 173.148 174.900 0.037 0.000 1.345 355 G CA -0.087 45.030 45.100 0.029 0.000 0.877 355 G HN 0.849 nan 8.290 nan 0.000 0.549 356 P HA 0.044 nan 4.420 nan 0.000 0.219 356 P C 1.564 178.922 177.300 0.097 0.000 1.150 356 P CA 1.201 64.337 63.100 0.060 0.000 0.814 356 P CB 0.051 31.780 31.700 0.048 0.000 0.787 357 L N -0.774 120.507 121.223 0.096 0.000 2.728 357 L HA 0.330 4.670 4.340 -0.001 0.000 0.235 357 L C 0.986 177.909 176.870 0.089 0.000 1.197 357 L CA -0.751 54.178 54.840 0.148 0.000 0.992 357 L CB -0.455 41.679 42.059 0.125 0.000 1.263 357 L HN -0.139 nan 8.230 nan 0.000 0.484 358 A N 0.384 123.225 122.820 0.034 0.000 2.520 358 A HA 0.230 4.550 4.320 -0.001 0.000 0.235 358 A C 1.116 178.621 177.584 -0.133 0.000 1.065 358 A CA 0.151 52.161 52.037 -0.046 0.000 0.764 358 A CB 0.236 19.211 19.000 -0.042 0.000 1.002 358 A HN 0.559 nan 8.150 nan 0.000 0.502 359 R N -1.873 118.519 120.500 -0.180 0.000 3.606 359 R HA -0.192 4.147 4.340 -0.001 0.000 0.439 359 R C 0.282 176.414 176.300 -0.281 0.000 0.585 359 R CA 1.244 57.191 56.100 -0.255 0.000 1.521 359 R CB -2.436 27.661 30.300 -0.338 0.000 2.112 359 R HN 0.931 nan 8.270 nan 0.000 0.375 360 L N 3.147 124.241 121.223 -0.216 0.000 2.543 360 L HA 0.170 4.509 4.340 -0.001 0.000 0.285 360 L C 0.407 177.220 176.870 -0.094 0.000 1.236 360 L CA 0.881 55.671 54.840 -0.084 0.000 0.871 360 L CB 0.267 42.388 42.059 0.102 0.000 1.121 360 L HN 0.225 nan 8.230 nan 0.000 0.501 361 N N 3.730 122.400 118.700 -0.050 0.000 2.258 361 N HA 0.488 5.228 4.740 -0.001 0.000 0.299 361 N C -1.955 173.561 175.510 0.011 0.000 1.047 361 N CA -0.465 52.556 53.050 -0.049 0.000 0.814 361 N CB 2.044 40.491 38.487 -0.066 0.000 1.413 361 N HN 0.430 nan 8.380 nan 0.000 0.478 362 V N 3.792 123.728 119.914 0.037 0.000 2.447 362 V HA 0.501 4.620 4.120 -0.001 0.000 0.292 362 V C -0.275 175.848 176.094 0.049 0.000 1.021 362 V CA -0.673 61.661 62.300 0.057 0.000 0.850 362 V CB 1.361 33.247 31.823 0.105 0.000 1.005 362 V HN 0.559 nan 8.190 nan 0.000 0.426 363 R N 4.301 124.806 120.500 0.009 0.000 2.439 363 R HA 0.654 4.994 4.340 -0.001 0.000 0.310 363 R C -1.248 175.037 176.300 -0.024 0.000 0.955 363 R CA -0.608 55.494 56.100 0.004 0.000 0.853 363 R CB 2.428 32.720 30.300 -0.012 0.000 1.171 363 R HN 0.614 nan 8.270 nan 0.000 0.449 364 L N 5.177 126.402 121.223 0.004 0.000 2.325 364 L HA 0.509 4.848 4.340 -0.001 0.000 0.281 364 L C -1.005 175.885 176.870 0.033 0.000 1.004 364 L CA -0.406 54.431 54.840 -0.004 0.000 0.823 364 L CB 1.079 43.136 42.059 -0.002 0.000 1.236 364 L HN 0.841 nan 8.230 nan 0.000 0.415 365 N N 2.057 120.766 118.700 0.014 0.000 2.571 365 N HA 0.461 5.201 4.740 -0.001 0.000 0.273 365 N C -1.682 173.896 175.510 0.112 0.000 1.340 365 N CA -0.832 52.279 53.050 0.101 0.000 0.789 365 N CB 2.407 40.972 38.487 0.131 0.000 1.514 365 N HN 0.604 nan 8.380 nan 0.000 0.499 366 H N -0.576 118.552 119.070 0.095 0.000 2.961 366 H HA 0.741 5.297 4.556 -0.001 0.000 0.371 366 H C -1.925 173.475 175.328 0.119 0.000 1.190 366 H CA -0.360 55.712 56.048 0.040 0.000 1.138 366 H CB 2.211 31.989 29.762 0.027 0.000 1.816 366 H HN 0.928 nan 8.280 nan 0.000 0.551 367 A N 2.225 124.610 122.820 -0.725 0.000 2.520 367 A HA 0.657 4.976 4.320 -0.001 0.000 0.298 367 A C -1.337 175.884 177.584 -0.605 0.000 1.051 367 A CA -0.605 51.199 52.037 -0.388 0.000 0.690 367 A CB 1.699 20.629 19.000 -0.116 0.000 1.281 367 A HN 0.572 nan 8.150 nan 0.000 0.402 368 S N 1.147 116.651 115.700 -0.327 0.000 2.561 368 S HA 0.630 5.099 4.470 -0.001 0.000 0.303 368 S C -0.883 173.338 174.600 -0.631 0.000 1.110 368 S CA -0.528 57.444 58.200 -0.379 0.000 1.034 368 S CB 1.155 64.376 63.200 0.035 0.000 1.010 368 S HN 0.657 nan 8.310 nan 0.000 0.482 369 N N 2.094 120.229 118.700 -0.942 0.000 2.346 369 N HA 0.536 5.276 4.740 -0.001 0.000 0.289 369 N C -1.098 173.860 175.510 -0.920 0.000 1.027 369 N CA -0.793 51.673 53.050 -0.973 0.000 0.864 369 N CB 1.075 38.943 38.487 -1.031 0.000 1.370 369 N HN 0.278 nan 8.380 nan 0.000 0.481 370 R N 1.957 121.836 120.500 -1.034 0.000 2.561 370 R HA 0.595 4.934 4.340 -0.001 0.000 0.297 370 R C -0.722 175.216 176.300 -0.604 0.000 0.969 370 R CA -0.710 54.912 56.100 -0.796 0.000 0.879 370 R CB 1.852 31.544 30.300 -1.013 0.000 1.178 370 R HN 0.553 nan 8.270 nan 0.000 0.445 371 R N -0.225 119.995 120.500 -0.467 0.000 2.604 371 R HA 0.310 4.649 4.340 -0.001 0.000 0.281 371 R C 0.550 176.547 176.300 -0.506 0.000 1.020 371 R CA -0.348 55.366 56.100 -0.644 0.000 0.899 371 R CB 1.988 31.730 30.300 -0.930 0.000 1.205 371 R HN 0.584 nan 8.270 nan 0.000 0.450 372 S N 1.506 116.937 115.700 -0.449 0.000 2.406 372 S HA -0.092 4.378 4.470 -0.001 0.000 0.228 372 S C 0.996 175.541 174.600 -0.091 0.000 1.020 372 S CA 1.103 59.227 58.200 -0.128 0.000 0.965 372 S CB -0.090 63.168 63.200 0.098 0.000 0.798 372 S HN 0.632 nan 8.310 nan 0.000 0.488 373 F N 0.989 120.933 119.950 -0.010 0.000 2.639 373 F HA 0.633 5.159 4.527 -0.001 0.000 0.300 373 F C 0.108 175.899 175.800 -0.015 0.000 1.109 373 F CA -1.020 56.974 58.000 -0.011 0.000 1.335 373 F CB -0.642 38.350 39.000 -0.013 0.000 1.014 373 F HN 0.005 nan 8.300 nan 0.000 0.537 374 N N -1.221 117.330 118.700 -0.248 0.000 3.356 374 N HA 0.261 5.001 4.740 -0.001 0.000 0.246 374 N C -1.354 174.090 175.510 -0.110 0.000 1.480 374 N CA -0.506 52.471 53.050 -0.122 0.000 0.877 374 N CB 1.136 39.577 38.487 -0.077 0.000 1.431 374 N HN -0.064 nan 8.380 nan 0.000 0.500 375 S N 0.774 116.458 115.700 -0.027 0.000 2.546 375 S HA 0.130 4.599 4.470 -0.001 0.000 0.290 375 S C -0.903 173.849 174.600 0.253 0.000 1.290 375 S CA 0.071 58.316 58.200 0.075 0.000 1.069 375 S CB -0.087 63.127 63.200 0.023 0.000 0.846 375 S HN 0.396 nan 8.310 nan 0.000 0.495 376 D N 1.434 121.977 120.400 0.238 0.000 2.253 376 D HA 0.758 5.398 4.640 -0.001 0.000 0.249 376 D C -0.165 176.379 176.300 0.407 0.000 1.049 376 D CA -0.075 54.026 54.000 0.169 0.000 0.929 376 D CB 0.705 41.499 40.800 -0.009 0.000 1.176 376 D HN 0.406 nan 8.370 nan 0.000 0.437 377 F N -1.804 118.051 119.950 -0.159 0.000 2.900 377 F HA 0.480 5.006 4.527 -0.001 0.000 0.321 377 F C -1.918 173.704 175.800 -0.296 0.000 1.160 377 F CA -1.109 56.722 58.000 -0.282 0.000 0.890 377 F CB 1.001 39.568 39.000 -0.723 0.000 1.334 377 F HN 0.029 nan 8.300 nan 0.000 0.459 378 D N 0.606 120.833 120.400 -0.288 0.000 2.490 378 D HA 0.429 5.068 4.640 -0.001 0.000 0.232 378 D C -1.694 174.427 176.300 -0.298 0.000 1.053 378 D CA -0.295 53.492 54.000 -0.354 0.000 0.914 378 D CB 2.511 43.256 40.800 -0.092 0.000 1.431 378 D HN 0.734 nan 8.370 nan 0.000 0.483 379 Q N 0.410 119.931 119.800 -0.465 0.000 2.289 379 Q HA 0.469 4.808 4.340 -0.001 0.000 0.270 379 Q C -1.724 174.039 176.000 -0.396 0.000 1.038 379 Q CA -0.508 55.044 55.803 -0.418 0.000 0.812 379 Q CB 1.824 30.339 28.738 -0.372 0.000 1.300 379 Q HN 0.344 nan 8.270 nan 0.000 0.427 380 T N 3.274 117.638 114.554 -0.316 0.000 2.863 380 T HA 0.720 5.070 4.350 -0.001 0.000 0.285 380 T C -0.987 173.511 174.700 -0.337 0.000 1.009 380 T CA -0.718 61.285 62.100 -0.163 0.000 0.989 380 T CB 1.249 70.111 68.868 -0.010 0.000 1.004 380 T HN 0.557 nan 8.240 nan 0.000 0.455 381 R N 1.176 121.538 120.500 -0.231 0.000 2.548 381 R HA 0.618 4.958 4.340 -0.001 0.000 0.280 381 R C -1.809 174.402 176.300 -0.148 0.000 1.061 381 R CA -0.863 55.082 56.100 -0.258 0.000 0.915 381 R CB 1.728 31.837 30.300 -0.318 0.000 1.210 381 R HN 0.377 nan 8.270 nan 0.000 0.442 382 L N 3.128 124.306 121.223 -0.075 0.000 2.325 382 L HA 0.613 4.953 4.340 -0.001 0.000 0.281 382 L C -1.465 175.337 176.870 -0.114 0.000 1.004 382 L CA -0.612 54.208 54.840 -0.034 0.000 0.823 382 L CB 2.066 44.164 42.059 0.065 0.000 1.236 382 L HN 0.447 nan 8.230 nan 0.000 0.415 383 V N 6.048 125.869 119.914 -0.156 0.000 2.447 383 V HA 0.473 4.592 4.120 -0.001 0.000 0.292 383 V C -0.444 175.623 176.094 -0.046 0.000 1.021 383 V CA -0.686 61.506 62.300 -0.179 0.000 0.850 383 V CB 1.761 33.368 31.823 -0.359 0.000 1.005 383 V HN 0.489 nan 8.190 nan 0.000 0.426 384 V N 4.092 124.019 119.914 0.021 0.000 2.394 384 V HA 0.617 4.737 4.120 -0.001 0.000 0.282 384 V C 0.177 176.300 176.094 0.049 0.000 1.031 384 V CA 0.086 62.413 62.300 0.046 0.000 0.881 384 V CB 1.889 33.757 31.823 0.075 0.000 0.982 384 V HN 0.927 nan 8.190 nan 0.000 0.451 385 S N 3.907 119.632 115.700 0.042 0.000 2.548 385 S HA 0.696 5.166 4.470 -0.001 0.000 0.286 385 S C -1.529 173.112 174.600 0.068 0.000 1.098 385 S CA -0.551 57.674 58.200 0.042 0.000 0.930 385 S CB 1.833 65.041 63.200 0.013 0.000 1.070 385 S HN 0.641 nan 8.310 nan 0.000 0.480 386 Y N 4.029 124.300 120.300 -0.047 0.000 2.373 386 Y HA 0.543 5.092 4.550 -0.001 0.000 0.336 386 Y C -2.889 172.974 175.900 -0.062 0.000 0.979 386 Y CA -1.902 56.167 58.100 -0.052 0.000 1.080 386 Y CB 2.056 40.489 38.460 -0.045 0.000 1.190 386 Y HN 0.368 nan 8.280 nan 0.000 0.446 387 P HA 0.422 nan 4.420 nan 0.000 0.300 387 P C -1.499 175.596 177.300 -0.341 0.000 1.326 387 P CA -0.328 62.588 63.100 -0.306 0.000 0.844 387 P CB 2.457 33.979 31.700 -0.296 0.000 0.992 388 L N 2.604 123.714 121.223 -0.188 0.000 2.410 388 L HA 0.538 4.878 4.340 -0.001 0.000 0.270 388 L C 0.086 176.554 176.870 -0.671 0.000 0.983 388 L CA -0.280 54.350 54.840 -0.350 0.000 0.822 388 L CB 2.242 44.173 42.059 -0.214 0.000 1.285 388 L HN 0.534 nan 8.230 nan 0.000 0.409 389 S N 1.895 117.077 115.700 -0.863 0.000 2.564 389 S HA 0.726 5.196 4.470 -0.001 0.000 0.274 389 S C -1.543 172.574 174.600 -0.805 0.000 1.124 389 S CA -0.771 57.002 58.200 -0.711 0.000 0.869 389 S CB 1.980 65.001 63.200 -0.300 0.000 1.105 389 S HN 0.542 nan 8.310 nan 0.000 0.472 390 W N 0.000 121.324 121.300 0.040 0.000 2.388 390 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 390 W CA 0.000 57.369 57.345 0.040 0.000 1.226 390 W CB 0.000 29.494 29.460 0.056 0.000 1.126 390 W HN 0.000 nan 8.180 nan 0.000 0.535