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 3gvr_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSDILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTYMVEGGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.804 175.800 0.007 0.000 0.967 11 F CA 0.000 58.003 58.000 0.005 0.000 1.383 11 F CB 0.000 39.004 39.000 0.006 0.000 1.145 12 P HA 0.124 nan 4.420 nan 0.000 0.269 12 P C -0.853 176.509 177.300 0.105 0.000 1.209 12 P CA -0.359 62.816 63.100 0.124 0.000 0.776 12 P CB 0.679 32.437 31.700 0.097 0.000 0.876 13 E N 1.365 121.608 120.200 0.072 0.000 2.344 13 E HA 0.075 4.425 4.350 -0.000 0.000 0.270 13 E C -0.463 176.165 176.600 0.047 0.000 1.021 13 E CA -0.673 55.761 56.400 0.058 0.000 0.887 13 E CB 0.405 30.131 29.700 0.044 0.000 0.997 13 E HN 0.267 nan 8.360 nan 0.000 0.429 14 L N 5.309 126.559 121.223 0.044 0.000 2.499 14 L HA -0.026 4.314 4.340 -0.000 0.000 0.273 14 L C 0.815 177.709 176.870 0.040 0.000 1.195 14 L CA 0.978 55.842 54.840 0.040 0.000 0.882 14 L CB 0.538 42.623 42.059 0.043 0.000 1.133 14 L HN 0.592 nan 8.230 nan 0.000 0.483 15 K N 2.463 122.886 120.400 0.039 0.000 2.141 15 K HA 0.092 4.412 4.320 -0.000 0.000 0.202 15 K C 0.217 176.846 176.600 0.048 0.000 1.045 15 K CA 0.400 56.711 56.287 0.039 0.000 0.971 15 K CB 0.134 32.654 32.500 0.033 0.000 0.795 15 K HN 0.539 nan 8.250 nan 0.000 0.459 16 N N 1.768 120.502 118.700 0.057 0.000 2.479 16 N HA 0.003 4.742 4.740 -0.000 0.000 0.261 16 N C -1.220 174.341 175.510 0.085 0.000 0.979 16 N CA -0.384 52.714 53.050 0.079 0.000 0.930 16 N CB 1.191 39.736 38.487 0.096 0.000 1.172 16 N HN 0.073 nan 8.380 nan 0.000 0.499 17 D N 1.589 122.037 120.400 0.080 0.000 2.501 17 D HA 0.084 4.724 4.640 -0.000 0.000 0.224 17 D C 0.440 176.785 176.300 0.075 0.000 1.202 17 D CA -0.100 53.954 54.000 0.089 0.000 0.829 17 D CB -0.189 40.657 40.800 0.077 0.000 1.023 17 D HN 0.362 nan 8.370 nan 0.000 0.499 18 T N 0.509 115.089 114.554 0.043 0.000 2.653 18 T HA -0.212 4.137 4.350 -0.000 0.000 0.268 18 T C 1.349 176.039 174.700 -0.016 0.000 1.035 18 T CA 1.580 63.642 62.100 -0.064 0.000 1.154 18 T CB -0.639 68.080 68.868 -0.249 0.000 0.862 18 T HN 0.309 nan 8.240 nan 0.000 0.441 19 F N 1.579 121.490 119.950 -0.065 0.000 2.126 19 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 19 F C 1.911 177.673 175.800 -0.062 0.000 1.096 19 F CA 1.184 59.150 58.000 -0.058 0.000 1.255 19 F CB -0.456 38.512 39.000 -0.054 0.000 0.997 19 F HN 0.081 nan 8.300 nan 0.000 0.479 20 L N -0.182 120.977 121.223 -0.106 0.000 2.109 20 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 20 L C 2.695 179.540 176.870 -0.041 0.000 1.086 20 L CA 1.079 55.818 54.840 -0.169 0.000 0.760 20 L CB -0.590 41.536 42.059 0.111 0.000 0.910 20 L HN 0.050 nan 8.230 nan 0.000 0.437 21 R N 0.062 120.578 120.500 0.026 0.000 2.066 21 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 21 R C 2.445 178.750 176.300 0.007 0.000 1.131 21 R CA 1.334 57.478 56.100 0.074 0.000 0.955 21 R CB -0.540 29.778 30.300 0.030 0.000 0.851 21 R HN 0.315 nan 8.270 nan 0.000 0.432 22 A N 1.528 124.290 122.820 -0.096 0.000 1.908 22 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 22 A C 2.406 179.890 177.584 -0.166 0.000 1.181 22 A CA 1.827 53.796 52.037 -0.115 0.000 0.627 22 A CB -0.643 18.268 19.000 -0.148 0.000 0.818 22 A HN 0.412 nan 8.150 nan 0.000 0.445 23 A N -1.652 120.951 122.820 -0.361 0.000 1.933 23 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 23 A C 1.865 179.235 177.584 -0.356 0.000 1.175 23 A CA 1.227 52.972 52.037 -0.485 0.000 0.628 23 A CB -0.833 17.645 19.000 -0.870 0.000 0.814 23 A HN 0.771 nan 8.150 nan 0.000 0.444 24 W N -1.366 119.853 121.300 -0.135 0.000 3.180 24 W HA 0.362 5.022 4.660 -0.000 0.000 0.254 24 W C 1.592 178.083 176.519 -0.047 0.000 1.318 24 W CA 0.594 57.893 57.345 -0.078 0.000 1.608 24 W CB 0.285 29.702 29.460 -0.070 0.000 1.124 24 W HN 0.569 nan 8.180 nan 0.000 0.694 25 G N 0.216 109.095 108.800 0.131 0.000 2.176 25 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.232 25 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.232 25 G C 0.038 174.994 174.900 0.094 0.000 0.986 25 G CA -0.414 44.747 45.100 0.101 0.000 0.643 25 G HN 0.322 nan 8.290 nan 0.000 0.522 26 E N 0.344 120.601 120.200 0.095 0.000 2.349 26 E HA 0.511 4.861 4.350 -0.000 0.000 0.262 26 E C 0.167 176.806 176.600 0.066 0.000 1.088 26 E CA -0.666 55.778 56.400 0.072 0.000 0.899 26 E CB 0.852 30.589 29.700 0.062 0.000 1.044 26 E HN 0.236 nan 8.360 nan 0.000 0.420 27 E N 0.977 121.220 120.200 0.072 0.000 2.398 27 E HA 0.080 4.429 4.350 -0.000 0.000 0.263 27 E C -0.742 175.871 176.600 0.022 0.000 1.046 27 E CA 0.199 56.645 56.400 0.077 0.000 0.908 27 E CB 0.664 30.422 29.700 0.096 0.000 0.963 27 E HN 0.519 nan 8.360 nan 0.000 0.431 28 T N -0.067 114.481 114.554 -0.010 0.000 2.865 28 T HA 0.343 4.693 4.350 -0.000 0.000 0.294 28 T C 0.044 174.715 174.700 -0.048 0.000 1.119 28 T CA -0.878 61.181 62.100 -0.069 0.000 1.007 28 T CB 1.090 69.849 68.868 -0.182 0.000 1.225 28 T HN 0.199 nan 8.240 nan 0.000 0.515 29 D N -0.330 120.045 120.400 -0.041 0.000 2.323 29 D HA 0.190 4.830 4.640 -0.000 0.000 0.209 29 D C 0.185 176.585 176.300 0.166 0.000 0.973 29 D CA 1.185 55.229 54.000 0.074 0.000 0.874 29 D CB -0.068 40.816 40.800 0.141 0.000 0.930 29 D HN 0.699 nan 8.370 nan 0.000 0.521 30 Y N -3.515 116.789 120.300 0.007 0.000 2.689 30 Y HA 0.446 4.996 4.550 -0.000 0.000 0.333 30 Y C -0.749 175.171 175.900 0.034 0.000 1.208 30 Y CA -1.354 56.756 58.100 0.017 0.000 1.055 30 Y CB 0.559 39.013 38.460 -0.010 0.000 1.304 30 Y HN -0.444 nan 8.280 nan 0.000 0.455 31 T N 5.050 119.693 114.554 0.148 0.000 2.761 31 T HA 0.336 4.686 4.350 -0.000 0.000 0.296 31 T C -2.612 172.158 174.700 0.118 0.000 0.934 31 T CA -1.086 61.031 62.100 0.029 0.000 1.091 31 T CB 0.594 69.492 68.868 0.051 0.000 0.896 31 T HN 0.390 nan 8.240 nan 0.000 0.515 32 P HA 0.350 nan 4.420 nan 0.000 0.275 32 P C -0.851 176.522 177.300 0.121 0.000 1.228 32 P CA -0.418 62.770 63.100 0.147 0.000 0.786 32 P CB 1.133 32.896 31.700 0.105 0.000 0.927 33 V N 4.773 124.801 119.914 0.190 0.000 2.760 33 V HA 0.786 4.906 4.120 -0.000 0.000 0.309 33 V C -1.471 174.739 176.094 0.193 0.000 1.077 33 V CA -0.535 61.787 62.300 0.036 0.000 0.910 33 V CB 1.670 33.340 31.823 -0.256 0.000 1.008 33 V HN 0.794 nan 8.190 nan 0.000 0.424 34 W N 4.667 125.938 121.300 -0.048 0.000 3.047 34 W HA 0.776 5.436 4.660 -0.000 0.000 0.341 34 W C -2.079 174.434 176.519 -0.009 0.000 1.225 34 W CA -1.250 56.065 57.345 -0.049 0.000 1.150 34 W CB 1.133 30.504 29.460 -0.147 0.000 1.470 34 W HN 0.637 nan 8.180 nan 0.000 0.578 35 C N 2.493 121.786 119.300 -0.012 0.000 2.441 35 C HA 0.485 4.945 4.460 -0.000 0.000 0.318 35 C C 0.691 175.504 174.990 -0.296 0.000 1.222 35 C CA -0.599 58.241 59.018 -0.296 0.000 1.474 35 C CB 0.797 28.420 27.740 -0.194 0.000 2.125 35 C HN 0.621 nan 8.230 nan 0.000 0.479 36 M N 3.083 122.340 119.600 -0.571 0.000 2.251 36 M HA 0.097 4.577 4.480 -0.000 0.000 0.343 36 M C 1.015 177.194 176.300 -0.202 0.000 1.245 36 M CA 1.016 56.125 55.300 -0.319 0.000 1.061 36 M CB 0.219 32.597 32.600 -0.370 0.000 1.723 36 M HN 0.749 nan 8.290 nan 0.000 0.449 37 R N 0.829 121.280 120.500 -0.081 0.000 3.758 37 R HA -0.257 4.083 4.340 -0.000 0.000 0.299 37 R C 1.190 177.517 176.300 0.045 0.000 1.182 37 R CA 1.104 57.174 56.100 -0.051 0.000 0.809 37 R CB -1.999 28.210 30.300 -0.151 0.000 1.249 37 R HN 0.906 nan 8.270 nan 0.000 0.497 38 Q N -0.310 119.566 119.800 0.126 0.000 2.181 38 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 38 Q C 0.793 177.019 176.000 0.377 0.000 0.980 38 Q CA 1.748 57.706 55.803 0.258 0.000 0.862 38 Q CB 0.109 29.012 28.738 0.275 0.000 0.905 38 Q HN 0.432 nan 8.270 nan 0.000 0.429 39 A N 1.091 124.088 122.820 0.296 0.000 2.506 39 A HA 0.626 4.946 4.320 -0.000 0.000 0.320 39 A C 0.026 177.660 177.584 0.082 0.000 1.424 39 A CA 0.173 52.383 52.037 0.289 0.000 1.044 39 A CB 0.233 19.478 19.000 0.408 0.000 1.140 39 A HN 0.439 nan 8.150 nan 0.000 0.538 40 G N 0.626 109.210 108.800 -0.361 0.000 2.649 40 G HA2 0.423 4.383 3.960 -0.000 0.000 0.290 40 G HA3 0.423 4.383 3.960 -0.000 0.000 0.290 40 G C 0.322 174.580 174.900 -1.069 0.000 1.426 40 G CA -0.800 43.779 45.100 -0.867 0.000 0.794 40 G HN 0.455 nan 8.290 nan 0.000 0.483 41 R N -0.754 119.313 120.500 -0.723 0.000 2.249 41 R HA -0.130 4.210 4.340 -0.000 0.000 0.230 41 R C 2.083 178.346 176.300 -0.063 0.000 1.121 41 R CA 1.735 57.685 56.100 -0.249 0.000 0.997 41 R CB -0.427 29.871 30.300 -0.004 0.000 0.867 41 R HN 0.728 nan 8.270 nan 0.000 0.465 42 Y N -0.150 120.074 120.300 -0.126 0.000 2.403 42 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 42 Y C 0.600 176.505 175.900 0.009 0.000 1.143 42 Y CA 0.201 58.279 58.100 -0.037 0.000 1.257 42 Y CB -0.213 38.218 38.460 -0.048 0.000 0.984 42 Y HN -0.133 nan 8.280 nan 0.000 0.550 43 L N 2.877 123.638 121.223 -0.769 0.000 2.281 43 L HA 0.209 4.549 4.340 -0.000 0.000 0.285 43 L C -1.454 175.332 176.870 -0.141 0.000 1.074 43 L CA -2.076 52.462 54.840 -0.505 0.000 0.817 43 L CB 1.217 42.959 42.059 -0.528 0.000 1.168 43 L HN -0.050 nan 8.230 nan 0.000 0.434 44 P HA -0.217 nan 4.420 nan 0.000 0.216 44 P C 1.209 178.501 177.300 -0.014 0.000 1.153 44 P CA 1.095 64.181 63.100 -0.024 0.000 0.858 44 P CB 0.109 31.793 31.700 -0.027 0.000 0.789 45 E N -0.733 119.443 120.200 -0.040 0.000 2.268 45 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 45 E C 1.948 178.519 176.600 -0.049 0.000 0.995 45 E CA 0.920 57.288 56.400 -0.052 0.000 0.836 45 E CB -1.354 28.302 29.700 -0.074 0.000 0.763 45 E HN 0.290 nan 8.360 nan 0.000 0.491 46 F N 2.401 122.251 119.950 -0.166 0.000 2.113 46 F HA -0.037 4.489 4.527 -0.000 0.000 0.297 46 F C 2.516 178.233 175.800 -0.138 0.000 1.103 46 F CA 1.429 59.319 58.000 -0.183 0.000 1.248 46 F CB 0.067 38.954 39.000 -0.188 0.000 0.999 46 F HN -0.164 nan 8.300 nan 0.000 0.475 47 R N 0.210 120.816 120.500 0.176 0.000 2.073 47 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 47 R C 2.209 178.485 176.300 -0.041 0.000 1.134 47 R CA 1.760 57.919 56.100 0.098 0.000 0.952 47 R CB -0.791 29.581 30.300 0.119 0.000 0.850 47 R HN 0.413 nan 8.270 nan 0.000 0.433 48 E N 0.306 120.475 120.200 -0.051 0.000 2.049 48 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 48 E C 1.625 178.149 176.600 -0.126 0.000 1.007 48 E CA 2.168 58.523 56.400 -0.073 0.000 0.809 48 E CB 0.056 29.718 29.700 -0.064 0.000 0.749 48 E HN 0.236 nan 8.360 nan 0.000 0.450 49 T N 0.076 114.513 114.554 -0.196 0.000 2.788 49 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 49 T C 1.840 176.356 174.700 -0.307 0.000 1.044 49 T CA 1.264 63.211 62.100 -0.255 0.000 1.139 49 T CB -0.197 68.478 68.868 -0.321 0.000 0.867 49 T HN 0.009 nan 8.240 nan 0.000 0.454 50 R N 1.505 121.770 120.500 -0.391 0.000 2.189 50 R HA 0.253 4.593 4.340 -0.000 0.000 0.218 50 R C 2.132 178.341 176.300 -0.151 0.000 1.074 50 R CA 0.763 56.653 56.100 -0.350 0.000 0.991 50 R CB -0.787 29.269 30.300 -0.406 0.000 0.883 50 R HN 0.367 nan 8.270 nan 0.000 0.457 51 A N -0.236 122.519 122.820 -0.109 0.000 2.239 51 A HA 0.108 4.428 4.320 -0.000 0.000 0.209 51 A C 2.084 179.634 177.584 -0.057 0.000 1.171 51 A CA 1.037 53.042 52.037 -0.053 0.000 0.768 51 A CB -0.595 18.384 19.000 -0.036 0.000 0.790 51 A HN 0.346 nan 8.150 nan 0.000 0.478 52 A N -1.347 121.421 122.820 -0.087 0.000 1.948 52 A HA -0.088 4.231 4.320 -0.000 0.000 0.220 52 A C 1.651 179.204 177.584 -0.052 0.000 1.177 52 A CA 1.991 53.983 52.037 -0.075 0.000 0.636 52 A CB -0.161 18.779 19.000 -0.100 0.000 0.815 52 A HN 0.670 nan 8.150 nan 0.000 0.449 53 Q N -2.908 116.865 119.800 -0.045 0.000 2.582 53 Q HA 0.267 4.606 4.340 -0.000 0.000 0.387 53 Q C -1.635 174.373 176.000 0.014 0.000 0.760 53 Q CA -0.427 55.368 55.803 -0.014 0.000 0.849 53 Q CB 0.733 29.464 28.738 -0.011 0.000 2.442 53 Q HN 0.257 nan 8.270 nan 0.000 0.264 54 D N 0.371 120.800 120.400 0.049 0.000 2.473 54 D HA 0.355 4.995 4.640 -0.000 0.000 0.253 54 D C -0.633 175.792 176.300 0.208 0.000 1.233 54 D CA -0.328 53.742 54.000 0.117 0.000 0.908 54 D CB 0.939 41.806 40.800 0.113 0.000 1.170 54 D HN 0.466 nan 8.370 nan 0.000 0.558 55 F N 1.594 121.567 119.950 0.039 0.000 2.458 55 F HA -0.506 4.020 4.527 -0.000 0.000 0.216 55 F C 1.437 177.234 175.800 -0.005 0.000 1.413 55 F CA 1.844 59.861 58.000 0.028 0.000 1.971 55 F CB -0.776 38.262 39.000 0.064 0.000 0.479 55 F HN 0.489 nan 8.300 nan 0.000 0.278 56 F N 0.076 120.215 119.950 0.315 0.000 2.373 56 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 56 F C 2.521 178.315 175.800 -0.010 0.000 1.080 56 F CA 1.509 59.590 58.000 0.136 0.000 1.417 56 F CB -0.610 38.473 39.000 0.138 0.000 1.070 56 F HN 0.118 nan 8.300 nan 0.000 0.546 57 S N -1.487 114.298 115.700 0.142 0.000 2.524 57 S HA -0.039 4.431 4.470 -0.000 0.000 0.216 57 S C 1.896 176.474 174.600 -0.036 0.000 0.987 57 S CA 1.098 59.319 58.200 0.033 0.000 0.909 57 S CB -0.137 63.090 63.200 0.044 0.000 0.781 57 S HN 0.292 nan 8.310 nan 0.000 0.521 58 T N -0.314 114.200 114.554 -0.066 0.000 3.039 58 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 58 T C 1.866 176.485 174.700 -0.135 0.000 1.052 58 T CA 0.314 62.342 62.100 -0.120 0.000 1.125 58 T CB -0.462 68.305 68.868 -0.168 0.000 0.908 58 T HN 0.392 nan 8.240 nan 0.000 0.473 59 C N 1.989 121.195 119.300 -0.156 0.000 2.396 59 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 59 C C 2.763 177.716 174.990 -0.062 0.000 1.231 59 C CA 0.714 59.674 59.018 -0.096 0.000 1.775 59 C CB -0.928 26.720 27.740 -0.153 0.000 2.036 59 C HN 0.435 nan 8.230 nan 0.000 0.484 60 R N 0.600 120.957 120.500 -0.239 0.000 2.293 60 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 60 R C 1.103 177.313 176.300 -0.149 0.000 1.091 60 R CA 0.545 56.379 56.100 -0.444 0.000 1.004 60 R CB -0.550 29.525 30.300 -0.375 0.000 0.865 60 R HN 0.548 nan 8.270 nan 0.000 0.469 61 S N 1.000 116.668 115.700 -0.053 0.000 2.410 61 S HA 0.261 4.731 4.470 -0.000 0.000 0.304 61 S C -1.860 172.766 174.600 0.044 0.000 1.095 61 S CA -1.827 56.368 58.200 -0.008 0.000 1.089 61 S CB 1.601 64.778 63.200 -0.039 0.000 0.968 61 S HN -0.138 nan 8.310 nan 0.000 0.480 62 P HA -0.144 nan 4.420 nan 0.000 0.216 62 P C 1.346 178.674 177.300 0.045 0.000 1.154 62 P CA 1.128 64.278 63.100 0.083 0.000 0.865 62 P CB 0.168 31.919 31.700 0.085 0.000 0.789 63 E N -0.703 119.509 120.200 0.020 0.000 2.110 63 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 63 E C 2.050 178.633 176.600 -0.028 0.000 0.988 63 E CA 1.423 57.822 56.400 -0.002 0.000 0.804 63 E CB -0.730 28.963 29.700 -0.011 0.000 0.745 63 E HN 0.172 nan 8.360 nan 0.000 0.458 64 A N 0.890 123.683 122.820 -0.045 0.000 1.858 64 A HA -0.187 4.132 4.320 -0.000 0.000 0.216 64 A C 2.644 180.164 177.584 -0.107 0.000 1.190 64 A CA 1.506 53.483 52.037 -0.100 0.000 0.617 64 A CB -0.942 17.986 19.000 -0.121 0.000 0.827 64 A HN 0.349 nan 8.150 nan 0.000 0.443 65 C N -1.637 117.651 119.300 -0.021 0.000 2.429 65 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 65 C C 2.948 177.972 174.990 0.056 0.000 1.262 65 C CA 0.527 59.586 59.018 0.067 0.000 1.733 65 C CB -1.780 26.059 27.740 0.165 0.000 2.010 65 C HN 0.783 nan 8.230 nan 0.000 0.483 66 C N 1.357 120.678 119.300 0.035 0.000 2.393 66 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 66 C C 2.809 177.795 174.990 -0.006 0.000 1.215 66 C CA 2.235 61.268 59.018 0.025 0.000 1.743 66 C CB -1.346 26.407 27.740 0.022 0.000 2.044 66 C HN 0.692 nan 8.230 nan 0.000 0.464 67 E N 0.445 120.617 120.200 -0.046 0.000 2.077 67 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 67 E C 2.002 178.543 176.600 -0.099 0.000 0.989 67 E CA 1.753 58.108 56.400 -0.075 0.000 0.800 67 E CB -0.603 29.036 29.700 -0.102 0.000 0.746 67 E HN 0.727 nan 8.360 nan 0.000 0.452 68 L N 0.022 121.147 121.223 -0.164 0.000 2.046 68 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 68 L C 2.517 179.376 176.870 -0.019 0.000 1.077 68 L CA 1.707 56.416 54.840 -0.219 0.000 0.747 68 L CB -0.748 40.941 42.059 -0.617 0.000 0.896 68 L HN 0.213 nan 8.230 nan 0.000 0.432 69 T N 0.360 114.945 114.554 0.053 0.000 2.684 69 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 69 T C 1.928 176.667 174.700 0.065 0.000 1.036 69 T CA 1.343 63.509 62.100 0.111 0.000 1.148 69 T CB -0.248 68.684 68.868 0.107 0.000 0.863 69 T HN 0.213 nan 8.240 nan 0.000 0.436 70 L N 0.533 121.771 121.223 0.025 0.000 2.156 70 L HA -0.062 4.277 4.340 -0.000 0.000 0.208 70 L C 2.846 179.716 176.870 -0.000 0.000 1.095 70 L CA 0.968 55.814 54.840 0.009 0.000 0.770 70 L CB -0.672 41.383 42.059 -0.007 0.000 0.914 70 L HN 0.299 nan 8.230 nan 0.000 0.439 71 Q N 0.376 120.169 119.800 -0.012 0.000 2.047 71 Q HA -0.234 4.106 4.340 -0.000 0.000 0.211 71 Q C -0.440 175.536 176.000 -0.040 0.000 1.005 71 Q CA 2.400 58.182 55.803 -0.036 0.000 0.866 71 Q CB -1.292 27.422 28.738 -0.040 0.000 0.938 71 Q HN 0.424 nan 8.270 nan 0.000 0.414 72 P HA -0.183 nan 4.420 nan 0.000 0.217 72 P C 1.160 178.489 177.300 0.047 0.000 1.148 72 P CA 1.192 64.352 63.100 0.100 0.000 0.828 72 P CB -0.075 31.787 31.700 0.270 0.000 0.783 73 L N -0.598 120.653 121.223 0.047 0.000 2.275 73 L HA -0.042 4.298 4.340 -0.000 0.000 0.215 73 L C 2.570 179.424 176.870 -0.027 0.000 1.119 73 L CA 1.494 56.357 54.840 0.039 0.000 0.790 73 L CB -1.135 40.945 42.059 0.036 0.000 0.919 73 L HN 0.040 nan 8.230 nan 0.000 0.443 74 R N -0.993 119.458 120.500 -0.081 0.000 2.153 74 R HA -0.028 4.311 4.340 -0.000 0.000 0.218 74 R C 2.251 178.432 176.300 -0.199 0.000 1.072 74 R CA 0.448 56.482 56.100 -0.110 0.000 0.990 74 R CB 0.057 30.296 30.300 -0.101 0.000 0.889 74 R HN 0.314 nan 8.270 nan 0.000 0.452 75 R N -0.210 120.062 120.500 -0.381 0.000 2.090 75 R HA 0.109 4.449 4.340 -0.000 0.000 0.219 75 R C 0.080 175.967 176.300 -0.689 0.000 1.100 75 R CA 0.886 56.527 56.100 -0.765 0.000 0.991 75 R CB 0.304 29.683 30.300 -1.535 0.000 0.893 75 R HN 0.056 nan 8.270 nan 0.000 0.443 76 F N 0.463 120.449 119.950 0.059 0.000 2.576 76 F HA 0.355 4.882 4.527 -0.000 0.000 0.313 76 F C -2.028 173.812 175.800 0.067 0.000 1.078 76 F CA -2.843 55.194 58.000 0.062 0.000 0.921 76 F CB 1.607 40.651 39.000 0.075 0.000 1.232 76 F HN -0.185 nan 8.300 nan 0.000 0.459 77 P HA 0.151 nan 4.420 nan 0.000 0.226 77 P C -0.506 176.951 177.300 0.262 0.000 1.783 77 P CA 0.224 63.446 63.100 0.204 0.000 0.980 77 P CB -0.193 31.610 31.700 0.170 0.000 1.967 78 L N 1.103 122.463 121.223 0.229 0.000 2.461 78 L HA 0.111 4.451 4.340 -0.000 0.000 0.272 78 L C 1.550 178.530 176.870 0.184 0.000 1.197 78 L CA 0.296 55.262 54.840 0.210 0.000 0.836 78 L CB 0.395 42.582 42.059 0.212 0.000 1.105 78 L HN 0.076 nan 8.230 nan 0.000 0.477 79 D N 1.917 122.439 120.400 0.204 0.000 2.339 79 D HA 0.229 4.869 4.640 -0.000 0.000 0.217 79 D C 0.151 176.445 176.300 -0.009 0.000 1.050 79 D CA 0.362 54.468 54.000 0.178 0.000 0.856 79 D CB 0.748 41.730 40.800 0.303 0.000 0.922 79 D HN 0.549 nan 8.370 nan 0.000 0.518 80 A N 0.179 122.919 122.820 -0.133 0.000 2.612 80 A HA 0.686 5.006 4.320 -0.000 0.000 0.293 80 A C -1.417 176.000 177.584 -0.279 0.000 1.075 80 A CA -0.584 51.210 52.037 -0.405 0.000 0.680 80 A CB 1.593 19.893 19.000 -1.168 0.000 1.279 80 A HN 0.026 nan 8.150 nan 0.000 0.411 81 A N 0.523 123.173 122.820 -0.283 0.000 2.325 81 A HA 0.792 5.112 4.320 -0.000 0.000 0.333 81 A C -0.591 176.824 177.584 -0.282 0.000 1.155 81 A CA -0.415 51.518 52.037 -0.173 0.000 0.814 81 A CB 0.671 19.623 19.000 -0.080 0.000 1.206 81 A HN 1.488 nan 8.150 nan 0.000 0.482 82 I N 2.137 122.610 120.570 -0.162 0.000 2.433 82 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 82 I C -0.608 175.553 176.117 0.072 0.000 1.001 82 I CA -1.169 60.050 61.300 -0.134 0.000 1.119 82 I CB 1.176 39.054 38.000 -0.203 0.000 1.289 82 I HN 0.694 nan 8.210 nan 0.000 0.438 83 I N 7.596 128.245 120.570 0.131 0.000 2.775 83 I HA -0.031 4.139 4.170 -0.000 0.000 0.290 83 I C -0.695 175.615 176.117 0.320 0.000 1.203 83 I CA 0.580 61.998 61.300 0.197 0.000 1.433 83 I CB 0.204 38.290 38.000 0.144 0.000 1.354 83 I HN 0.435 nan 8.210 nan 0.000 0.579 84 F N 7.949 127.995 119.950 0.161 0.000 2.472 84 F HA 0.482 5.009 4.527 -0.000 0.000 0.364 84 F C 0.392 176.295 175.800 0.172 0.000 1.090 84 F CA 0.701 58.805 58.000 0.174 0.000 1.188 84 F CB 0.410 39.473 39.000 0.105 0.000 1.105 84 F HN 0.580 nan 8.300 nan 0.000 0.536 85 S N 3.890 119.314 115.700 -0.460 0.000 2.800 85 S HA 0.395 4.864 4.470 -0.000 0.000 0.293 85 S C -2.074 172.338 174.600 -0.314 0.000 1.209 85 S CA -0.771 57.235 58.200 -0.323 0.000 0.884 85 S CB 1.236 64.363 63.200 -0.122 0.000 1.244 85 S HN 0.718 nan 8.310 nan 0.000 0.540 86 D N 0.429 120.772 120.400 -0.095 0.000 2.732 86 D HA 0.390 5.030 4.640 -0.000 0.000 0.229 86 D C 1.165 177.524 176.300 0.098 0.000 1.152 86 D CA -0.450 53.575 54.000 0.042 0.000 0.854 86 D CB 1.670 42.486 40.800 0.027 0.000 1.590 86 D HN 0.605 nan 8.370 nan 0.000 0.468 87 I N 0.076 120.723 120.570 0.129 0.000 2.756 87 I HA -0.077 4.093 4.170 -0.000 0.000 0.262 87 I C 1.352 177.496 176.117 0.045 0.000 1.225 87 I CA 0.742 62.104 61.300 0.103 0.000 1.472 87 I CB -0.088 37.968 38.000 0.093 0.000 1.094 87 I HN 0.245 nan 8.210 nan 0.000 0.454 88 L N 1.543 122.802 121.223 0.061 0.000 2.552 88 L HA -0.029 4.311 4.340 -0.000 0.000 0.227 88 L C 2.632 179.626 176.870 0.206 0.000 1.146 88 L CA 0.504 55.414 54.840 0.117 0.000 0.858 88 L CB -0.436 41.635 42.059 0.021 0.000 0.969 88 L HN 0.375 nan 8.230 nan 0.000 0.451 89 V N -4.150 115.896 119.914 0.219 0.000 2.594 89 V HA -0.156 3.963 4.120 -0.000 0.000 0.253 89 V C 2.188 178.254 176.094 -0.047 0.000 1.069 89 V CA 1.173 63.574 62.300 0.168 0.000 1.082 89 V CB -0.623 31.251 31.823 0.085 0.000 0.680 89 V HN 0.175 nan 8.190 nan 0.000 0.469 90 V N 0.866 120.713 119.914 -0.112 0.000 2.255 90 V HA -0.041 4.079 4.120 -0.000 0.000 0.243 90 V C 0.556 176.611 176.094 -0.065 0.000 1.038 90 V CA 2.514 64.713 62.300 -0.168 0.000 1.008 90 V CB -1.783 29.962 31.823 -0.130 0.000 0.645 90 V HN 0.494 nan 8.190 nan 0.000 0.449 91 P HA -0.221 nan 4.420 nan 0.000 0.215 91 P C 1.736 179.037 177.300 0.001 0.000 1.153 91 P CA 1.633 64.721 63.100 -0.019 0.000 0.853 91 P CB -0.052 31.680 31.700 0.055 0.000 0.788 92 Q N -0.160 119.691 119.800 0.085 0.000 2.045 92 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 92 Q C 2.079 178.076 176.000 -0.004 0.000 0.991 92 Q CA 2.253 58.079 55.803 0.038 0.000 0.851 92 Q CB -0.791 27.940 28.738 -0.013 0.000 0.911 92 Q HN 0.110 nan 8.270 nan 0.000 0.418 93 A N 0.326 123.133 122.820 -0.022 0.000 2.070 93 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 93 A C 1.892 179.450 177.584 -0.044 0.000 1.159 93 A CA 0.956 52.968 52.037 -0.043 0.000 0.656 93 A CB -0.487 18.448 19.000 -0.107 0.000 0.800 93 A HN 0.488 nan 8.150 nan 0.000 0.453 94 L N -1.696 119.496 121.223 -0.052 0.000 2.552 94 L HA 0.138 4.478 4.340 -0.000 0.000 0.227 94 L C 1.633 178.472 176.870 -0.051 0.000 1.146 94 L CA 0.674 55.483 54.840 -0.052 0.000 0.858 94 L CB 0.007 42.025 42.059 -0.069 0.000 0.969 94 L HN 0.606 nan 8.230 nan 0.000 0.451 95 G N -0.766 108.007 108.800 -0.045 0.000 2.168 95 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.197 95 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.197 95 G C 0.197 175.066 174.900 -0.052 0.000 0.997 95 G CA -0.510 44.566 45.100 -0.040 0.000 0.658 95 G HN 0.129 nan 8.290 nan 0.000 0.513 96 M N 1.281 120.838 119.600 -0.071 0.000 2.216 96 M HA 0.387 4.867 4.480 -0.000 0.000 0.356 96 M C -0.019 176.312 176.300 0.052 0.000 1.205 96 M CA -0.327 54.929 55.300 -0.073 0.000 1.122 96 M CB 0.925 33.336 32.600 -0.315 0.000 1.571 96 M HN -0.023 nan 8.290 nan 0.000 0.464 97 E N 2.514 122.755 120.200 0.068 0.000 2.259 97 E HA 0.334 4.684 4.350 -0.000 0.000 0.281 97 E C -0.983 175.668 176.600 0.085 0.000 1.027 97 E CA -0.249 56.178 56.400 0.045 0.000 0.838 97 E CB 1.527 31.236 29.700 0.016 0.000 1.066 97 E HN 0.345 nan 8.360 nan 0.000 0.401 98 V N 2.931 122.778 119.914 -0.112 0.000 2.483 98 V HA 0.375 4.495 4.120 -0.000 0.000 0.295 98 V C 0.366 176.323 176.094 -0.229 0.000 1.035 98 V CA -0.680 61.431 62.300 -0.315 0.000 0.896 98 V CB 1.793 33.164 31.823 -0.753 0.000 0.986 98 V HN 0.780 nan 8.190 nan 0.000 0.447 99 T N 2.142 116.590 114.554 -0.177 0.000 2.885 99 T HA 0.699 5.049 4.350 -0.000 0.000 0.285 99 T C -0.516 174.132 174.700 -0.086 0.000 1.019 99 T CA -0.760 61.283 62.100 -0.095 0.000 1.010 99 T CB 1.659 70.498 68.868 -0.049 0.000 1.022 99 T HN 0.460 nan 8.240 nan 0.000 0.466 100 M N 4.188 123.777 119.600 -0.019 0.000 2.385 100 M HA 0.413 4.893 4.480 -0.000 0.000 0.346 100 M C -1.131 175.174 176.300 0.009 0.000 1.180 100 M CA -1.467 53.843 55.300 0.016 0.000 1.154 100 M CB -0.452 32.218 32.600 0.117 0.000 1.251 100 M HN 0.549 nan 8.290 nan 0.000 0.430 101 V N 6.733 126.638 119.914 -0.015 0.000 2.540 101 V HA 0.170 4.290 4.120 -0.000 0.000 0.297 101 V C -1.911 174.187 176.094 0.007 0.000 1.024 101 V CA -1.014 61.282 62.300 -0.005 0.000 1.105 101 V CB -0.390 31.425 31.823 -0.013 0.000 0.938 101 V HN 0.654 nan 8.190 nan 0.000 0.482 102 P HA 0.171 nan 4.420 nan 0.000 0.257 102 P C 1.027 178.342 177.300 0.024 0.000 1.227 102 P CA 1.445 64.560 63.100 0.025 0.000 0.981 102 P CB 0.028 31.741 31.700 0.023 0.000 1.044 103 G N 2.967 111.784 108.800 0.030 0.000 2.225 103 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 103 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 103 G C 1.172 176.081 174.900 0.016 0.000 0.988 103 G CA 0.367 45.484 45.100 0.029 0.000 0.625 103 G HN 0.482 nan 8.290 nan 0.000 0.527 104 K N 0.934 121.337 120.400 0.005 0.000 2.361 104 K HA 0.503 4.822 4.320 -0.000 0.000 0.194 104 K C 1.294 177.882 176.600 -0.019 0.000 1.032 104 K CA 1.651 57.937 56.287 -0.002 0.000 1.048 104 K CB -0.055 32.445 32.500 -0.000 0.000 0.842 104 K HN 1.895 nan 8.250 nan 0.000 0.526 105 G N 1.005 109.778 108.800 -0.044 0.000 2.662 105 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 105 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 105 G C -2.781 172.045 174.900 -0.124 0.000 1.271 105 G CA -0.656 44.383 45.100 -0.103 0.000 0.816 105 G HN 0.027 nan 8.290 nan 0.000 0.608 106 P HA 0.466 nan 4.420 nan 0.000 0.268 106 P C -0.191 176.957 177.300 -0.252 0.000 1.205 106 P CA 0.313 63.306 63.100 -0.177 0.000 0.771 106 P CB 1.653 33.312 31.700 -0.067 0.000 0.858 107 S N 1.839 117.336 115.700 -0.339 0.000 2.537 107 S HA 0.603 5.073 4.470 -0.000 0.000 0.270 107 S C -1.594 172.757 174.600 -0.414 0.000 1.142 107 S CA -0.631 57.381 58.200 -0.314 0.000 0.870 107 S CB 0.479 63.606 63.200 -0.123 0.000 1.112 107 S HN 0.163 nan 8.310 nan 0.000 0.466 108 F N 4.256 124.183 119.950 -0.038 0.000 2.350 108 F HA 0.373 4.899 4.527 -0.000 0.000 0.365 108 F C -1.150 174.628 175.800 -0.036 0.000 1.122 108 F CA -1.766 56.202 58.000 -0.054 0.000 1.139 108 F CB 1.466 40.435 39.000 -0.051 0.000 1.220 108 F HN 0.465 nan 8.300 nan 0.000 0.499 109 P HA -0.118 nan 4.420 nan 0.000 0.223 109 P C -0.223 177.117 177.300 0.066 0.000 1.151 109 P CA 1.133 64.271 63.100 0.063 0.000 0.787 109 P CB 0.320 32.038 31.700 0.031 0.000 0.788 110 E N 1.103 121.351 120.200 0.080 0.000 2.916 110 E HA 0.264 4.614 4.350 -0.000 0.000 0.217 110 E C -2.304 174.310 176.600 0.022 0.000 1.100 110 E CA -2.152 54.275 56.400 0.044 0.000 0.891 110 E CB 0.285 29.999 29.700 0.023 0.000 1.311 110 E HN 0.336 nan 8.360 nan 0.000 0.421 111 P HA -0.003 nan 4.420 nan 0.000 0.271 111 P C -0.170 177.090 177.300 -0.066 0.000 1.233 111 P CA -0.273 62.804 63.100 -0.039 0.000 0.789 111 P CB 0.992 32.697 31.700 0.008 0.000 0.951 112 L N 2.268 123.404 121.223 -0.145 0.000 2.410 112 L HA 0.131 4.470 4.340 -0.000 0.000 0.273 112 L C 1.813 178.744 176.870 0.103 0.000 1.144 112 L CA 0.019 54.820 54.840 -0.064 0.000 0.863 112 L CB 0.162 42.094 42.059 -0.211 0.000 1.140 112 L HN 0.360 nan 8.230 nan 0.000 0.463 113 R N 1.606 122.257 120.500 0.251 0.000 2.412 113 R HA 0.179 4.519 4.340 -0.000 0.000 0.212 113 R C 0.050 176.561 176.300 0.350 0.000 0.878 113 R CA 0.309 56.607 56.100 0.330 0.000 1.022 113 R CB 0.691 31.085 30.300 0.157 0.000 1.265 113 R HN 0.832 nan 8.270 nan 0.000 0.620 114 E N -0.949 119.412 120.200 0.267 0.000 2.456 114 E HA 0.229 4.579 4.350 -0.000 0.000 0.276 114 E C -0.051 176.563 176.600 0.024 0.000 0.981 114 E CA -0.680 55.713 56.400 -0.013 0.000 0.814 114 E CB 1.211 30.879 29.700 -0.054 0.000 1.382 114 E HN -0.143 nan 8.360 nan 0.000 0.459 115 E N 0.203 120.289 120.200 -0.189 0.000 2.160 115 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 115 E C 1.824 178.461 176.600 0.062 0.000 0.991 115 E CA 1.594 57.957 56.400 -0.061 0.000 0.810 115 E CB 0.123 29.750 29.700 -0.121 0.000 0.742 115 E HN 0.595 nan 8.360 nan 0.000 0.466 116 Q N 0.004 119.824 119.800 0.034 0.000 2.224 116 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 116 Q C 1.195 177.230 176.000 0.059 0.000 0.970 116 Q CA 1.331 57.156 55.803 0.038 0.000 0.865 116 Q CB 0.179 28.928 28.738 0.018 0.000 0.922 116 Q HN 0.314 nan 8.270 nan 0.000 0.445 117 D N 0.495 120.950 120.400 0.091 0.000 2.311 117 D HA -0.149 4.491 4.640 -0.000 0.000 0.212 117 D C 1.658 177.995 176.300 0.061 0.000 0.972 117 D CA 0.697 54.744 54.000 0.079 0.000 0.887 117 D CB -0.041 40.822 40.800 0.106 0.000 0.915 117 D HN 0.362 nan 8.370 nan 0.000 0.497 118 L N 0.564 121.845 121.223 0.096 0.000 2.265 118 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 118 L C 2.143 179.032 176.870 0.032 0.000 1.117 118 L CA 0.888 55.767 54.840 0.065 0.000 0.782 118 L CB -0.369 41.753 42.059 0.105 0.000 0.914 118 L HN -0.010 nan 8.230 nan 0.000 0.441 119 E N 0.284 120.504 120.200 0.033 0.000 2.265 119 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 119 E C 2.128 178.732 176.600 0.008 0.000 0.996 119 E CA 0.679 57.091 56.400 0.020 0.000 0.832 119 E CB 0.058 29.770 29.700 0.021 0.000 0.756 119 E HN 0.523 nan 8.360 nan 0.000 0.491 120 R N 0.346 120.846 120.500 -0.000 0.000 2.235 120 R HA 0.034 4.374 4.340 -0.000 0.000 0.213 120 R C 0.691 176.978 176.300 -0.022 0.000 1.059 120 R CA 0.333 56.425 56.100 -0.013 0.000 0.997 120 R CB -0.272 30.014 30.300 -0.023 0.000 0.884 120 R HN 0.104 nan 8.270 nan 0.000 0.462 121 L N 2.039 123.248 121.223 -0.024 0.000 2.397 121 L HA 0.196 4.536 4.340 -0.000 0.000 0.271 121 L C 0.713 177.574 176.870 -0.015 0.000 1.148 121 L CA -0.433 54.389 54.840 -0.032 0.000 0.825 121 L CB 0.516 42.552 42.059 -0.039 0.000 1.117 121 L HN 0.005 nan 8.230 nan 0.000 0.456 122 R N 1.035 121.525 120.500 -0.017 0.000 2.738 122 R HA 0.011 4.351 4.340 -0.000 0.000 0.268 122 R C -0.017 176.284 176.300 0.002 0.000 1.062 122 R CA -0.493 55.604 56.100 -0.005 0.000 1.158 122 R CB 0.344 30.641 30.300 -0.005 0.000 1.046 122 R HN 0.556 nan 8.270 nan 0.000 0.493 123 D N 2.890 123.297 120.400 0.011 0.000 2.487 123 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 123 D C -1.354 174.958 176.300 0.021 0.000 1.154 123 D CA -1.234 52.777 54.000 0.019 0.000 0.876 123 D CB 1.078 41.892 40.800 0.023 0.000 1.161 123 D HN 0.266 nan 8.370 nan 0.000 0.478 124 P HA -0.148 nan 4.420 nan 0.000 0.221 124 P C 0.796 178.122 177.300 0.043 0.000 1.145 124 P CA 0.892 64.010 63.100 0.031 0.000 0.795 124 P CB 0.304 32.027 31.700 0.039 0.000 0.775 125 E N -0.142 120.084 120.200 0.044 0.000 2.333 125 E HA -0.065 4.285 4.350 -0.000 0.000 0.198 125 E C 1.660 178.292 176.600 0.053 0.000 1.007 125 E CA 1.194 57.625 56.400 0.051 0.000 0.845 125 E CB -0.096 29.631 29.700 0.044 0.000 0.766 125 E HN 0.299 nan 8.360 nan 0.000 0.507 126 V N -3.263 116.677 119.914 0.043 0.000 3.621 126 V HA 0.068 4.188 4.120 -0.000 0.000 0.285 126 V C 1.922 178.039 176.094 0.039 0.000 1.346 126 V CA 0.054 62.380 62.300 0.043 0.000 1.104 126 V CB 0.258 32.100 31.823 0.032 0.000 0.913 126 V HN -0.088 nan 8.190 nan 0.000 0.432 127 V N 1.613 121.547 119.914 0.033 0.000 2.343 127 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 127 V C 3.132 179.230 176.094 0.008 0.000 1.051 127 V CA 2.493 64.793 62.300 -0.001 0.000 1.036 127 V CB -1.064 30.745 31.823 -0.023 0.000 0.654 127 V HN 0.666 nan 8.190 nan 0.000 0.451 128 A N 0.476 123.363 122.820 0.113 0.000 1.908 128 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 128 A C 2.582 180.283 177.584 0.194 0.000 1.181 128 A CA 2.436 54.630 52.037 0.263 0.000 0.627 128 A CB -0.828 18.395 19.000 0.371 0.000 0.818 128 A HN 0.675 nan 8.150 nan 0.000 0.445 129 S N -0.581 115.203 115.700 0.140 0.000 2.423 129 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 129 S C 1.565 176.193 174.600 0.046 0.000 1.014 129 S CA 1.369 59.636 58.200 0.110 0.000 0.965 129 S CB -0.333 62.921 63.200 0.091 0.000 0.785 129 S HN 0.498 nan 8.310 nan 0.000 0.495 130 E N 1.183 121.390 120.200 0.012 0.000 2.268 130 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 130 E C 1.300 177.887 176.600 -0.022 0.000 0.995 130 E CA 0.636 57.040 56.400 0.005 0.000 0.836 130 E CB -0.240 29.456 29.700 -0.007 0.000 0.763 130 E HN 0.606 nan 8.360 nan 0.000 0.491 131 L N -0.177 120.921 121.223 -0.210 0.000 2.872 131 L HA 0.244 4.584 4.340 -0.000 0.000 0.245 131 L C 1.861 178.233 176.870 -0.831 0.000 1.211 131 L CA -0.145 54.369 54.840 -0.544 0.000 1.013 131 L CB 0.305 41.943 42.059 -0.703 0.000 1.326 131 L HN 0.042 nan 8.230 nan 0.000 0.525 132 G N 0.975 109.552 108.800 -0.372 0.000 2.505 132 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.220 132 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.220 132 G C 1.367 176.183 174.900 -0.141 0.000 1.145 132 G CA 1.524 46.522 45.100 -0.170 0.000 0.761 132 G HN 0.623 nan 8.290 nan 0.000 0.571 133 Y N 0.310 120.542 120.300 -0.114 0.000 2.207 133 Y HA -0.030 4.520 4.550 -0.000 0.000 0.287 133 Y C 2.478 178.349 175.900 -0.050 0.000 1.156 133 Y CA 1.066 59.134 58.100 -0.053 0.000 1.182 133 Y CB -0.828 37.607 38.460 -0.042 0.000 0.979 133 Y HN 0.030 nan 8.280 nan 0.000 0.521 134 V N 0.995 120.435 119.914 -0.790 0.000 2.307 134 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 134 V C 2.319 178.344 176.094 -0.116 0.000 1.045 134 V CA 2.126 64.132 62.300 -0.489 0.000 1.024 134 V CB -1.013 30.474 31.823 -0.560 0.000 0.651 134 V HN 0.533 nan 8.190 nan 0.000 0.449 135 F N 0.173 120.079 119.950 -0.072 0.000 2.095 135 F HA -0.299 4.228 4.527 -0.000 0.000 0.298 135 F C 2.742 178.552 175.800 0.016 0.000 1.104 135 F CA 1.605 59.593 58.000 -0.020 0.000 1.232 135 F CB -0.499 38.505 39.000 0.007 0.000 0.987 135 F HN 0.148 nan 8.300 nan 0.000 0.475 136 Q N 0.434 120.351 119.800 0.195 0.000 2.135 136 Q HA -0.182 4.157 4.340 -0.000 0.000 0.204 136 Q C 2.464 178.537 176.000 0.121 0.000 0.981 136 Q CA 1.453 57.346 55.803 0.149 0.000 0.856 136 Q CB -0.398 28.418 28.738 0.130 0.000 0.902 136 Q HN 0.466 nan 8.270 nan 0.000 0.425 137 A N 0.423 123.304 122.820 0.102 0.000 1.969 137 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 137 A C 1.976 179.607 177.584 0.079 0.000 1.169 137 A CA 0.935 53.026 52.037 0.089 0.000 0.635 137 A CB -0.429 18.625 19.000 0.091 0.000 0.810 137 A HN 0.299 nan 8.150 nan 0.000 0.445 138 I N -0.769 119.851 120.570 0.084 0.000 2.233 138 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 138 I C 2.601 178.747 176.117 0.047 0.000 1.093 138 I CA 1.635 62.966 61.300 0.052 0.000 1.380 138 I CB -0.637 37.392 38.000 0.049 0.000 1.067 138 I HN 0.219 nan 8.210 nan 0.000 0.413 139 T N 1.367 115.992 114.554 0.117 0.000 2.684 139 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 139 T C 1.869 176.684 174.700 0.191 0.000 1.036 139 T CA 1.482 63.709 62.100 0.213 0.000 1.148 139 T CB -0.394 68.620 68.868 0.242 0.000 0.863 139 T HN 0.118 nan 8.240 nan 0.000 0.436 140 L N 1.038 122.338 121.223 0.129 0.000 1.989 140 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 140 L C 2.661 179.575 176.870 0.073 0.000 1.071 140 L CA 1.968 56.866 54.840 0.097 0.000 0.749 140 L CB -1.342 40.762 42.059 0.075 0.000 0.890 140 L HN 0.239 nan 8.230 nan 0.000 0.431 141 T N -0.946 113.639 114.554 0.052 0.000 2.720 141 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 141 T C 1.981 176.683 174.700 0.004 0.000 1.037 141 T CA 1.695 63.810 62.100 0.026 0.000 1.144 141 T CB -0.287 68.594 68.868 0.022 0.000 0.864 141 T HN 0.243 nan 8.240 nan 0.000 0.444 142 R N 1.067 121.553 120.500 -0.023 0.000 2.081 142 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 142 R C 2.505 178.821 176.300 0.027 0.000 1.131 142 R CA 1.344 57.385 56.100 -0.098 0.000 0.960 142 R CB -0.385 29.692 30.300 -0.371 0.000 0.856 142 R HN 0.282 nan 8.270 nan 0.000 0.436 143 Q N 0.128 120.009 119.800 0.136 0.000 2.050 143 Q HA -0.094 4.245 4.340 -0.000 0.000 0.202 143 Q C 2.023 178.074 176.000 0.085 0.000 0.980 143 Q CA 1.368 57.269 55.803 0.163 0.000 0.840 143 Q CB -0.155 28.682 28.738 0.164 0.000 0.898 143 Q HN 0.340 nan 8.270 nan 0.000 0.424 144 R N 0.397 120.931 120.500 0.057 0.000 2.115 144 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 144 R C 2.348 178.662 176.300 0.024 0.000 1.100 144 R CA 0.428 56.548 56.100 0.035 0.000 0.980 144 R CB -0.465 29.850 30.300 0.025 0.000 0.875 144 R HN 0.272 nan 8.270 nan 0.000 0.445 145 L N 0.706 121.939 121.223 0.017 0.000 2.275 145 L HA 0.007 4.346 4.340 -0.000 0.000 0.215 145 L C 1.026 177.905 176.870 0.015 0.000 1.119 145 L CA 0.658 55.502 54.840 0.007 0.000 0.790 145 L CB -0.398 41.654 42.059 -0.011 0.000 0.919 145 L HN 0.174 nan 8.230 nan 0.000 0.443 146 A N 0.343 123.181 122.820 0.030 0.000 2.665 146 A HA -0.183 4.137 4.320 -0.000 0.000 0.301 146 A C 1.397 179.002 177.584 0.034 0.000 1.509 146 A CA 0.793 52.854 52.037 0.040 0.000 0.789 146 A CB -2.018 17.002 19.000 0.034 0.000 1.024 146 A HN 0.954 nan 8.150 nan 0.000 0.460 147 G N -1.597 107.219 108.800 0.026 0.000 2.148 147 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.254 147 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.254 147 G C 0.849 175.761 174.900 0.021 0.000 0.981 147 G CA 1.383 46.497 45.100 0.024 0.000 0.670 147 G HN 1.358 nan 8.290 nan 0.000 0.528 148 R N -0.002 120.507 120.500 0.016 0.000 2.097 148 R HA 0.130 4.470 4.340 -0.000 0.000 0.236 148 R C 1.395 177.710 176.300 0.025 0.000 1.135 148 R CA 2.531 58.642 56.100 0.020 0.000 0.934 148 R CB -0.196 30.113 30.300 0.016 0.000 0.846 148 R HN 1.144 nan 8.270 nan 0.000 0.431 149 V N -3.910 116.009 119.914 0.009 0.000 3.159 149 V HA 0.567 4.687 4.120 -0.000 0.000 0.308 149 V C -2.843 173.232 176.094 -0.031 0.000 1.190 149 V CA -2.778 59.525 62.300 0.005 0.000 1.037 149 V CB 1.808 33.629 31.823 -0.003 0.000 1.060 149 V HN 0.015 nan 8.190 nan 0.000 0.437 150 P HA 0.416 nan 4.420 nan 0.000 0.272 150 P C -1.038 176.165 177.300 -0.162 0.000 1.230 150 P CA -0.164 62.904 63.100 -0.055 0.000 0.788 150 P CB 0.517 32.255 31.700 0.064 0.000 0.949 151 L N 2.516 123.649 121.223 -0.150 0.000 2.313 151 L HA 0.465 4.805 4.340 -0.000 0.000 0.283 151 L C -0.852 175.908 176.870 -0.183 0.000 1.013 151 L CA -0.447 54.286 54.840 -0.179 0.000 0.816 151 L CB 0.478 42.453 42.059 -0.140 0.000 1.236 151 L HN 0.201 nan 8.230 nan 0.000 0.419 152 I N 5.089 125.502 120.570 -0.261 0.000 2.315 152 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 152 I C 0.980 177.065 176.117 -0.053 0.000 1.006 152 I CA -0.288 60.883 61.300 -0.215 0.000 1.265 152 I CB 1.247 38.958 38.000 -0.482 0.000 1.387 152 I HN 0.758 nan 8.210 nan 0.000 0.475 153 G N 5.465 114.264 108.800 -0.002 0.000 2.528 153 G HA2 0.673 4.633 3.960 -0.000 0.000 0.289 153 G HA3 0.673 4.633 3.960 -0.000 0.000 0.289 153 G C -0.959 174.062 174.900 0.201 0.000 1.192 153 G CA -0.252 44.875 45.100 0.045 0.000 0.921 153 G HN 0.644 nan 8.290 nan 0.000 0.512 154 F N -1.697 118.265 119.950 0.021 0.000 2.741 154 F HA 0.823 5.350 4.527 -0.000 0.000 0.311 154 F C -0.589 175.325 175.800 0.189 0.000 1.149 154 F CA -0.982 57.115 58.000 0.161 0.000 0.930 154 F CB 1.173 40.392 39.000 0.365 0.000 1.312 154 F HN 1.021 nan 8.300 nan 0.000 0.450 155 A N 0.611 123.638 122.820 0.346 0.000 2.610 155 A HA 0.777 5.097 4.320 -0.000 0.000 0.291 155 A C -0.711 177.184 177.584 0.518 0.000 1.086 155 A CA -0.516 51.685 52.037 0.274 0.000 0.677 155 A CB 0.843 20.006 19.000 0.271 0.000 1.278 155 A HN 1.847 nan 8.150 nan 0.000 0.414 156 G N -0.183 108.847 108.800 0.382 0.000 2.503 156 G HA2 0.655 4.615 3.960 -0.000 0.000 0.257 156 G HA3 0.655 4.615 3.960 -0.000 0.000 0.257 156 G C 0.345 175.426 174.900 0.302 0.000 1.214 156 G CA 0.388 45.705 45.100 0.361 0.000 0.839 156 G HN 1.743 nan 8.290 nan 0.000 0.559 157 A N 2.996 125.995 122.820 0.299 0.000 2.351 157 A HA 0.589 4.909 4.320 -0.000 0.000 0.257 157 A C -0.859 176.848 177.584 0.206 0.000 1.087 157 A CA -1.060 51.131 52.037 0.256 0.000 0.798 157 A CB 0.746 19.902 19.000 0.260 0.000 1.033 157 A HN 0.447 nan 8.150 nan 0.000 0.488 158 P HA -0.214 nan 4.420 nan 0.000 0.215 158 P C 1.568 178.935 177.300 0.112 0.000 1.163 158 P CA 1.831 64.997 63.100 0.110 0.000 0.894 158 P CB -0.192 31.555 31.700 0.077 0.000 0.791 159 W N 0.136 121.449 121.300 0.022 0.000 2.355 159 W HA -0.174 4.486 4.660 -0.000 0.000 0.309 159 W C 1.507 178.065 176.519 0.064 0.000 1.206 159 W CA 1.884 59.239 57.345 0.017 0.000 1.284 159 W CB -1.165 28.321 29.460 0.044 0.000 1.145 159 W HN -0.062 nan 8.180 nan 0.000 0.502 160 T N 2.383 116.878 114.554 -0.098 0.000 2.720 160 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 160 T C 1.978 176.634 174.700 -0.073 0.000 1.037 160 T CA 2.019 64.012 62.100 -0.179 0.000 1.144 160 T CB -0.589 68.310 68.868 0.052 0.000 0.864 160 T HN 0.151 nan 8.240 nan 0.000 0.444 161 L N 0.408 121.643 121.223 0.020 0.000 2.093 161 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 161 L C 2.629 179.464 176.870 -0.059 0.000 1.085 161 L CA 1.160 56.042 54.840 0.071 0.000 0.755 161 L CB -0.510 41.581 42.059 0.054 0.000 0.904 161 L HN 0.343 nan 8.230 nan 0.000 0.435 162 M N 0.054 119.525 119.600 -0.216 0.000 2.117 162 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 162 M C 2.437 178.440 176.300 -0.495 0.000 1.065 162 M CA 2.384 57.471 55.300 -0.356 0.000 1.114 162 M CB -0.240 32.164 32.600 -0.326 0.000 1.361 162 M HN 0.405 nan 8.290 nan 0.000 0.408 163 T N -1.426 112.714 114.554 -0.690 0.000 2.684 163 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 163 T C 1.549 176.013 174.700 -0.394 0.000 1.036 163 T CA 1.753 63.440 62.100 -0.689 0.000 1.148 163 T CB -1.277 67.122 68.868 -0.782 0.000 0.863 163 T HN 0.579 nan 8.240 nan 0.000 0.436 164 Y N 1.374 121.603 120.300 -0.119 0.000 2.165 164 Y HA 0.012 4.562 4.550 -0.000 0.000 0.286 164 Y C 2.898 178.862 175.900 0.108 0.000 1.155 164 Y CA 1.502 59.650 58.100 0.079 0.000 1.164 164 Y CB -0.514 38.064 38.460 0.196 0.000 0.978 164 Y HN 0.161 nan 8.280 nan 0.000 0.513 165 M N -1.338 118.255 119.600 -0.010 0.000 2.175 165 M HA -0.194 4.286 4.480 -0.000 0.000 0.264 165 M C 1.899 177.994 176.300 -0.343 0.000 1.063 165 M CA 1.169 56.233 55.300 -0.394 0.000 1.119 165 M CB -0.298 32.029 32.600 -0.456 0.000 1.377 165 M HN 0.097 nan 8.290 nan 0.000 0.415 166 V N -0.539 119.163 119.914 -0.354 0.000 2.426 166 V HA -0.101 4.019 4.120 -0.000 0.000 0.242 166 V C 2.222 178.206 176.094 -0.183 0.000 1.036 166 V CA 1.272 63.343 62.300 -0.382 0.000 1.044 166 V CB -0.404 31.025 31.823 -0.656 0.000 0.688 166 V HN 0.329 nan 8.190 nan 0.000 0.462 167 E N 0.207 120.309 120.200 -0.164 0.000 2.150 167 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 167 E C 1.997 178.598 176.600 0.002 0.000 0.985 167 E CA 1.161 57.505 56.400 -0.094 0.000 0.814 167 E CB -0.201 29.399 29.700 -0.167 0.000 0.752 167 E HN 0.651 nan 8.360 nan 0.000 0.466 168 G N 0.038 108.895 108.800 0.095 0.000 2.258 168 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.233 168 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.233 168 G C 0.657 175.701 174.900 0.240 0.000 1.006 168 G CA 0.570 45.803 45.100 0.222 0.000 0.620 168 G HN 0.780 nan 8.290 nan 0.000 0.511 169 G N -0.979 107.927 108.800 0.177 0.000 2.539 169 G HA2 0.625 4.585 3.960 -0.000 0.000 0.138 169 G HA3 0.625 4.585 3.960 -0.000 0.000 0.138 169 G C 0.397 175.354 174.900 0.095 0.000 1.148 169 G CA 0.793 46.022 45.100 0.215 0.000 1.057 169 G HN 1.622 nan 8.290 nan 0.000 0.511 170 G N -0.433 108.424 108.800 0.095 0.000 2.527 170 G HA2 0.530 4.490 3.960 -0.000 0.000 0.248 170 G HA3 0.530 4.490 3.960 -0.000 0.000 0.248 170 G C -0.100 174.744 174.900 -0.093 0.000 1.231 170 G CA 1.107 46.210 45.100 0.004 0.000 0.838 170 G HN 1.428 nan 8.290 nan 0.000 0.570 171 S N -1.356 114.235 115.700 -0.182 0.000 2.537 171 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 171 S C 0.875 175.382 174.600 -0.157 0.000 1.148 171 S CA 0.179 58.271 58.200 -0.180 0.000 0.868 171 S CB 1.406 64.450 63.200 -0.259 0.000 1.115 171 S HN 1.215 nan 8.310 nan 0.000 0.461 172 S N 1.538 117.207 115.700 -0.053 0.000 2.503 172 S HA 0.040 4.510 4.470 -0.000 0.000 0.217 172 S C 1.369 176.028 174.600 0.098 0.000 0.999 172 S CA 1.106 59.337 58.200 0.053 0.000 0.914 172 S CB -0.377 62.858 63.200 0.058 0.000 0.782 172 S HN 0.934 nan 8.310 nan 0.000 0.520 173 T N -2.339 112.209 114.554 -0.010 0.000 2.978 173 T HA 0.310 4.660 4.350 -0.000 0.000 0.248 173 T C 0.787 175.456 174.700 -0.051 0.000 1.018 173 T CA 0.249 62.376 62.100 0.044 0.000 1.026 173 T CB -0.175 68.716 68.868 0.038 0.000 1.032 173 T HN 0.155 nan 8.240 nan 0.000 0.485 174 M N 0.665 120.130 119.600 -0.225 0.000 2.576 174 M HA -0.204 4.276 4.480 -0.000 0.000 0.200 174 M C 1.352 177.639 176.300 -0.023 0.000 0.487 174 M CA 0.701 55.872 55.300 -0.216 0.000 0.553 174 M CB -2.529 29.905 32.600 -0.277 0.000 2.042 174 M HN 0.592 nan 8.290 nan 0.000 0.758 175 A N -0.366 122.454 122.820 -0.000 0.000 1.902 175 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 175 A C 2.034 179.667 177.584 0.082 0.000 1.181 175 A CA 1.764 53.835 52.037 0.056 0.000 0.623 175 A CB -0.183 18.842 19.000 0.041 0.000 0.818 175 A HN 0.640 nan 8.150 nan 0.000 0.443 176 Q N -0.481 119.351 119.800 0.054 0.000 2.050 176 Q HA -0.105 4.234 4.340 -0.000 0.000 0.202 176 Q C 2.489 178.579 176.000 0.149 0.000 0.980 176 Q CA 1.687 57.552 55.803 0.103 0.000 0.840 176 Q CB -0.825 27.948 28.738 0.059 0.000 0.898 176 Q HN 0.646 nan 8.270 nan 0.000 0.424 177 A N 1.466 124.304 122.820 0.029 0.000 1.858 177 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 177 A C 2.101 179.820 177.584 0.225 0.000 1.190 177 A CA 1.796 53.836 52.037 0.005 0.000 0.617 177 A CB -0.398 18.488 19.000 -0.190 0.000 0.827 177 A HN 0.296 nan 8.150 nan 0.000 0.443 178 K N -0.788 119.758 120.400 0.242 0.000 2.147 178 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 178 K C 2.267 178.985 176.600 0.197 0.000 1.049 178 K CA 1.278 57.665 56.287 0.167 0.000 0.936 178 K CB -0.160 32.455 32.500 0.191 0.000 0.722 178 K HN 0.484 nan 8.250 nan 0.000 0.446 179 R N 0.229 120.869 120.500 0.234 0.000 2.103 179 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 179 R C 1.659 178.079 176.300 0.200 0.000 1.142 179 R CA 1.817 58.050 56.100 0.221 0.000 0.960 179 R CB -0.245 30.157 30.300 0.170 0.000 0.858 179 R HN 0.251 nan 8.270 nan 0.000 0.439 180 W N 0.881 122.173 121.300 -0.014 0.000 2.338 180 W HA -0.131 4.529 4.660 -0.000 0.000 0.304 180 W C 2.005 178.424 176.519 -0.167 0.000 1.212 180 W CA 1.202 58.510 57.345 -0.062 0.000 1.264 180 W CB -0.458 28.964 29.460 -0.064 0.000 1.142 180 W HN 0.103 nan 8.180 nan 0.000 0.512 181 L N -1.769 119.398 121.223 -0.094 0.000 2.046 181 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 181 L C 2.061 178.680 176.870 -0.418 0.000 1.077 181 L CA 1.523 55.970 54.840 -0.655 0.000 0.747 181 L CB -1.064 40.363 42.059 -1.054 0.000 0.896 181 L HN 0.081 nan 8.230 nan 0.000 0.432 182 Y N -0.950 119.301 120.300 -0.083 0.000 2.301 182 Y HA -0.130 4.420 4.550 -0.000 0.000 0.295 182 Y C 2.795 178.693 175.900 -0.002 0.000 1.119 182 Y CA 0.709 58.803 58.100 -0.011 0.000 1.162 182 Y CB 0.142 38.599 38.460 -0.005 0.000 1.046 182 Y HN 0.104 nan 8.280 nan 0.000 0.538 183 Q N 0.084 119.962 119.800 0.130 0.000 2.204 183 Q HA 0.080 4.420 4.340 -0.000 0.000 0.198 183 Q C 0.326 176.304 176.000 -0.038 0.000 0.946 183 Q CA 0.639 56.459 55.803 0.028 0.000 0.859 183 Q CB 0.445 29.168 28.738 -0.026 0.000 0.946 183 Q HN 0.245 nan 8.270 nan 0.000 0.474 184 R N 0.217 120.671 120.500 -0.076 0.000 3.026 184 R HA 0.197 4.537 4.340 -0.000 0.000 0.317 184 R C -2.156 174.162 176.300 0.029 0.000 1.278 184 R CA -1.229 54.803 56.100 -0.113 0.000 1.407 184 R CB 0.898 30.955 30.300 -0.405 0.000 1.368 184 R HN 0.166 nan 8.270 nan 0.000 0.612 185 P HA -0.196 nan 4.420 nan 0.000 0.217 185 P C 0.935 178.441 177.300 0.344 0.000 1.150 185 P CA 1.271 64.526 63.100 0.258 0.000 0.832 185 P CB 0.416 32.317 31.700 0.336 0.000 0.787 186 Q N -0.383 119.573 119.800 0.259 0.000 2.079 186 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 186 Q C 2.400 178.549 176.000 0.248 0.000 0.974 186 Q CA 1.608 57.570 55.803 0.266 0.000 0.840 186 Q CB -0.571 28.261 28.738 0.157 0.000 0.898 186 Q HN 0.179 nan 8.270 nan 0.000 0.430 187 A N 0.433 123.361 122.820 0.180 0.000 1.930 187 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 187 A C 2.257 180.045 177.584 0.340 0.000 1.175 187 A CA 1.535 53.699 52.037 0.212 0.000 0.627 187 A CB -0.380 18.675 19.000 0.092 0.000 0.815 187 A HN 0.231 nan 8.150 nan 0.000 0.443 188 S N -0.658 115.250 115.700 0.346 0.000 2.348 188 S HA -0.168 4.302 4.470 -0.000 0.000 0.221 188 S C 1.918 176.644 174.600 0.209 0.000 1.033 188 S CA 1.257 59.621 58.200 0.274 0.000 1.010 188 S CB -0.629 62.627 63.200 0.093 0.000 0.891 188 S HN 0.702 nan 8.310 nan 0.000 0.442 189 H N 1.255 120.537 119.070 0.354 0.000 2.353 189 H HA -0.107 4.448 4.556 -0.000 0.000 0.298 189 H C 2.419 177.854 175.328 0.178 0.000 1.103 189 H CA 1.703 57.934 56.048 0.305 0.000 1.293 189 H CB -0.443 29.491 29.762 0.287 0.000 1.372 189 H HN 0.503 nan 8.280 nan 0.000 0.501 190 Q N 0.263 120.229 119.800 0.276 0.000 2.046 190 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 190 Q C 2.410 178.475 176.000 0.108 0.000 0.975 190 Q CA 1.131 57.041 55.803 0.177 0.000 0.836 190 Q CB -0.097 28.736 28.738 0.158 0.000 0.896 190 Q HN 0.255 nan 8.270 nan 0.000 0.428 191 L N 0.902 122.184 121.223 0.099 0.000 2.013 191 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 191 L C 2.092 178.918 176.870 -0.072 0.000 1.073 191 L CA 1.711 56.554 54.840 0.005 0.000 0.753 191 L CB -0.643 41.392 42.059 -0.040 0.000 0.890 191 L HN 0.321 nan 8.230 nan 0.000 0.432 192 L N -1.070 120.071 121.223 -0.138 0.000 2.141 192 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 192 L C 2.705 179.330 176.870 -0.408 0.000 1.094 192 L CA 1.120 55.709 54.840 -0.417 0.000 0.763 192 L CB -0.472 41.097 42.059 -0.816 0.000 0.908 192 L HN 0.266 nan 8.230 nan 0.000 0.437 193 R N 0.910 121.335 120.500 -0.124 0.000 2.066 193 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 193 R C 2.082 178.420 176.300 0.063 0.000 1.131 193 R CA 1.584 57.742 56.100 0.097 0.000 0.955 193 R CB -0.600 29.813 30.300 0.188 0.000 0.851 193 R HN 0.219 nan 8.270 nan 0.000 0.432 194 I N 0.339 120.928 120.570 0.032 0.000 2.151 194 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 194 I C 2.122 178.249 176.117 0.016 0.000 1.080 194 I CA 1.484 62.799 61.300 0.024 0.000 1.339 194 I CB -0.342 37.663 38.000 0.008 0.000 1.039 194 I HN 0.163 nan 8.210 nan 0.000 0.409 195 L N -0.152 121.062 121.223 -0.015 0.000 2.012 195 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 195 L C 2.655 179.557 176.870 0.053 0.000 1.073 195 L CA 1.720 56.560 54.840 -0.001 0.000 0.748 195 L CB -0.930 41.110 42.059 -0.032 0.000 0.891 195 L HN 0.264 nan 8.230 nan 0.000 0.431 196 T N -0.982 113.613 114.554 0.068 0.000 2.652 196 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 196 T C 1.447 176.224 174.700 0.128 0.000 1.039 196 T CA 1.617 63.801 62.100 0.141 0.000 1.153 196 T CB -0.307 68.702 68.868 0.235 0.000 0.863 196 T HN 0.306 nan 8.240 nan 0.000 0.428 197 D N 1.057 121.521 120.400 0.107 0.000 2.263 197 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 197 D C 2.079 178.432 176.300 0.089 0.000 0.971 197 D CA 0.944 55.000 54.000 0.094 0.000 0.867 197 D CB -0.229 40.619 40.800 0.079 0.000 0.929 197 D HN 0.454 nan 8.370 nan 0.000 0.492 198 A N -0.102 122.768 122.820 0.083 0.000 1.943 198 A HA 0.079 4.399 4.320 -0.000 0.000 0.213 198 A C 2.254 179.921 177.584 0.138 0.000 1.181 198 A CA 0.146 52.233 52.037 0.083 0.000 0.653 198 A CB -0.372 18.650 19.000 0.037 0.000 0.833 198 A HN 0.147 nan 8.150 nan 0.000 0.451 199 L N -0.475 120.842 121.223 0.156 0.000 2.093 199 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 199 L C 2.483 179.480 176.870 0.211 0.000 1.085 199 L CA 0.763 55.737 54.840 0.224 0.000 0.755 199 L CB -0.415 41.766 42.059 0.203 0.000 0.904 199 L HN 0.231 nan 8.230 nan 0.000 0.435 200 V N 0.630 120.637 119.914 0.156 0.000 2.237 200 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 200 V C -0.193 175.969 176.094 0.112 0.000 1.046 200 V CA 2.191 64.562 62.300 0.117 0.000 1.007 200 V CB -1.667 30.213 31.823 0.095 0.000 0.638 200 V HN 0.360 nan 8.190 nan 0.000 0.445 201 P HA -0.213 nan 4.420 nan 0.000 0.218 201 P C 1.544 178.978 177.300 0.223 0.000 1.149 201 P CA 1.668 64.849 63.100 0.134 0.000 0.817 201 P CB -0.184 31.596 31.700 0.134 0.000 0.785 202 Y N 1.233 121.619 120.300 0.143 0.000 2.145 202 Y HA -0.147 4.403 4.550 -0.000 0.000 0.286 202 Y C 2.345 178.359 175.900 0.190 0.000 1.145 202 Y CA 1.276 59.517 58.100 0.235 0.000 1.148 202 Y CB -1.319 37.215 38.460 0.123 0.000 0.981 202 Y HN -0.233 nan 8.280 nan 0.000 0.507 203 L N -1.378 119.842 121.223 -0.005 0.000 2.056 203 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 203 L C 2.414 179.217 176.870 -0.112 0.000 1.078 203 L CA 0.980 55.740 54.840 -0.133 0.000 0.749 203 L CB -0.755 41.288 42.059 -0.026 0.000 0.901 203 L HN 0.048 nan 8.230 nan 0.000 0.433 204 V N 0.299 120.175 119.914 -0.062 0.000 2.287 204 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 204 V C 2.645 178.615 176.094 -0.207 0.000 1.053 204 V CA 2.083 64.328 62.300 -0.093 0.000 1.027 204 V CB -1.348 30.445 31.823 -0.051 0.000 0.646 204 V HN 0.582 nan 8.190 nan 0.000 0.447 205 G N -1.108 107.501 108.800 -0.318 0.000 2.440 205 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 205 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 205 G C 1.481 175.870 174.900 -0.852 0.000 1.154 205 G CA 0.865 45.430 45.100 -0.892 0.000 0.767 205 G HN 0.560 nan 8.290 nan 0.000 0.552 206 Q N -0.260 119.306 119.800 -0.388 0.000 2.084 206 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 206 Q C 2.866 178.768 176.000 -0.163 0.000 0.978 206 Q CA 1.379 57.077 55.803 -0.175 0.000 0.844 206 Q CB -0.253 28.362 28.738 -0.205 0.000 0.898 206 Q HN 0.432 nan 8.270 nan 0.000 0.426 207 V N 0.245 120.061 119.914 -0.163 0.000 2.270 207 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 207 V C 2.308 178.346 176.094 -0.093 0.000 1.043 207 V CA 1.384 63.619 62.300 -0.109 0.000 1.014 207 V CB -0.520 31.257 31.823 -0.076 0.000 0.645 207 V HN 0.167 nan 8.190 nan 0.000 0.447 208 V N 0.615 120.451 119.914 -0.129 0.000 2.380 208 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 208 V C 2.569 178.648 176.094 -0.024 0.000 1.063 208 V CA 2.213 64.460 62.300 -0.089 0.000 1.055 208 V CB -1.151 30.574 31.823 -0.163 0.000 0.657 208 V HN 0.581 nan 8.190 nan 0.000 0.455 209 A N -1.246 121.521 122.820 -0.088 0.000 2.169 209 A HA 0.390 4.710 4.320 -0.000 0.000 0.212 209 A C 1.904 179.524 177.584 0.059 0.000 1.153 209 A CA 1.353 53.411 52.037 0.035 0.000 0.756 209 A CB -0.042 18.980 19.000 0.037 0.000 0.813 209 A HN 1.063 nan 8.150 nan 0.000 0.471 210 G N -2.695 106.045 108.800 -0.100 0.000 2.559 210 G HA2 0.277 4.237 3.960 -0.000 0.000 0.202 210 G HA3 0.277 4.237 3.960 -0.000 0.000 0.202 210 G C 0.311 175.012 174.900 -0.332 0.000 0.992 210 G CA -0.018 44.827 45.100 -0.424 0.000 0.764 210 G HN 1.253 nan 8.290 nan 0.000 0.525 211 A N 0.234 122.948 122.820 -0.178 0.000 2.477 211 A HA 0.610 4.930 4.320 -0.000 0.000 0.246 211 A C 0.974 178.496 177.584 -0.103 0.000 1.078 211 A CA 0.945 52.904 52.037 -0.130 0.000 0.770 211 A CB 0.310 19.254 19.000 -0.094 0.000 1.011 211 A HN 0.435 nan 8.150 nan 0.000 0.494 212 Q N 0.351 120.104 119.800 -0.079 0.000 2.247 212 Q HA 0.462 4.802 4.340 -0.000 0.000 0.211 212 Q C 0.099 176.115 176.000 0.027 0.000 0.861 212 Q CA 0.665 56.456 55.803 -0.020 0.000 0.949 212 Q CB 0.706 29.435 28.738 -0.014 0.000 1.115 212 Q HN 0.914 nan 8.270 nan 0.000 0.507 213 A N 0.495 123.320 122.820 0.008 0.000 2.608 213 A HA 0.714 5.034 4.320 -0.000 0.000 0.292 213 A C -1.923 175.666 177.584 0.008 0.000 1.066 213 A CA -0.651 51.398 52.037 0.021 0.000 0.676 213 A CB 1.151 20.248 19.000 0.161 0.000 1.277 213 A HN 0.145 nan 8.150 nan 0.000 0.413 214 L N 0.731 121.967 121.223 0.021 0.000 2.408 214 L HA 0.667 5.007 4.340 -0.000 0.000 0.268 214 L C -0.346 176.596 176.870 0.121 0.000 0.986 214 L CA -0.435 54.442 54.840 0.062 0.000 0.820 214 L CB 2.286 44.371 42.059 0.044 0.000 1.303 214 L HN 0.877 nan 8.230 nan 0.000 0.411 215 Q N 2.651 122.557 119.800 0.176 0.000 2.331 215 Q HA 0.536 4.876 4.340 -0.000 0.000 0.267 215 Q C -1.668 174.468 176.000 0.226 0.000 1.006 215 Q CA -0.770 55.121 55.803 0.147 0.000 0.818 215 Q CB 2.233 30.985 28.738 0.024 0.000 1.276 215 Q HN 0.526 nan 8.270 nan 0.000 0.450 216 L N 4.687 126.031 121.223 0.201 0.000 2.264 216 L HA 0.472 4.811 4.340 -0.000 0.000 0.289 216 L C -1.546 175.452 176.870 0.214 0.000 1.044 216 L CA 0.091 55.096 54.840 0.274 0.000 0.807 216 L CB 0.581 42.813 42.059 0.288 0.000 1.192 216 L HN 0.637 nan 8.230 nan 0.000 0.425 217 F N 3.473 123.621 119.950 0.331 0.000 2.350 217 F HA 0.292 4.819 4.527 -0.000 0.000 0.365 217 F C 0.514 176.474 175.800 0.266 0.000 1.122 217 F CA -0.363 57.857 58.000 0.367 0.000 1.139 217 F CB 0.986 40.205 39.000 0.365 0.000 1.220 217 F HN 0.466 nan 8.300 nan 0.000 0.499 218 E N 1.679 122.077 120.200 0.331 0.000 2.373 218 E HA 0.216 4.566 4.350 -0.000 0.000 0.233 218 E C 0.406 177.107 176.600 0.168 0.000 1.035 218 E CA -0.029 56.521 56.400 0.249 0.000 0.930 218 E CB 0.251 30.083 29.700 0.219 0.000 1.278 218 E HN 0.485 nan 8.360 nan 0.000 0.452 219 S N 1.351 117.185 115.700 0.223 0.000 2.453 219 S HA -0.070 4.400 4.470 -0.000 0.000 0.231 219 S C 0.592 175.351 174.600 0.265 0.000 1.005 219 S CA 0.668 58.986 58.200 0.197 0.000 0.949 219 S CB -0.196 63.127 63.200 0.205 0.000 0.774 219 S HN 0.623 nan 8.310 nan 0.000 0.510 220 H N -0.083 119.159 119.070 0.287 0.000 2.469 220 H HA 0.467 5.023 4.556 -0.000 0.000 0.286 220 H C 1.650 177.374 175.328 0.661 0.000 1.106 220 H CA -0.073 56.216 56.048 0.403 0.000 1.055 220 H CB 0.260 30.107 29.762 0.142 0.000 1.618 220 H HN 0.356 nan 8.280 nan 0.000 0.559 221 A N 0.624 123.782 122.820 0.564 0.000 1.902 221 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 221 A C 2.534 180.375 177.584 0.427 0.000 1.181 221 A CA 1.639 53.979 52.037 0.505 0.000 0.623 221 A CB -0.892 18.238 19.000 0.218 0.000 0.818 221 A HN 0.543 nan 8.150 nan 0.000 0.443 222 G N -1.804 107.139 108.800 0.239 0.000 2.509 222 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 222 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 222 G C 1.170 176.112 174.900 0.070 0.000 1.124 222 G CA 1.021 46.205 45.100 0.139 0.000 0.776 222 G HN 0.752 nan 8.290 nan 0.000 0.547 223 H N -0.456 118.756 119.070 0.237 0.000 2.495 223 H HA 0.211 4.767 4.556 -0.000 0.000 0.287 223 H C 0.916 176.312 175.328 0.113 0.000 1.033 223 H CA 0.184 56.337 56.048 0.176 0.000 1.307 223 H CB 0.063 29.958 29.762 0.222 0.000 1.401 223 H HN 0.202 nan 8.280 nan 0.000 0.555 224 L N 0.725 122.072 121.223 0.207 0.000 2.350 224 L HA 0.309 4.649 4.340 -0.000 0.000 0.275 224 L C 1.213 177.954 176.870 -0.215 0.000 1.099 224 L CA -0.758 54.086 54.840 0.007 0.000 0.808 224 L CB 1.259 43.300 42.059 -0.030 0.000 1.149 224 L HN 0.208 nan 8.230 nan 0.000 0.442 225 G N 1.732 110.344 108.800 -0.314 0.000 2.563 225 G HA2 0.300 4.260 3.960 -0.000 0.000 0.283 225 G HA3 0.300 4.260 3.960 -0.000 0.000 0.283 225 G C -1.931 172.551 174.900 -0.697 0.000 1.309 225 G CA -0.953 43.757 45.100 -0.650 0.000 1.022 225 G HN 0.432 nan 8.290 nan 0.000 0.501 226 P HA -0.145 nan 4.420 nan 0.000 0.215 226 P C 1.703 179.002 177.300 -0.002 0.000 1.157 226 P CA 1.482 64.439 63.100 -0.239 0.000 0.874 226 P CB 0.154 31.769 31.700 -0.142 0.000 0.790 227 Q N -0.820 118.960 119.800 -0.034 0.000 2.046 227 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 227 Q C 2.322 178.353 176.000 0.051 0.000 0.975 227 Q CA 1.204 57.022 55.803 0.025 0.000 0.836 227 Q CB -1.053 27.702 28.738 0.028 0.000 0.896 227 Q HN 0.206 nan 8.270 nan 0.000 0.428 228 L N -0.558 120.683 121.223 0.031 0.000 2.083 228 L HA -0.155 4.184 4.340 -0.000 0.000 0.209 228 L C 2.202 179.117 176.870 0.074 0.000 1.083 228 L CA 1.047 55.915 54.840 0.047 0.000 0.752 228 L CB -0.343 41.635 42.059 -0.135 0.000 0.899 228 L HN 0.254 nan 8.230 nan 0.000 0.433 229 F N 1.236 121.151 119.950 -0.059 0.000 2.113 229 F HA -0.216 4.311 4.527 -0.000 0.000 0.297 229 F C 2.365 178.188 175.800 0.039 0.000 1.103 229 F CA 1.548 59.552 58.000 0.006 0.000 1.248 229 F CB -0.142 38.988 39.000 0.216 0.000 0.999 229 F HN 0.117 nan 8.300 nan 0.000 0.475 230 N N 0.705 119.556 118.700 0.251 0.000 2.223 230 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 230 N C 1.660 177.138 175.510 -0.053 0.000 1.016 230 N CA 1.285 54.399 53.050 0.106 0.000 0.863 230 N CB -0.314 38.243 38.487 0.117 0.000 0.983 230 N HN 0.413 nan 8.380 nan 0.000 0.429 231 K N -0.949 119.394 120.400 -0.095 0.000 2.098 231 K HA 0.091 4.411 4.320 -0.000 0.000 0.203 231 K C 0.983 177.372 176.600 -0.350 0.000 1.051 231 K CA 0.836 56.948 56.287 -0.293 0.000 0.957 231 K CB 0.084 32.281 32.500 -0.504 0.000 0.738 231 K HN 0.141 nan 8.250 nan 0.000 0.447 232 F N -1.367 118.550 119.950 -0.055 0.000 2.752 232 F HA 0.245 4.772 4.527 -0.000 0.000 0.310 232 F C 1.701 177.519 175.800 0.030 0.000 1.097 232 F CA -0.130 57.868 58.000 -0.003 0.000 1.238 232 F CB 0.681 39.541 39.000 -0.232 0.000 1.061 232 F HN -0.056 nan 8.300 nan 0.000 0.591 233 A N -0.391 122.358 122.820 -0.118 0.000 1.993 233 A HA 0.144 4.464 4.320 -0.000 0.000 0.202 233 A C 1.696 179.087 177.584 -0.322 0.000 1.461 233 A CA 0.259 52.126 52.037 -0.282 0.000 0.824 233 A CB -0.843 17.684 19.000 -0.787 0.000 1.024 233 A HN 0.155 nan 8.150 nan 0.000 0.507 234 L N 1.013 121.882 121.223 -0.590 0.000 2.013 234 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 234 L C -0.948 175.851 176.870 -0.118 0.000 1.073 234 L CA 2.611 57.287 54.840 -0.273 0.000 0.753 234 L CB -1.150 40.847 42.059 -0.103 0.000 0.890 234 L HN 0.170 nan 8.230 nan 0.000 0.432 235 P HA -0.188 nan 4.420 nan 0.000 0.216 235 P C 1.078 178.195 177.300 -0.304 0.000 1.150 235 P CA 1.777 64.687 63.100 -0.315 0.000 0.837 235 P CB -0.183 31.183 31.700 -0.556 0.000 0.786 236 Y N -1.546 118.776 120.300 0.037 0.000 2.337 236 Y HA 0.017 4.567 4.550 -0.000 0.000 0.293 236 Y C 2.324 178.289 175.900 0.108 0.000 1.123 236 Y CA 0.354 58.503 58.100 0.081 0.000 1.201 236 Y CB -1.076 37.447 38.460 0.105 0.000 1.011 236 Y HN -0.137 nan 8.280 nan 0.000 0.545 237 I N 0.105 120.802 120.570 0.213 0.000 2.286 237 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 237 I C 2.253 178.552 176.117 0.302 0.000 1.115 237 I CA 1.433 62.870 61.300 0.228 0.000 1.392 237 I CB -0.247 37.821 38.000 0.113 0.000 1.065 237 I HN 0.167 nan 8.210 nan 0.000 0.418 238 R N 0.400 121.011 120.500 0.185 0.000 2.075 238 R HA -0.136 4.203 4.340 -0.000 0.000 0.232 238 R C 1.907 178.270 176.300 0.104 0.000 1.126 238 R CA 1.438 57.630 56.100 0.154 0.000 0.963 238 R CB -0.369 29.973 30.300 0.069 0.000 0.858 238 R HN 0.323 nan 8.270 nan 0.000 0.435 239 D N 0.371 120.821 120.400 0.083 0.000 2.123 239 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 239 D C 2.002 178.362 176.300 0.100 0.000 0.992 239 D CA 1.030 55.077 54.000 0.077 0.000 0.833 239 D CB -0.281 40.574 40.800 0.091 0.000 0.954 239 D HN -0.015 nan 8.370 nan 0.000 0.455 240 V N 1.545 121.551 119.914 0.154 0.000 2.255 240 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 240 V C 2.557 178.685 176.094 0.056 0.000 1.051 240 V CA 2.079 64.466 62.300 0.145 0.000 1.018 240 V CB -0.854 31.103 31.823 0.224 0.000 0.641 240 V HN 0.210 nan 8.190 nan 0.000 0.445 241 A N -0.527 122.285 122.820 -0.014 0.000 1.877 241 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 241 A C 2.348 179.861 177.584 -0.118 0.000 1.186 241 A CA 2.226 54.120 52.037 -0.238 0.000 0.620 241 A CB -0.558 18.055 19.000 -0.646 0.000 0.822 241 A HN 0.525 nan 8.150 nan 0.000 0.443 242 K N -0.485 119.884 120.400 -0.051 0.000 2.020 242 K HA -0.251 4.069 4.320 -0.000 0.000 0.212 242 K C 2.258 178.853 176.600 -0.009 0.000 1.050 242 K CA 2.034 58.307 56.287 -0.023 0.000 0.929 242 K CB -0.252 32.248 32.500 -0.000 0.000 0.714 242 K HN 0.653 nan 8.250 nan 0.000 0.443 243 Q N -0.062 119.744 119.800 0.010 0.000 2.123 243 Q HA -0.091 4.249 4.340 -0.000 0.000 0.199 243 Q C 2.164 178.171 176.000 0.013 0.000 0.966 243 Q CA 1.187 57.002 55.803 0.020 0.000 0.845 243 Q CB 0.116 28.879 28.738 0.041 0.000 0.907 243 Q HN 0.143 nan 8.270 nan 0.000 0.439 244 V N 1.504 121.421 119.914 0.005 0.000 2.287 244 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 244 V C 2.085 178.172 176.094 -0.012 0.000 1.053 244 V CA 1.915 64.213 62.300 -0.003 0.000 1.027 244 V CB -0.437 31.378 31.823 -0.013 0.000 0.646 244 V HN 0.300 nan 8.190 nan 0.000 0.447 245 K N 0.008 120.394 120.400 -0.022 0.000 2.032 245 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 245 K C 2.320 178.919 176.600 -0.002 0.000 1.048 245 K CA 1.583 57.863 56.287 -0.011 0.000 0.927 245 K CB -0.488 32.002 32.500 -0.017 0.000 0.712 245 K HN 0.483 nan 8.250 nan 0.000 0.441 246 A N 1.719 124.538 122.820 -0.002 0.000 1.865 246 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 246 A C 2.083 179.668 177.584 0.002 0.000 1.191 246 A CA 1.476 53.515 52.037 0.002 0.000 0.623 246 A CB -0.474 18.528 19.000 0.005 0.000 0.826 246 A HN 0.205 nan 8.150 nan 0.000 0.444 247 R N -0.609 119.893 120.500 0.003 0.000 2.091 247 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 247 R C 2.142 178.440 176.300 -0.004 0.000 1.136 247 R CA 1.505 57.606 56.100 0.002 0.000 0.959 247 R CB -0.668 29.635 30.300 0.005 0.000 0.856 247 R HN 0.544 nan 8.270 nan 0.000 0.437 248 L N 0.230 121.450 121.223 -0.005 0.000 2.046 248 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 248 L C 2.697 179.566 176.870 -0.001 0.000 1.077 248 L CA 1.446 56.282 54.840 -0.005 0.000 0.747 248 L CB -0.436 41.622 42.059 -0.001 0.000 0.896 248 L HN 0.176 nan 8.230 nan 0.000 0.432 249 R N 0.237 120.738 120.500 0.001 0.000 2.080 249 R HA -0.201 4.139 4.340 -0.000 0.000 0.236 249 R C 2.184 178.482 176.300 -0.002 0.000 1.137 249 R CA 1.735 57.835 56.100 -0.000 0.000 0.943 249 R CB -0.395 29.905 30.300 -0.001 0.000 0.846 249 R HN 0.406 nan 8.270 nan 0.000 0.431 250 E N 0.348 120.547 120.200 -0.002 0.000 2.160 250 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 250 E C 1.554 178.152 176.600 -0.003 0.000 0.991 250 E CA 1.238 57.637 56.400 -0.002 0.000 0.810 250 E CB -0.022 29.679 29.700 0.000 0.000 0.742 250 E HN 0.369 nan 8.360 nan 0.000 0.466 251 A N -0.057 122.761 122.820 -0.005 0.000 2.259 251 A HA 0.293 4.613 4.320 -0.000 0.000 0.208 251 A C 1.656 179.237 177.584 -0.005 0.000 1.201 251 A CA 0.668 52.701 52.037 -0.007 0.000 0.824 251 A CB -0.443 18.549 19.000 -0.013 0.000 0.838 251 A HN 0.313 nan 8.150 nan 0.000 0.485 252 G N -1.229 107.568 108.800 -0.004 0.000 2.155 252 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.257 252 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.257 252 G C 0.055 174.955 174.900 -0.000 0.000 0.983 252 G CA 0.566 45.664 45.100 -0.003 0.000 0.676 252 G HN 0.474 nan 8.290 nan 0.000 0.528 253 L N 0.234 121.458 121.223 0.002 0.000 2.344 253 L HA 0.761 5.101 4.340 -0.000 0.000 0.272 253 L C 1.046 177.923 176.870 0.012 0.000 1.035 253 L CA -0.679 54.166 54.840 0.009 0.000 0.807 253 L CB 1.640 43.704 42.059 0.008 0.000 1.237 253 L HN 0.247 nan 8.230 nan 0.000 0.442 254 A N 3.401 126.233 122.820 0.019 0.000 2.450 254 A HA 0.448 4.768 4.320 -0.000 0.000 0.255 254 A C -2.060 175.558 177.584 0.057 0.000 1.096 254 A CA -1.044 51.008 52.037 0.025 0.000 0.778 254 A CB -0.627 18.387 19.000 0.023 0.000 1.031 254 A HN 0.473 nan 8.150 nan 0.000 0.494 255 P HA 0.229 nan 4.420 nan 0.000 0.269 255 P C -0.176 177.262 177.300 0.229 0.000 1.211 255 P CA 0.114 63.294 63.100 0.133 0.000 0.781 255 P CB 0.421 32.227 31.700 0.176 0.000 0.877 256 V N -2.851 117.168 119.914 0.174 0.000 2.960 256 V HA 0.618 4.738 4.120 -0.000 0.000 0.315 256 V C -2.763 173.295 176.094 -0.059 0.000 1.087 256 V CA -3.234 59.157 62.300 0.152 0.000 0.982 256 V CB 1.110 32.961 31.823 0.048 0.000 1.039 256 V HN 0.283 nan 8.190 nan 0.000 0.437 257 P HA 0.351 nan 4.420 nan 0.000 0.268 257 P C -0.695 176.415 177.300 -0.317 0.000 1.204 257 P CA 0.276 62.915 63.100 -0.768 0.000 0.768 257 P CB 0.302 31.407 31.700 -0.991 0.000 0.842 258 M N 3.210 122.671 119.600 -0.233 0.000 2.383 258 M HA 0.467 4.947 4.480 -0.000 0.000 0.325 258 M C -0.396 175.995 176.300 0.151 0.000 1.092 258 M CA -0.597 54.685 55.300 -0.029 0.000 0.961 258 M CB 1.691 34.217 32.600 -0.123 0.000 1.672 258 M HN 0.143 nan 8.290 nan 0.000 0.438 259 I N 3.093 123.808 120.570 0.241 0.000 2.406 259 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 259 I C -0.886 175.321 176.117 0.149 0.000 0.999 259 I CA -0.683 60.732 61.300 0.191 0.000 1.124 259 I CB 1.923 40.001 38.000 0.130 0.000 1.289 259 I HN 0.503 nan 8.210 nan 0.000 0.441 260 I N 7.040 127.556 120.570 -0.090 0.000 2.321 260 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 260 I C -1.268 174.814 176.117 -0.058 0.000 0.998 260 I CA -0.349 60.757 61.300 -0.322 0.000 1.227 260 I CB 0.712 38.172 38.000 -0.900 0.000 1.368 260 I HN 0.387 nan 8.210 nan 0.000 0.466 261 F N 8.391 128.236 119.950 -0.174 0.000 2.388 261 F HA 0.768 5.295 4.527 -0.000 0.000 0.358 261 F C -0.348 175.436 175.800 -0.028 0.000 1.122 261 F CA -0.849 57.077 58.000 -0.122 0.000 1.056 261 F CB 1.061 39.928 39.000 -0.221 0.000 1.155 261 F HN 0.546 nan 8.300 nan 0.000 0.461 262 A N 7.362 129.856 122.820 -0.545 0.000 2.508 262 A HA 0.307 4.627 4.320 -0.000 0.000 0.336 262 A C -0.277 176.864 177.584 -0.739 0.000 1.360 262 A CA -0.832 50.908 52.037 -0.494 0.000 0.841 262 A CB 0.115 18.942 19.000 -0.288 0.000 1.136 262 A HN 0.730 nan 8.150 nan 0.000 0.489 263 K N 2.231 122.081 120.400 -0.917 0.000 2.447 263 K HA 0.048 4.368 4.320 -0.000 0.000 0.281 263 K C -0.675 175.714 176.600 -0.352 0.000 1.031 263 K CA 0.374 56.263 56.287 -0.664 0.000 1.019 263 K CB 0.138 32.402 32.500 -0.393 0.000 0.918 263 K HN 0.713 nan 8.250 nan 0.000 0.476 264 D N 2.466 122.660 120.400 -0.342 0.000 2.775 264 D HA -0.135 4.505 4.640 -0.000 0.000 0.235 264 D C 0.130 176.286 176.300 -0.240 0.000 1.120 264 D CA 1.241 55.104 54.000 -0.228 0.000 0.708 264 D CB -1.043 39.658 40.800 -0.165 0.000 1.084 264 D HN 0.868 nan 8.370 nan 0.000 0.434 265 G N 0.053 108.597 108.800 -0.427 0.000 3.899 265 G HA2 0.046 4.006 3.960 -0.000 0.000 0.293 265 G HA3 0.046 4.006 3.960 -0.000 0.000 0.293 265 G C 1.314 175.670 174.900 -0.907 0.000 1.054 265 G CA 0.102 44.674 45.100 -0.881 0.000 0.846 265 G HN 0.525 nan 8.290 nan 0.000 0.525 266 H N 0.824 119.607 119.070 -0.479 0.000 2.394 266 H HA -0.256 4.300 4.556 -0.000 0.000 0.297 266 H C 1.907 177.064 175.328 -0.283 0.000 1.113 266 H CA 1.564 57.436 56.048 -0.293 0.000 1.277 266 H CB -0.806 28.866 29.762 -0.149 0.000 1.370 266 H HN 0.567 nan 8.280 nan 0.000 0.506 267 F N 0.815 120.108 119.950 -1.095 0.000 2.502 267 F HA 0.427 4.954 4.527 -0.000 0.000 0.298 267 F C 2.371 177.905 175.800 -0.444 0.000 1.111 267 F CA 0.453 58.050 58.000 -0.672 0.000 1.445 267 F CB -0.301 38.291 39.000 -0.680 0.000 1.081 267 F HN 0.276 nan 8.300 nan 0.000 0.558 268 A N 0.499 122.750 122.820 -0.949 0.000 2.343 268 A HA 0.344 4.664 4.320 -0.000 0.000 0.223 268 A C 1.954 179.311 177.584 -0.378 0.000 1.214 268 A CA -0.127 51.478 52.037 -0.720 0.000 0.900 268 A CB -0.713 17.444 19.000 -1.404 0.000 0.942 268 A HN 0.447 nan 8.150 nan 0.000 0.507 269 L N -0.490 120.539 121.223 -0.323 0.000 2.042 269 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 269 L C 2.533 179.351 176.870 -0.087 0.000 1.076 269 L CA 1.878 56.610 54.840 -0.180 0.000 0.749 269 L CB -0.388 41.591 42.059 -0.133 0.000 0.893 269 L HN 0.553 nan 8.230 nan 0.000 0.432 270 E N 0.316 120.474 120.200 -0.069 0.000 2.051 270 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 270 E C 2.051 178.649 176.600 -0.003 0.000 0.991 270 E CA 1.432 57.818 56.400 -0.023 0.000 0.799 270 E CB 0.090 29.780 29.700 -0.016 0.000 0.748 270 E HN 0.491 nan 8.360 nan 0.000 0.449 271 E N 0.172 120.371 120.200 -0.002 0.000 2.106 271 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 271 E C 2.224 178.858 176.600 0.055 0.000 0.984 271 E CA 0.656 57.081 56.400 0.042 0.000 0.806 271 E CB 0.019 29.769 29.700 0.084 0.000 0.750 271 E HN 0.296 nan 8.360 nan 0.000 0.458 272 L N 0.319 121.554 121.223 0.020 0.000 2.201 272 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 272 L C 2.419 179.315 176.870 0.043 0.000 1.105 272 L CA 0.642 55.495 54.840 0.021 0.000 0.775 272 L CB -0.309 41.718 42.059 -0.052 0.000 0.913 272 L HN 0.147 nan 8.230 nan 0.000 0.440 273 A N -1.004 121.837 122.820 0.036 0.000 2.121 273 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 273 A C 1.915 179.544 177.584 0.076 0.000 1.154 273 A CA 1.064 53.134 52.037 0.056 0.000 0.679 273 A CB -0.106 18.917 19.000 0.039 0.000 0.795 273 A HN 0.383 nan 8.150 nan 0.000 0.458 274 Q N -1.316 118.529 119.800 0.076 0.000 2.219 274 Q HA 0.356 4.696 4.340 -0.000 0.000 0.209 274 Q C 1.274 177.336 176.000 0.102 0.000 0.854 274 Q CA 0.693 56.542 55.803 0.077 0.000 0.960 274 Q CB 0.255 29.027 28.738 0.056 0.000 1.116 274 Q HN 0.592 nan 8.270 nan 0.000 0.500 275 A N -0.147 122.766 122.820 0.156 0.000 2.275 275 A HA 0.459 4.779 4.320 -0.000 0.000 0.212 275 A C 1.290 179.037 177.584 0.271 0.000 1.201 275 A CA 0.689 52.857 52.037 0.218 0.000 0.843 275 A CB 0.086 19.234 19.000 0.247 0.000 0.873 275 A HN 0.337 nan 8.150 nan 0.000 0.492 276 G N -2.147 106.768 108.800 0.192 0.000 2.134 276 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.209 276 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.209 276 G C -0.323 174.525 174.900 -0.087 0.000 0.993 276 G CA 0.001 45.123 45.100 0.037 0.000 0.669 276 G HN 0.353 nan 8.290 nan 0.000 0.519 277 Y N -0.041 120.274 120.300 0.024 0.000 2.377 277 Y HA 0.592 5.141 4.550 -0.000 0.000 0.339 277 Y C 1.345 177.231 175.900 -0.023 0.000 1.011 277 Y CA -0.826 57.274 58.100 0.000 0.000 1.093 277 Y CB 1.571 40.040 38.460 0.015 0.000 1.201 277 Y HN 0.051 nan 8.280 nan 0.000 0.455 278 E N 1.038 121.252 120.200 0.023 0.000 2.150 278 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 278 E C -0.472 176.114 176.600 -0.024 0.000 0.985 278 E CA 0.855 57.218 56.400 -0.061 0.000 0.814 278 E CB 0.149 29.657 29.700 -0.321 0.000 0.752 278 E HN 0.275 nan 8.360 nan 0.000 0.466 279 V N 0.492 120.419 119.914 0.021 0.000 2.638 279 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 279 V C -0.688 175.448 176.094 0.070 0.000 1.052 279 V CA -0.985 61.329 62.300 0.024 0.000 0.885 279 V CB 2.305 34.116 31.823 -0.019 0.000 0.999 279 V HN -0.264 nan 8.190 nan 0.000 0.424 280 V N 3.385 123.338 119.914 0.065 0.000 2.370 280 V HA 0.682 4.802 4.120 -0.000 0.000 0.283 280 V C 0.787 176.940 176.094 0.097 0.000 1.023 280 V CA -0.264 62.068 62.300 0.054 0.000 0.857 280 V CB 1.604 33.448 31.823 0.036 0.000 0.985 280 V HN 0.987 nan 8.190 nan 0.000 0.443 281 G N 5.065 113.948 108.800 0.138 0.000 2.377 281 G HA2 0.680 4.640 3.960 -0.000 0.000 0.299 281 G HA3 0.680 4.640 3.960 -0.000 0.000 0.299 281 G C -0.896 174.207 174.900 0.338 0.000 1.150 281 G CA -0.434 44.812 45.100 0.243 0.000 0.847 281 G HN 0.595 nan 8.290 nan 0.000 0.501 282 L N 1.079 122.495 121.223 0.321 0.000 2.354 282 L HA 0.434 4.774 4.340 -0.000 0.000 0.269 282 L C -0.274 176.806 176.870 0.351 0.000 1.005 282 L CA -1.264 53.728 54.840 0.252 0.000 0.819 282 L CB 2.319 44.506 42.059 0.214 0.000 1.311 282 L HN 0.703 nan 8.230 nan 0.000 0.423 283 D N -0.869 119.642 120.400 0.185 0.000 2.411 283 D HA 0.055 4.695 4.640 -0.000 0.000 0.251 283 D C 0.644 176.987 176.300 0.072 0.000 1.201 283 D CA -0.577 53.484 54.000 0.102 0.000 0.996 283 D CB 0.528 41.146 40.800 -0.303 0.000 1.101 283 D HN 0.646 nan 8.370 nan 0.000 0.504 284 W N -0.955 120.400 121.300 0.092 0.000 2.937 284 W HA 0.056 4.716 4.660 -0.000 0.000 0.245 284 W C 1.373 177.912 176.519 0.032 0.000 1.306 284 W CA 0.606 57.989 57.345 0.063 0.000 1.470 284 W CB -1.001 28.484 29.460 0.042 0.000 1.132 284 W HN 0.405 nan 8.180 nan 0.000 0.675 285 T N -1.730 112.546 114.554 -0.464 0.000 3.081 285 T HA 0.130 4.480 4.350 -0.000 0.000 0.255 285 T C 0.466 175.075 174.700 -0.153 0.000 1.113 285 T CA 0.106 62.024 62.100 -0.304 0.000 1.082 285 T CB -0.611 67.998 68.868 -0.432 0.000 0.939 285 T HN -0.075 nan 8.240 nan 0.000 0.506 286 V N 2.243 122.092 119.914 -0.108 0.000 2.439 286 V HA 0.693 4.813 4.120 -0.000 0.000 0.282 286 V C 0.733 176.794 176.094 -0.056 0.000 1.039 286 V CA -1.400 60.859 62.300 -0.068 0.000 0.913 286 V CB 0.737 32.533 31.823 -0.045 0.000 0.983 286 V HN 0.589 nan 8.190 nan 0.000 0.460 287 A N 6.578 129.350 122.820 -0.081 0.000 2.450 287 A HA 0.455 4.774 4.320 -0.000 0.000 0.255 287 A C -1.265 176.191 177.584 -0.213 0.000 1.096 287 A CA -0.992 50.971 52.037 -0.122 0.000 0.778 287 A CB 0.111 19.048 19.000 -0.105 0.000 1.031 287 A HN 0.723 nan 8.150 nan 0.000 0.494 288 P HA -0.204 nan 4.420 nan 0.000 0.216 288 P C 1.150 178.154 177.300 -0.494 0.000 1.154 288 P CA 1.678 64.295 63.100 -0.806 0.000 0.865 288 P CB 0.138 30.909 31.700 -1.549 0.000 0.789 289 K N -0.386 119.812 120.400 -0.337 0.000 2.148 289 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 289 K C 2.015 178.539 176.600 -0.127 0.000 1.050 289 K CA 1.117 57.286 56.287 -0.197 0.000 0.942 289 K CB -0.184 32.228 32.500 -0.147 0.000 0.724 289 K HN 0.182 nan 8.250 nan 0.000 0.446 290 K N 0.506 120.834 120.400 -0.120 0.000 2.103 290 K HA -0.028 4.292 4.320 -0.000 0.000 0.204 290 K C 2.221 178.785 176.600 -0.059 0.000 1.052 290 K CA 0.958 57.199 56.287 -0.076 0.000 0.945 290 K CB -0.043 32.417 32.500 -0.066 0.000 0.722 290 K HN 0.082 nan 8.250 nan 0.000 0.443 291 A N 1.636 124.413 122.820 -0.071 0.000 1.933 291 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 291 A C 2.111 179.693 177.584 -0.004 0.000 1.175 291 A CA 1.506 53.526 52.037 -0.027 0.000 0.628 291 A CB -0.375 18.628 19.000 0.006 0.000 0.814 291 A HN 0.111 nan 8.150 nan 0.000 0.444 292 R N 0.282 120.768 120.500 -0.023 0.000 2.091 292 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 292 R C 1.927 178.229 176.300 0.002 0.000 1.136 292 R CA 2.102 58.205 56.100 0.005 0.000 0.959 292 R CB -0.544 29.748 30.300 -0.013 0.000 0.856 292 R HN 0.715 nan 8.270 nan 0.000 0.437 293 E N -0.935 119.256 120.200 -0.015 0.000 2.038 293 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 293 E C 2.160 178.758 176.600 -0.003 0.000 1.000 293 E CA 1.714 58.108 56.400 -0.010 0.000 0.803 293 E CB -0.281 29.409 29.700 -0.018 0.000 0.750 293 E HN 0.354 nan 8.360 nan 0.000 0.448 294 C N 0.199 119.495 119.300 -0.007 0.000 2.413 294 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 294 C C 2.817 177.807 174.990 0.001 0.000 1.265 294 C CA 1.013 60.027 59.018 -0.007 0.000 1.752 294 C CB -0.815 26.915 27.740 -0.018 0.000 1.998 294 C HN 0.461 nan 8.230 nan 0.000 0.489 295 V N -1.257 118.664 119.914 0.011 0.000 2.992 295 V HA 0.518 4.638 4.120 -0.000 0.000 0.250 295 V C 1.155 177.267 176.094 0.030 0.000 1.090 295 V CA 0.999 63.313 62.300 0.024 0.000 1.101 295 V CB -1.242 30.605 31.823 0.040 0.000 0.743 295 V HN 0.806 nan 8.190 nan 0.000 0.468 296 G N 0.918 109.734 108.800 0.027 0.000 2.632 296 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.224 296 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.224 296 G C 0.468 175.390 174.900 0.036 0.000 1.341 296 G CA 0.336 45.452 45.100 0.027 0.000 0.880 296 G HN 0.489 nan 8.290 nan 0.000 0.566 297 K N -0.267 120.152 120.400 0.031 0.000 2.361 297 K HA 0.108 4.428 4.320 -0.000 0.000 0.194 297 K C 2.353 178.977 176.600 0.040 0.000 1.032 297 K CA 1.533 57.839 56.287 0.033 0.000 1.048 297 K CB -0.211 32.297 32.500 0.014 0.000 0.842 297 K HN 0.649 nan 8.250 nan 0.000 0.526 298 T N 0.196 114.775 114.554 0.042 0.000 3.088 298 T HA 0.039 4.389 4.350 -0.000 0.000 0.259 298 T C 0.589 175.324 174.700 0.060 0.000 1.122 298 T CA 0.477 62.605 62.100 0.048 0.000 1.095 298 T CB -0.091 68.803 68.868 0.045 0.000 0.930 298 T HN 0.024 nan 8.240 nan 0.000 0.508 299 V N -1.142 118.810 119.914 0.063 0.000 3.001 299 V HA 0.715 4.834 4.120 -0.000 0.000 0.314 299 V C -0.262 175.875 176.094 0.072 0.000 1.099 299 V CA -0.895 61.444 62.300 0.065 0.000 0.989 299 V CB 1.538 33.402 31.823 0.068 0.000 1.040 299 V HN 0.010 nan 8.190 nan 0.000 0.434 300 T N 4.420 119.006 114.554 0.055 0.000 2.856 300 T HA 0.623 4.973 4.350 -0.000 0.000 0.292 300 T C -0.135 174.616 174.700 0.085 0.000 0.980 300 T CA -0.135 62.002 62.100 0.061 0.000 1.091 300 T CB 0.698 69.562 68.868 -0.007 0.000 0.936 300 T HN 0.604 nan 8.240 nan 0.000 0.503 301 L N 2.935 124.244 121.223 0.144 0.000 2.343 301 L HA 0.593 4.933 4.340 -0.000 0.000 0.275 301 L C 0.201 177.143 176.870 0.120 0.000 1.056 301 L CA -0.749 54.195 54.840 0.174 0.000 0.804 301 L CB 1.348 43.594 42.059 0.312 0.000 1.203 301 L HN 0.546 nan 8.230 nan 0.000 0.440 302 Q N 1.256 121.104 119.800 0.080 0.000 2.347 302 Q HA 0.682 5.022 4.340 -0.000 0.000 0.271 302 Q C -0.595 175.405 176.000 0.001 0.000 1.064 302 Q CA -0.126 55.665 55.803 -0.021 0.000 0.800 302 Q CB 2.558 31.306 28.738 0.017 0.000 1.304 302 Q HN 0.840 nan 8.270 nan 0.000 0.438 303 G N 2.378 111.133 108.800 -0.076 0.000 2.278 303 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.265 303 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.265 303 G C -1.355 173.629 174.900 0.140 0.000 1.329 303 G CA -0.081 45.042 45.100 0.039 0.000 1.017 303 G HN 0.841 nan 8.290 nan 0.000 0.472 304 N N -0.518 118.376 118.700 0.323 0.000 2.547 304 N HA 0.324 5.064 4.740 -0.000 0.000 0.285 304 N C -0.282 175.388 175.510 0.267 0.000 1.600 304 N CA -0.314 52.916 53.050 0.300 0.000 0.872 304 N CB 0.497 39.227 38.487 0.404 0.000 1.412 304 N HN 0.721 nan 8.380 nan 0.000 0.489 305 L N 1.597 122.904 121.223 0.140 0.000 2.499 305 L HA 0.177 4.517 4.340 -0.000 0.000 0.273 305 L C 0.276 177.096 176.870 -0.084 0.000 1.195 305 L CA 0.178 55.032 54.840 0.025 0.000 0.882 305 L CB 0.202 42.196 42.059 -0.108 0.000 1.133 305 L HN 0.176 nan 8.230 nan 0.000 0.483 306 D N 7.115 127.444 120.400 -0.118 0.000 2.570 306 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 306 D C -1.689 174.298 176.300 -0.521 0.000 1.171 306 D CA -1.109 52.579 54.000 -0.519 0.000 0.879 306 D CB 1.080 41.529 40.800 -0.584 0.000 1.143 306 D HN 0.375 nan 8.370 nan 0.000 0.511 307 P HA -0.116 nan 4.420 nan 0.000 0.218 307 P C 1.350 178.292 177.300 -0.596 0.000 1.148 307 P CA 0.672 63.378 63.100 -0.656 0.000 0.822 307 P CB 0.100 31.289 31.700 -0.851 0.000 0.784 308 C N -0.688 118.352 119.300 -0.433 0.000 2.419 308 C HA 0.037 4.497 4.460 -0.000 0.000 0.283 308 C C 2.814 177.660 174.990 -0.240 0.000 1.373 308 C CA 0.843 59.705 59.018 -0.260 0.000 1.781 308 C CB -1.938 25.819 27.740 0.029 0.000 1.886 308 C HN 0.240 nan 8.230 nan 0.000 0.520 309 A N 0.491 123.151 122.820 -0.267 0.000 2.076 309 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 309 A C 1.917 179.407 177.584 -0.157 0.000 1.160 309 A CA 1.230 53.167 52.037 -0.166 0.000 0.653 309 A CB -0.526 18.374 19.000 -0.167 0.000 0.801 309 A HN 0.684 nan 8.150 nan 0.000 0.455 310 L N -1.942 119.099 121.223 -0.303 0.000 2.622 310 L HA -0.079 4.261 4.340 -0.000 0.000 0.233 310 L C 1.721 178.558 176.870 -0.055 0.000 1.156 310 L CA 0.511 55.218 54.840 -0.222 0.000 0.866 310 L CB -0.514 41.322 42.059 -0.372 0.000 0.980 310 L HN 0.520 nan 8.230 nan 0.000 0.448 311 Y N 0.304 120.621 120.300 0.027 0.000 2.516 311 Y HA 0.103 4.653 4.550 -0.000 0.000 0.291 311 Y C 1.895 177.854 175.900 0.099 0.000 1.131 311 Y CA -0.383 57.740 58.100 0.038 0.000 1.281 311 Y CB 0.044 38.502 38.460 -0.003 0.000 1.013 311 Y HN 0.181 nan 8.280 nan 0.000 0.554 312 A N 0.439 123.390 122.820 0.219 0.000 2.251 312 A HA 0.325 4.645 4.320 -0.000 0.000 0.278 312 A C 0.534 178.213 177.584 0.158 0.000 1.206 312 A CA -0.123 52.002 52.037 0.147 0.000 0.822 312 A CB -0.161 18.877 19.000 0.063 0.000 1.187 312 A HN 0.251 nan 8.150 nan 0.000 0.504 313 S N -1.004 114.734 115.700 0.064 0.000 2.592 313 S HA 0.152 4.622 4.470 -0.000 0.000 0.271 313 S C 0.623 175.116 174.600 -0.178 0.000 1.326 313 S CA 0.283 58.473 58.200 -0.016 0.000 1.024 313 S CB 0.569 63.775 63.200 0.010 0.000 0.921 313 S HN 0.661 nan 8.310 nan 0.000 0.527 314 E N 1.115 121.110 120.200 -0.343 0.000 2.114 314 E HA -0.297 4.053 4.350 -0.000 0.000 0.199 314 E C 1.855 178.389 176.600 -0.109 0.000 1.008 314 E CA 1.785 58.018 56.400 -0.278 0.000 0.810 314 E CB -0.219 29.346 29.700 -0.225 0.000 0.739 314 E HN 0.946 nan 8.360 nan 0.000 0.456 315 E N 1.187 121.350 120.200 -0.063 0.000 2.051 315 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 315 E C 1.872 178.467 176.600 -0.009 0.000 0.991 315 E CA 1.331 57.720 56.400 -0.017 0.000 0.799 315 E CB 0.044 29.741 29.700 -0.005 0.000 0.748 315 E HN 0.234 nan 8.360 nan 0.000 0.449 316 E N 0.495 120.684 120.200 -0.017 0.000 2.051 316 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 316 E C 2.182 178.776 176.600 -0.009 0.000 0.991 316 E CA 1.601 57.996 56.400 -0.008 0.000 0.799 316 E CB -0.126 29.574 29.700 0.001 0.000 0.748 316 E HN 0.364 nan 8.360 nan 0.000 0.449 317 I N 0.572 121.127 120.570 -0.025 0.000 2.151 317 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 317 I C 2.498 178.634 176.117 0.032 0.000 1.080 317 I CA 1.361 62.659 61.300 -0.004 0.000 1.339 317 I CB -0.763 37.216 38.000 -0.035 0.000 1.039 317 I HN 0.231 nan 8.210 nan 0.000 0.409 318 G N 0.201 109.020 108.800 0.031 0.000 2.476 318 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 318 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 318 G C 1.546 176.452 174.900 0.010 0.000 1.164 318 G CA 0.832 45.985 45.100 0.088 0.000 0.768 318 G HN 0.462 nan 8.290 nan 0.000 0.560 319 Q N -0.222 119.571 119.800 -0.013 0.000 2.119 319 Q HA 0.101 4.441 4.340 -0.000 0.000 0.201 319 Q C 2.666 178.628 176.000 -0.064 0.000 0.972 319 Q CA 0.778 56.545 55.803 -0.060 0.000 0.847 319 Q CB -0.237 28.486 28.738 -0.025 0.000 0.903 319 Q HN 0.441 nan 8.270 nan 0.000 0.433 320 L N -0.137 121.074 121.223 -0.020 0.000 2.093 320 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 320 L C 2.287 179.173 176.870 0.026 0.000 1.085 320 L CA 0.593 55.435 54.840 0.003 0.000 0.755 320 L CB -0.322 41.745 42.059 0.013 0.000 0.904 320 L HN 0.095 nan 8.230 nan 0.000 0.435 321 V N 0.189 120.126 119.914 0.038 0.000 2.358 321 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 321 V C 2.584 178.663 176.094 -0.025 0.000 1.047 321 V CA 1.866 64.208 62.300 0.070 0.000 1.035 321 V CB -0.528 31.348 31.823 0.088 0.000 0.658 321 V HN 0.465 nan 8.190 nan 0.000 0.452 322 K N 0.092 120.356 120.400 -0.226 0.000 2.032 322 K HA -0.311 4.009 4.320 -0.000 0.000 0.209 322 K C 2.276 178.802 176.600 -0.124 0.000 1.048 322 K CA 2.248 58.325 56.287 -0.350 0.000 0.927 322 K CB -0.171 31.948 32.500 -0.635 0.000 0.712 322 K HN 0.405 nan 8.250 nan 0.000 0.441 323 Q N 0.963 120.714 119.800 -0.082 0.000 2.084 323 Q HA -0.155 4.184 4.340 -0.000 0.000 0.202 323 Q C 2.070 178.069 176.000 -0.001 0.000 0.978 323 Q CA 1.977 57.757 55.803 -0.038 0.000 0.844 323 Q CB -0.228 28.491 28.738 -0.030 0.000 0.898 323 Q HN 0.456 nan 8.270 nan 0.000 0.426 324 M N -0.945 118.687 119.600 0.053 0.000 2.080 324 M HA -0.190 4.289 4.480 -0.000 0.000 0.260 324 M C 1.266 177.682 176.300 0.193 0.000 1.068 324 M CA 1.410 56.799 55.300 0.148 0.000 1.109 324 M CB -0.071 32.685 32.600 0.260 0.000 1.342 324 M HN 0.361 nan 8.290 nan 0.000 0.405 325 L N 0.743 122.067 121.223 0.168 0.000 2.046 325 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 325 L C 2.005 178.919 176.870 0.074 0.000 1.077 325 L CA 1.786 56.727 54.840 0.169 0.000 0.747 325 L CB -1.192 40.976 42.059 0.182 0.000 0.896 325 L HN 0.299 nan 8.230 nan 0.000 0.432 326 D N -0.298 120.118 120.400 0.028 0.000 2.123 326 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 326 D C 1.785 178.062 176.300 -0.039 0.000 0.992 326 D CA 1.355 55.352 54.000 -0.004 0.000 0.833 326 D CB -0.166 40.623 40.800 -0.019 0.000 0.954 326 D HN 0.314 nan 8.370 nan 0.000 0.455 327 D N -0.619 119.732 120.400 -0.082 0.000 2.117 327 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 327 D C 2.001 178.138 176.300 -0.273 0.000 0.982 327 D CA 0.504 54.391 54.000 -0.188 0.000 0.828 327 D CB -0.442 40.196 40.800 -0.269 0.000 0.967 327 D HN 0.248 nan 8.370 nan 0.000 0.464 328 F N 0.560 120.349 119.950 -0.269 0.000 2.206 328 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 328 F C 1.759 177.410 175.800 -0.248 0.000 1.090 328 F CA 1.000 58.749 58.000 -0.419 0.000 1.323 328 F CB -0.136 38.187 39.000 -1.128 0.000 1.028 328 F HN 0.029 nan 8.300 nan 0.000 0.492 329 G N 0.016 108.820 108.800 0.005 0.000 2.781 329 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.683 329 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.683 329 G C -2.149 172.759 174.900 0.015 0.000 1.390 329 G CA -0.418 44.691 45.100 0.014 0.000 0.850 329 G HN 0.061 nan 8.290 nan 0.000 0.557 330 P HA 0.043 nan 4.420 nan 0.000 0.231 330 P C 0.359 177.571 177.300 -0.148 0.000 1.168 330 P CA 0.895 63.911 63.100 -0.140 0.000 0.779 330 P CB 0.096 31.630 31.700 -0.277 0.000 0.844 331 H N 0.824 119.960 119.070 0.109 0.000 2.481 331 H HA 0.317 4.873 4.556 -0.000 0.000 0.339 331 H C 0.530 175.931 175.328 0.123 0.000 1.131 331 H CA -0.518 55.586 56.048 0.093 0.000 1.301 331 H CB 0.617 30.420 29.762 0.068 0.000 1.476 331 H HN -0.064 nan 8.280 nan 0.000 0.529 332 R N 0.519 121.148 120.500 0.215 0.000 3.188 332 R HA -0.250 4.090 4.340 -0.000 0.000 0.247 332 R C -1.366 175.056 176.300 0.204 0.000 0.918 332 R CA 0.536 56.732 56.100 0.160 0.000 0.629 332 R CB -1.625 28.765 30.300 0.149 0.000 1.087 332 R HN 0.507 nan 8.270 nan 0.000 0.462 333 Y N 0.179 120.469 120.300 -0.016 0.000 2.401 333 Y HA 0.515 5.065 4.550 -0.000 0.000 0.330 333 Y C -1.040 174.796 175.900 -0.106 0.000 1.071 333 Y CA -1.651 56.392 58.100 -0.094 0.000 1.049 333 Y CB 1.252 39.653 38.460 -0.098 0.000 1.239 333 Y HN 0.133 nan 8.280 nan 0.000 0.437 334 I N 5.913 126.186 120.570 -0.496 0.000 2.389 334 I HA 0.656 4.826 4.170 -0.000 0.000 0.288 334 I C 0.036 175.637 176.117 -0.860 0.000 0.999 334 I CA -0.935 60.074 61.300 -0.485 0.000 1.129 334 I CB 1.649 39.615 38.000 -0.057 0.000 1.288 334 I HN 0.821 nan 8.210 nan 0.000 0.444 335 A N 5.874 128.154 122.820 -0.900 0.000 2.425 335 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 335 A C -0.150 177.257 177.584 -0.295 0.000 1.084 335 A CA 0.102 51.753 52.037 -0.642 0.000 0.781 335 A CB 0.413 19.153 19.000 -0.434 0.000 1.019 335 A HN 0.786 nan 8.150 nan 0.000 0.490 336 N N 0.398 119.007 118.700 -0.151 0.000 3.179 336 N HA 0.375 5.115 4.740 -0.000 0.000 0.250 336 N C -1.075 174.373 175.510 -0.104 0.000 1.507 336 N CA -0.581 52.332 53.050 -0.229 0.000 0.883 336 N CB 0.648 38.776 38.487 -0.598 0.000 1.435 336 N HN 0.483 nan 8.380 nan 0.000 0.532 337 L N -0.032 120.997 121.223 -0.323 0.000 2.479 337 L HA 0.396 4.736 4.340 -0.000 0.000 0.248 337 L C 1.862 178.655 176.870 -0.129 0.000 1.205 337 L CA -0.121 54.526 54.840 -0.322 0.000 0.817 337 L CB 0.408 42.179 42.059 -0.481 0.000 1.162 337 L HN 0.813 nan 8.230 nan 0.000 0.486 338 G N -2.168 106.684 108.800 0.086 0.000 2.880 338 G HA2 0.035 3.995 3.960 -0.000 0.000 0.209 338 G HA3 0.035 3.995 3.960 -0.000 0.000 0.209 338 G C 0.337 175.543 174.900 0.510 0.000 1.157 338 G CA 0.260 45.587 45.100 0.378 0.000 0.779 338 G HN 0.676 nan 8.290 nan 0.000 0.539 339 H N -2.167 116.976 119.070 0.121 0.000 2.948 339 H HA 0.414 4.970 4.556 -0.000 0.000 0.315 339 H C 0.007 175.210 175.328 -0.208 0.000 1.360 339 H CA -0.767 55.333 56.048 0.086 0.000 1.125 339 H CB 1.398 31.375 29.762 0.357 0.000 1.844 339 H HN 0.140 nan 8.280 nan 0.000 0.529 340 G N 1.110 109.607 108.800 -0.506 0.000 2.554 340 G HA2 0.256 4.216 3.960 -0.000 0.000 0.238 340 G HA3 0.256 4.216 3.960 -0.000 0.000 0.238 340 G C -0.121 174.411 174.900 -0.613 0.000 1.259 340 G CA -0.498 44.300 45.100 -0.504 0.000 0.843 340 G HN 0.426 nan 8.290 nan 0.000 0.582 341 L N 0.679 121.560 121.223 -0.570 0.000 2.525 341 L HA 0.064 4.404 4.340 -0.000 0.000 0.278 341 L C 0.071 176.650 176.870 -0.485 0.000 1.218 341 L CA 0.025 54.468 54.840 -0.662 0.000 0.878 341 L CB 0.151 41.762 42.059 -0.746 0.000 1.127 341 L HN 0.476 nan 8.230 nan 0.000 0.492 342 Y N 3.550 123.703 120.300 -0.246 0.000 2.301 342 Y HA 0.146 4.696 4.550 -0.000 0.000 0.328 342 Y C -1.122 174.748 175.900 -0.050 0.000 1.242 342 Y CA -1.871 56.164 58.100 -0.109 0.000 1.323 342 Y CB 0.302 38.738 38.460 -0.040 0.000 1.266 342 Y HN 0.502 nan 8.280 nan 0.000 0.527 343 P HA -0.122 nan 4.420 nan 0.000 0.239 343 P C 0.119 177.514 177.300 0.160 0.000 1.184 343 P CA 1.203 64.390 63.100 0.145 0.000 0.760 343 P CB 0.154 31.915 31.700 0.102 0.000 0.884 344 D N -1.825 118.687 120.400 0.186 0.000 2.462 344 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 344 D C 0.348 176.773 176.300 0.209 0.000 1.173 344 D CA -0.311 53.796 54.000 0.177 0.000 0.831 344 D CB -0.405 40.486 40.800 0.151 0.000 1.001 344 D HN 0.104 nan 8.370 nan 0.000 0.499 345 M N 0.868 120.561 119.600 0.156 0.000 2.255 345 M HA 0.132 4.612 4.480 -0.000 0.000 0.336 345 M C 0.051 176.411 176.300 0.099 0.000 1.135 345 M CA -0.418 54.907 55.300 0.042 0.000 1.145 345 M CB 1.170 33.647 32.600 -0.205 0.000 1.473 345 M HN -0.202 nan 8.290 nan 0.000 0.462 346 D N 3.262 123.659 120.400 -0.004 0.000 2.317 346 D HA 0.177 4.817 4.640 -0.000 0.000 0.252 346 D C -1.927 174.467 176.300 0.157 0.000 1.174 346 D CA -2.007 52.001 54.000 0.013 0.000 0.866 346 D CB 1.315 41.962 40.800 -0.255 0.000 1.127 346 D HN 0.206 nan 8.370 nan 0.000 0.467 347 P HA -0.152 nan 4.420 nan 0.000 0.217 347 P C 0.948 178.480 177.300 0.386 0.000 1.148 347 P CA 0.941 64.322 63.100 0.468 0.000 0.828 347 P CB 0.391 32.334 31.700 0.405 0.000 0.783 348 E N -1.425 118.954 120.200 0.297 0.000 2.153 348 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 348 E C 2.012 178.764 176.600 0.253 0.000 0.988 348 E CA 1.118 57.690 56.400 0.287 0.000 0.811 348 E CB -0.776 29.084 29.700 0.266 0.000 0.746 348 E HN 0.569 nan 8.360 nan 0.000 0.466 349 H N -0.392 118.693 119.070 0.026 0.000 2.436 349 H HA 0.014 4.570 4.556 -0.000 0.000 0.294 349 H C 2.192 177.451 175.328 -0.116 0.000 1.048 349 H CA 0.749 56.776 56.048 -0.035 0.000 1.353 349 H CB 0.511 30.246 29.762 -0.045 0.000 1.414 349 H HN -0.032 nan 8.280 nan 0.000 0.536 350 V N 0.535 120.401 119.914 -0.080 0.000 2.343 350 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 350 V C 2.731 178.530 176.094 -0.492 0.000 1.051 350 V CA 1.868 63.961 62.300 -0.345 0.000 1.036 350 V CB -0.958 30.566 31.823 -0.499 0.000 0.654 350 V HN 0.548 nan 8.190 nan 0.000 0.451 351 G N -0.363 108.147 108.800 -0.484 0.000 2.418 351 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 351 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 351 G C 1.785 176.629 174.900 -0.092 0.000 1.158 351 G CA 1.048 46.003 45.100 -0.241 0.000 0.771 351 G HN 0.613 nan 8.290 nan 0.000 0.545 352 A N 0.476 123.267 122.820 -0.049 0.000 1.908 352 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 352 A C 2.167 179.729 177.584 -0.036 0.000 1.181 352 A CA 1.744 53.755 52.037 -0.045 0.000 0.627 352 A CB -0.572 18.377 19.000 -0.085 0.000 0.818 352 A HN 0.458 nan 8.150 nan 0.000 0.445 353 F N 0.769 120.606 119.950 -0.187 0.000 2.075 353 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 353 F C 2.230 177.908 175.800 -0.203 0.000 1.113 353 F CA 1.976 59.864 58.000 -0.186 0.000 1.218 353 F CB -0.593 38.268 39.000 -0.232 0.000 0.984 353 F HN 0.021 nan 8.300 nan 0.000 0.472 354 V N 0.939 120.596 119.914 -0.428 0.000 2.255 354 V HA -0.332 3.787 4.120 -0.000 0.000 0.247 354 V C 2.217 177.995 176.094 -0.526 0.000 1.051 354 V CA 2.343 64.309 62.300 -0.556 0.000 1.018 354 V CB -0.809 30.829 31.823 -0.309 0.000 0.641 354 V HN 0.306 nan 8.190 nan 0.000 0.445 355 D N 0.338 120.583 120.400 -0.258 0.000 2.123 355 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 355 D C 2.177 178.387 176.300 -0.151 0.000 0.992 355 D CA 1.767 55.682 54.000 -0.143 0.000 0.833 355 D CB -0.353 40.414 40.800 -0.055 0.000 0.954 355 D HN 0.467 nan 8.370 nan 0.000 0.455 356 A N 0.478 123.209 122.820 -0.150 0.000 1.929 356 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 356 A C 2.527 180.102 177.584 -0.016 0.000 1.176 356 A CA 0.872 52.892 52.037 -0.028 0.000 0.628 356 A CB -0.585 18.471 19.000 0.093 0.000 0.816 356 A HN 0.131 nan 8.150 nan 0.000 0.444 357 V N -0.136 119.635 119.914 -0.237 0.000 2.255 357 V HA -0.343 3.777 4.120 -0.000 0.000 0.247 357 V C 2.302 178.392 176.094 -0.007 0.000 1.051 357 V CA 2.447 64.628 62.300 -0.198 0.000 1.018 357 V CB -1.251 30.292 31.823 -0.467 0.000 0.641 357 V HN 0.743 nan 8.190 nan 0.000 0.445 358 H N -0.152 118.868 119.070 -0.083 0.000 2.293 358 H HA -0.201 4.355 4.556 -0.000 0.000 0.300 358 H C 2.466 177.750 175.328 -0.074 0.000 1.082 358 H CA 1.850 57.851 56.048 -0.078 0.000 1.308 358 H CB -0.007 29.649 29.762 -0.178 0.000 1.375 358 H HN 0.337 nan 8.280 nan 0.000 0.495 359 K N 0.404 120.810 120.400 0.010 0.000 2.002 359 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 359 K C 1.888 178.415 176.600 -0.121 0.000 1.048 359 K CA 1.565 57.786 56.287 -0.110 0.000 0.930 359 K CB -0.075 32.288 32.500 -0.227 0.000 0.714 359 K HN 0.442 nan 8.250 nan 0.000 0.438 360 H N 0.297 119.381 119.070 0.023 0.000 2.457 360 H HA -0.057 4.499 4.556 -0.000 0.000 0.294 360 H C 2.417 177.778 175.328 0.056 0.000 1.064 360 H CA 1.607 57.675 56.048 0.033 0.000 1.330 360 H CB 0.035 29.813 29.762 0.026 0.000 1.395 360 H HN 0.446 nan 8.280 nan 0.000 0.541 361 S N 0.672 116.477 115.700 0.176 0.000 2.395 361 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 361 S C 2.094 176.772 174.600 0.129 0.000 1.027 361 S CA 0.160 58.458 58.200 0.163 0.000 0.965 361 S CB 0.038 63.354 63.200 0.194 0.000 0.812 361 S HN 0.283 nan 8.310 nan 0.000 0.482 362 R N 0.398 120.967 120.500 0.114 0.000 2.066 362 R HA 0.055 4.395 4.340 -0.000 0.000 0.232 362 R C 2.356 178.688 176.300 0.054 0.000 1.131 362 R CA 1.308 57.455 56.100 0.078 0.000 0.955 362 R CB -0.790 29.535 30.300 0.041 0.000 0.851 362 R HN 0.387 nan 8.270 nan 0.000 0.432 363 L N 1.379 122.631 121.223 0.048 0.000 2.012 363 L HA -0.155 4.184 4.340 -0.000 0.000 0.210 363 L C 2.098 179.007 176.870 0.065 0.000 1.073 363 L CA 1.519 56.389 54.840 0.049 0.000 0.748 363 L CB -0.753 41.337 42.059 0.052 0.000 0.891 363 L HN 0.127 nan 8.230 nan 0.000 0.431 364 L N -0.373 120.900 121.223 0.084 0.000 2.046 364 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 364 L C 2.685 179.581 176.870 0.044 0.000 1.077 364 L CA 1.665 56.545 54.840 0.067 0.000 0.747 364 L CB -0.532 41.573 42.059 0.076 0.000 0.896 364 L HN 0.224 nan 8.230 nan 0.000 0.432 365 R N -0.873 119.654 120.500 0.045 0.000 2.120 365 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 365 R C 1.013 177.332 176.300 0.031 0.000 1.123 365 R CA 0.881 56.999 56.100 0.031 0.000 0.975 365 R CB -0.191 30.133 30.300 0.039 0.000 0.866 365 R HN 0.542 nan 8.270 nan 0.000 0.446 366 Q N 0.000 119.820 119.800 0.034 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.820 55.803 0.029 0.000 1.022 366 Q CB 0.000 28.753 28.738 0.026 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481