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 2uut_1_A DATA FIRST_RESID 1 DATA SEQUENCE DEFQWKGLPV VKSGLDVGGM PTGTRYHRSP AWPEEQPGET HAPAPFGSGD DATA SEQUENCE KRYTFSQTEM LVNGLKPYTE PTAGVPPQLL SRAVTHVRSY IETIIGTHRS DATA SEQUENCE PVLTYHQACE LLERTTSCGP FVQGLKGDYW DEEQQQYTGV LANHLEQAWD DATA SEQUENCE KANKGIAPRN AYKLALKDEL RPIEKNKAGK RRLLWGCDAA TTLIATAAFK DATA SEQUENCE AVATRLQVVT PMTPVAVGIN MDSVQMQVMN DSLKGGVLYC LDYSKWDSTQ DATA SEQUENCE NPAVTAASLA ILERFAEPHP IVSCAIEALS SPAEGYVNDI KFVTRGGLPS DATA SEQUENCE GMPFTSVVNS INHMIYVAAA ILQAYESHNV PYTGNVFQVE TIHTYGGDCM DATA SEQUENCE YSVCPATASI FHTVLANLTS YGLKPTAIKP TNTPVFLKRT FTQTPHGIRA DATA SEQUENCE LLDITSITRQ FYWLKANRTS DPSSPPAFDR QARSAQLENA LAYASQHGPV DATA SEQUENCE MFDTVRQIAI KTAQGEGLVL VNTNYDQALA TYNAWFIGGT PD 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.387 176.300 0.145 0.000 2.045 1 D CA 0.000 54.052 54.000 0.087 0.000 0.868 1 D CB 0.000 40.848 40.800 0.081 0.000 0.688 2 E N 1.686 121.958 120.200 0.120 0.000 2.313 2 E HA 0.583 4.962 4.350 0.048 0.000 0.272 2 E C -0.675 176.067 176.600 0.237 0.000 1.038 2 E CA -0.494 55.971 56.400 0.108 0.000 0.863 2 E CB 1.035 30.761 29.700 0.044 0.000 1.060 2 E HN 0.351 nan 8.360 nan 0.000 0.402 3 F N -0.208 119.776 119.950 0.056 0.000 2.685 3 F HA 0.429 4.984 4.527 0.046 0.000 0.315 3 F C -1.096 174.773 175.800 0.115 0.000 1.126 3 F CA -1.245 56.800 58.000 0.074 0.000 0.950 3 F CB 0.888 39.928 39.000 0.067 0.000 1.360 3 F HN 0.131 nan 8.300 nan 0.000 0.469 4 Q N 1.300 121.305 119.800 0.341 0.000 2.243 4 Q HA 0.239 4.608 4.340 0.048 0.000 0.252 4 Q C -1.900 174.334 176.000 0.389 0.000 0.909 4 Q CA 0.015 55.962 55.803 0.241 0.000 0.922 4 Q CB 2.088 30.937 28.738 0.185 0.000 1.215 4 Q HN 0.922 nan 8.270 nan 0.000 0.427 5 W N 4.115 125.430 121.300 0.026 0.000 3.036 5 W HA 0.228 4.914 4.660 0.044 0.000 0.337 5 W C -0.318 176.192 176.519 -0.014 0.000 1.055 5 W CA -0.638 56.735 57.345 0.048 0.000 1.248 5 W CB 0.896 30.368 29.460 0.019 0.000 1.335 5 W HN 0.530 nan 8.180 nan 0.000 0.446 6 K N 4.259 124.406 120.400 -0.423 0.000 2.975 6 K HA -0.202 4.147 4.320 0.048 0.000 0.257 6 K C 0.831 177.298 176.600 -0.221 0.000 1.005 6 K CA 1.793 57.804 56.287 -0.459 0.000 0.738 6 K CB -1.698 30.299 32.500 -0.839 0.000 1.236 6 K HN 1.659 nan 8.250 nan 0.000 0.483 7 G N -0.936 107.811 108.800 -0.088 0.000 2.176 7 G HA2 -0.307 3.681 3.960 0.048 0.000 0.253 7 G HA3 -0.307 3.681 3.960 0.048 0.000 0.253 7 G C 0.076 174.976 174.900 -0.001 0.000 0.979 7 G CA 0.354 45.433 45.100 -0.035 0.000 0.641 7 G HN 0.250 nan 8.290 nan 0.000 0.530 8 L N 1.817 123.054 121.223 0.024 0.000 2.322 8 L HA 0.512 4.881 4.340 0.048 0.000 0.279 8 L C -1.892 175.050 176.870 0.120 0.000 1.036 8 L CA -2.425 52.451 54.840 0.059 0.000 0.807 8 L CB 1.838 43.898 42.059 0.002 0.000 1.226 8 L HN -0.096 nan 8.230 nan 0.000 0.433 9 P HA 0.281 nan 4.420 nan 0.000 0.280 9 P C -0.911 176.449 177.300 0.100 0.000 1.244 9 P CA -0.189 62.973 63.100 0.103 0.000 0.784 9 P CB 2.006 33.776 31.700 0.116 0.000 0.913 10 V N 3.112 122.945 119.914 -0.135 0.000 3.167 10 V HA 0.394 4.543 4.120 0.048 0.000 0.293 10 V C -0.812 174.964 176.094 -0.530 0.000 1.379 10 V CA -0.709 61.406 62.300 -0.308 0.000 1.019 10 V CB 2.848 34.413 31.823 -0.430 0.000 1.115 10 V HN 0.374 nan 8.190 nan 0.000 0.442 11 V N 3.164 122.844 119.914 -0.389 0.000 3.078 11 V HA 0.623 4.772 4.120 0.048 0.000 0.311 11 V C -0.763 175.258 176.094 -0.121 0.000 1.138 11 V CA -0.885 61.285 62.300 -0.217 0.000 1.007 11 V CB 2.561 34.332 31.823 -0.086 0.000 1.045 11 V HN 0.832 nan 8.190 nan 0.000 0.432 12 K N 2.004 122.458 120.400 0.090 0.000 2.368 12 K HA 0.195 4.544 4.320 0.048 0.000 0.282 12 K C 1.104 177.707 176.600 0.004 0.000 1.035 12 K CA 0.635 56.970 56.287 0.079 0.000 0.973 12 K CB 1.365 33.948 32.500 0.138 0.000 0.957 12 K HN 0.876 nan 8.250 nan 0.000 0.474 13 S N 1.517 117.203 115.700 -0.023 0.000 2.527 13 S HA 0.018 4.517 4.470 0.048 0.000 0.222 13 S C 1.330 175.996 174.600 0.111 0.000 0.985 13 S CA 0.553 58.753 58.200 -0.000 0.000 0.921 13 S CB -0.056 63.107 63.200 -0.061 0.000 0.772 13 S HN 0.871 nan 8.310 nan 0.000 0.529 14 G N 0.538 109.390 108.800 0.087 0.000 2.179 14 G HA2 -0.212 3.777 3.960 0.048 0.000 0.260 14 G HA3 -0.212 3.777 3.960 0.048 0.000 0.260 14 G C -0.083 174.881 174.900 0.106 0.000 0.977 14 G CA 0.586 45.739 45.100 0.088 0.000 0.641 14 G HN 0.568 nan 8.290 nan 0.000 0.533 15 L N -0.853 120.455 121.223 0.141 0.000 2.250 15 L HA 0.834 5.202 4.340 0.048 0.000 0.252 15 L C -0.923 176.013 176.870 0.110 0.000 1.054 15 L CA -1.158 53.766 54.840 0.140 0.000 0.856 15 L CB 1.969 44.155 42.059 0.212 0.000 1.443 15 L HN 0.054 nan 8.230 nan 0.000 0.427 16 D N -0.647 119.807 120.400 0.090 0.000 2.757 16 D HA 0.369 5.038 4.640 0.048 0.000 0.249 16 D C -0.568 175.770 176.300 0.064 0.000 1.168 16 D CA -0.272 53.770 54.000 0.069 0.000 0.870 16 D CB 2.524 43.354 40.800 0.049 0.000 1.411 16 D HN 0.150 nan 8.370 nan 0.000 0.525 17 V N 2.417 122.368 119.914 0.062 0.000 3.605 17 V HA 0.512 4.661 4.120 0.048 0.000 0.284 17 V C 0.992 177.103 176.094 0.028 0.000 1.386 17 V CA 0.913 63.237 62.300 0.041 0.000 1.053 17 V CB -0.266 31.589 31.823 0.053 0.000 0.857 17 V HN 0.953 nan 8.190 nan 0.000 0.436 18 G N -0.512 108.309 108.800 0.034 0.000 2.712 18 G HA2 0.160 4.148 3.960 0.048 0.000 0.683 18 G HA3 0.160 4.148 3.960 0.048 0.000 0.683 18 G C 0.128 175.050 174.900 0.037 0.000 1.320 18 G CA -0.455 44.666 45.100 0.034 0.000 0.847 18 G HN 0.759 nan 8.290 nan 0.000 0.553 19 G N -1.226 107.600 108.800 0.045 0.000 2.606 19 G HA2 0.657 4.646 3.960 0.048 0.000 0.262 19 G HA3 0.657 4.646 3.960 0.048 0.000 0.262 19 G C 0.120 175.048 174.900 0.047 0.000 1.394 19 G CA -0.408 44.725 45.100 0.055 0.000 1.044 19 G HN 0.836 nan 8.290 nan 0.000 0.553 20 M N 2.299 121.931 119.600 0.054 0.000 2.184 20 M HA 0.275 4.783 4.480 0.048 0.000 0.351 20 M C -1.701 174.633 176.300 0.056 0.000 1.395 20 M CA -1.881 53.447 55.300 0.046 0.000 1.117 20 M CB 0.850 33.479 32.600 0.048 0.000 1.708 20 M HN 0.215 nan 8.290 nan 0.000 0.468 21 P HA 0.019 nan 4.420 nan 0.000 0.267 21 P C -0.532 176.821 177.300 0.090 0.000 1.201 21 P CA -0.137 62.999 63.100 0.060 0.000 0.775 21 P CB 0.302 32.030 31.700 0.046 0.000 0.854 22 T N -0.138 114.476 114.554 0.100 0.000 2.895 22 T HA 0.579 4.957 4.350 0.048 0.000 0.283 22 T C 0.235 175.030 174.700 0.158 0.000 1.014 22 T CA 0.760 62.951 62.100 0.152 0.000 1.037 22 T CB 0.352 69.296 68.868 0.127 0.000 1.006 22 T HN 0.869 nan 8.240 nan 0.000 0.468 23 G N 1.961 110.946 108.800 0.308 0.000 2.796 23 G HA2 0.028 4.017 3.960 0.048 0.000 0.226 23 G HA3 0.028 4.017 3.960 0.048 0.000 0.226 23 G C -0.148 174.538 174.900 -0.356 0.000 1.381 23 G CA -0.110 44.996 45.100 0.010 0.000 0.867 23 G HN 1.273 nan 8.290 nan 0.000 0.552 24 T N -1.770 112.430 114.554 -0.589 0.000 2.916 24 T HA 0.640 5.019 4.350 0.048 0.000 0.305 24 T C 1.149 175.719 174.700 -0.217 0.000 1.119 24 T CA -0.108 61.733 62.100 -0.431 0.000 1.008 24 T CB 1.800 70.272 68.868 -0.661 0.000 1.129 24 T HN 0.684 nan 8.240 nan 0.000 0.480 25 R N 1.367 121.805 120.500 -0.104 0.000 2.276 25 R HA 0.145 4.514 4.340 0.048 0.000 0.203 25 R C -0.279 175.977 176.300 -0.075 0.000 1.017 25 R CA 0.498 56.544 56.100 -0.090 0.000 1.010 25 R CB -0.006 30.198 30.300 -0.160 0.000 0.900 25 R HN 0.544 nan 8.270 nan 0.000 0.469 26 Y N 0.277 120.558 120.300 -0.030 0.000 2.393 26 Y HA 0.095 4.671 4.550 0.043 0.000 0.338 26 Y C -0.021 175.941 175.900 0.103 0.000 1.029 26 Y CA -0.108 58.027 58.100 0.059 0.000 1.239 26 Y CB 0.634 39.059 38.460 -0.058 0.000 1.170 26 Y HN 0.013 nan 8.280 nan 0.000 0.515 27 H N 1.272 120.522 119.070 0.299 0.000 2.524 27 H HA 0.395 4.984 4.556 0.054 0.000 0.353 27 H C -0.406 175.147 175.328 0.376 0.000 1.136 27 H CA -1.277 54.938 56.048 0.279 0.000 1.193 27 H CB 1.133 30.965 29.762 0.117 0.000 1.558 27 H HN 0.521 nan 8.280 nan 0.000 0.515 28 R N 1.622 122.340 120.500 0.363 0.000 2.522 28 R HA 0.098 4.467 4.340 0.048 0.000 0.284 28 R C 0.004 176.339 176.300 0.059 0.000 1.032 28 R CA -0.031 56.059 56.100 -0.016 0.000 1.049 28 R CB 0.363 30.545 30.300 -0.197 0.000 0.956 28 R HN 0.647 nan 8.270 nan 0.000 0.422 29 S N 5.018 120.739 115.700 0.035 0.000 2.563 29 S HA 0.044 4.543 4.470 0.048 0.000 0.294 29 S C -1.509 173.156 174.600 0.107 0.000 1.279 29 S CA -1.190 57.080 58.200 0.117 0.000 1.069 29 S CB 0.707 64.088 63.200 0.301 0.000 0.828 29 S HN 0.621 nan 8.310 nan 0.000 0.497 30 P HA -0.029 nan 4.420 nan 0.000 0.219 30 P C 1.029 178.325 177.300 -0.007 0.000 1.146 30 P CA 1.298 64.427 63.100 0.050 0.000 0.808 30 P CB -0.034 31.708 31.700 0.070 0.000 0.779 31 A N -2.472 120.328 122.820 -0.033 0.000 2.119 31 A HA -0.043 4.305 4.320 0.048 0.000 0.216 31 A C 0.635 177.908 177.584 -0.519 0.000 1.152 31 A CA 0.499 52.355 52.037 -0.302 0.000 0.708 31 A CB -0.991 17.778 19.000 -0.385 0.000 0.805 31 A HN 0.245 nan 8.150 nan 0.000 0.460 32 W N -0.193 121.101 121.300 -0.010 0.000 1.759 32 W HA 0.341 5.028 4.660 0.045 0.000 0.291 32 W C -1.980 174.467 176.519 -0.121 0.000 0.855 32 W CA -1.502 55.812 57.345 -0.050 0.000 2.167 32 W CB 0.886 30.346 29.460 -0.000 0.000 2.351 32 W HN 0.169 nan 8.180 nan 0.000 0.423 33 P HA -0.074 nan 4.420 nan 0.000 0.237 33 P C -0.068 177.229 177.300 -0.005 0.000 1.178 33 P CA 1.055 64.158 63.100 0.006 0.000 0.766 33 P CB 0.459 32.153 31.700 -0.010 0.000 0.876 34 E N -0.012 120.197 120.200 0.014 0.000 2.202 34 E HA 0.394 4.772 4.350 0.048 0.000 0.272 34 E C -0.496 176.070 176.600 -0.057 0.000 0.951 34 E CA -1.470 54.925 56.400 -0.007 0.000 0.813 34 E CB 0.468 30.175 29.700 0.012 0.000 1.151 34 E HN -0.192 nan 8.360 nan 0.000 0.398 35 E N 1.907 122.069 120.200 -0.064 0.000 2.328 35 E HA -0.016 4.362 4.350 0.048 0.000 0.265 35 E C -0.579 175.944 176.600 -0.128 0.000 1.057 35 E CA -0.023 56.319 56.400 -0.096 0.000 0.916 35 E CB 0.276 29.950 29.700 -0.043 0.000 0.993 35 E HN 0.219 nan 8.360 nan 0.000 0.446 36 Q N 4.782 124.427 119.800 -0.259 0.000 2.227 36 Q HA 0.342 4.711 4.340 0.048 0.000 0.245 36 Q C -2.047 173.861 176.000 -0.153 0.000 0.926 36 Q CA -2.182 53.459 55.803 -0.270 0.000 0.895 36 Q CB 0.713 29.073 28.738 -0.630 0.000 1.230 36 Q HN 0.531 nan 8.270 nan 0.000 0.450 37 P HA 0.088 nan 4.420 nan 0.000 0.271 37 P C 0.305 177.592 177.300 -0.021 0.000 1.220 37 P CA 0.395 63.474 63.100 -0.036 0.000 0.768 37 P CB 0.477 32.167 31.700 -0.018 0.000 0.848 38 G N 1.720 110.520 108.800 0.001 0.000 2.132 38 G HA2 -0.201 3.788 3.960 0.048 0.000 0.234 38 G HA3 -0.201 3.788 3.960 0.048 0.000 0.234 38 G C -0.093 174.837 174.900 0.051 0.000 0.989 38 G CA -0.341 44.773 45.100 0.024 0.000 0.676 38 G HN 0.610 nan 8.290 nan 0.000 0.522 39 E N -0.011 120.214 120.200 0.042 0.000 2.229 39 E HA 0.488 4.866 4.350 0.048 0.000 0.283 39 E C 0.742 177.421 176.600 0.132 0.000 1.030 39 E CA 0.169 56.627 56.400 0.098 0.000 0.836 39 E CB 1.015 30.746 29.700 0.052 0.000 1.068 39 E HN 0.209 nan 8.360 nan 0.000 0.401 40 T N 1.230 115.905 114.554 0.202 0.000 2.987 40 T HA 0.057 4.436 4.350 0.048 0.000 0.248 40 T C -0.199 174.645 174.700 0.240 0.000 0.997 40 T CA 0.076 62.312 62.100 0.228 0.000 1.013 40 T CB 0.159 69.214 68.868 0.312 0.000 1.077 40 T HN 0.355 nan 8.240 nan 0.000 0.483 41 H N 0.705 119.808 119.070 0.055 0.000 2.499 41 H HA 0.836 5.421 4.556 0.047 0.000 0.340 41 H C -0.276 175.012 175.328 -0.066 0.000 1.148 41 H CA -0.646 55.378 56.048 -0.040 0.000 1.215 41 H CB 1.369 31.060 29.762 -0.117 0.000 1.529 41 H HN 0.344 nan 8.280 nan 0.000 0.510 42 A N 2.648 125.371 122.820 -0.161 0.000 2.593 42 A HA 0.611 4.959 4.320 0.048 0.000 0.290 42 A C -2.903 174.386 177.584 -0.491 0.000 1.126 42 A CA -1.931 49.858 52.037 -0.412 0.000 0.695 42 A CB 0.963 19.960 19.000 -0.004 0.000 1.290 42 A HN 0.502 nan 8.150 nan 0.000 0.414 43 P HA 0.339 nan 4.420 nan 0.000 0.267 43 P C -0.141 177.125 177.300 -0.058 0.000 1.200 43 P CA 0.395 63.292 63.100 -0.339 0.000 0.772 43 P CB 0.622 32.201 31.700 -0.202 0.000 0.855 44 A N 5.017 127.815 122.820 -0.037 0.000 2.332 44 A HA 0.422 4.770 4.320 0.048 0.000 0.258 44 A C -2.132 175.563 177.584 0.185 0.000 1.087 44 A CA -1.481 50.566 52.037 0.016 0.000 0.802 44 A CB -1.243 17.730 19.000 -0.044 0.000 1.042 44 A HN 0.416 nan 8.150 nan 0.000 0.489 45 P HA 0.029 nan 4.420 nan 0.000 0.259 45 P C -0.391 177.016 177.300 0.178 0.000 1.163 45 P CA 0.959 64.112 63.100 0.089 0.000 0.760 45 P CB -0.175 31.479 31.700 -0.077 0.000 0.762 46 F N 1.533 121.540 119.950 0.095 0.000 2.810 46 F HA 0.656 5.196 4.527 0.023 0.000 0.353 46 F C 0.764 176.610 175.800 0.076 0.000 1.227 46 F CA -0.136 57.904 58.000 0.068 0.000 1.210 46 F CB -0.012 39.022 39.000 0.058 0.000 1.039 46 F HN 0.566 nan 8.300 nan 0.000 0.509 47 G N 0.695 109.472 108.800 -0.037 0.000 2.587 47 G HA2 -0.232 3.757 3.960 0.048 0.000 0.212 47 G HA3 -0.232 3.757 3.960 0.048 0.000 0.212 47 G C 0.479 175.336 174.900 -0.072 0.000 1.327 47 G CA -0.236 44.862 45.100 -0.003 0.000 0.898 47 G HN 0.356 nan 8.290 nan 0.000 0.551 48 S N -0.291 115.401 115.700 -0.013 0.000 2.419 48 S HA 0.003 4.502 4.470 0.048 0.000 0.233 48 S C 2.497 177.078 174.600 -0.033 0.000 1.016 48 S CA 2.208 60.394 58.200 -0.024 0.000 0.974 48 S CB -0.766 62.436 63.200 0.003 0.000 0.786 48 S HN 1.902 nan 8.310 nan 0.000 0.492 49 G N 0.272 109.075 108.800 0.004 0.000 2.598 49 G HA2 -0.080 3.909 3.960 0.048 0.000 0.215 49 G HA3 -0.080 3.909 3.960 0.048 0.000 0.215 49 G C 0.334 175.210 174.900 -0.039 0.000 1.131 49 G CA 0.182 45.307 45.100 0.041 0.000 0.785 49 G HN 0.481 nan 8.290 nan 0.000 0.539 50 D N 0.171 120.383 120.400 -0.314 0.000 2.374 50 D HA 0.188 4.857 4.640 0.048 0.000 0.240 50 D C 1.246 177.378 176.300 -0.279 0.000 1.229 50 D CA -0.400 53.232 54.000 -0.614 0.000 0.895 50 D CB 1.140 41.084 40.800 -1.427 0.000 1.046 50 D HN -0.035 nan 8.370 nan 0.000 0.498 51 K N 2.896 123.202 120.400 -0.157 0.000 2.487 51 K HA 0.079 4.428 4.320 0.048 0.000 0.192 51 K C 1.345 177.837 176.600 -0.181 0.000 1.027 51 K CA 0.551 56.765 56.287 -0.122 0.000 1.054 51 K CB 0.100 32.565 32.500 -0.059 0.000 0.824 51 K HN 0.274 nan 8.250 nan 0.000 0.510 52 R N -1.277 119.059 120.500 -0.273 0.000 2.093 52 R HA 0.075 4.444 4.340 0.048 0.000 0.224 52 R C 0.150 176.014 176.300 -0.726 0.000 1.101 52 R CA 1.084 56.861 56.100 -0.538 0.000 0.979 52 R CB 0.035 29.917 30.300 -0.696 0.000 0.877 52 R HN 0.114 nan 8.270 nan 0.000 0.441 53 Y N -2.586 117.640 120.300 -0.122 0.000 2.705 53 Y HA 0.357 4.932 4.550 0.042 0.000 0.332 53 Y C 0.003 175.726 175.900 -0.295 0.000 1.157 53 Y CA -1.223 56.763 58.100 -0.191 0.000 1.091 53 Y CB 1.945 40.384 38.460 -0.035 0.000 1.301 53 Y HN -0.370 nan 8.280 nan 0.000 0.488 54 T N 1.537 115.871 114.554 -0.368 0.000 3.418 54 T HA 0.527 4.905 4.350 0.048 0.000 0.315 54 T C -1.734 172.626 174.700 -0.567 0.000 1.447 54 T CA -0.239 61.639 62.100 -0.370 0.000 1.641 54 T CB -0.884 67.820 68.868 -0.274 0.000 0.904 54 T HN 0.391 nan 8.240 nan 0.000 0.640 55 F N 1.185 121.122 119.950 -0.021 0.000 2.561 55 F HA 0.642 5.195 4.527 0.044 0.000 0.321 55 F C 0.741 176.512 175.800 -0.048 0.000 1.065 55 F CA -1.231 56.741 58.000 -0.047 0.000 0.934 55 F CB 1.971 40.926 39.000 -0.076 0.000 1.215 55 F HN 0.263 nan 8.300 nan 0.000 0.471 56 S N 1.321 117.120 115.700 0.166 0.000 2.465 56 S HA 0.131 4.629 4.470 0.048 0.000 0.279 56 S C 0.708 175.339 174.600 0.051 0.000 1.201 56 S CA -0.499 57.742 58.200 0.068 0.000 1.053 56 S CB 0.982 64.192 63.200 0.018 0.000 0.953 56 S HN 0.776 nan 8.310 nan 0.000 0.488 57 Q N 2.598 122.423 119.800 0.042 0.000 2.135 57 Q HA -0.120 4.248 4.340 0.048 0.000 0.204 57 Q C 2.164 178.161 176.000 -0.004 0.000 0.981 57 Q CA 1.969 57.785 55.803 0.022 0.000 0.856 57 Q CB -0.403 28.361 28.738 0.043 0.000 0.902 57 Q HN 0.952 nan 8.270 nan 0.000 0.425 58 T N -0.301 114.253 114.554 -0.000 0.000 2.821 58 T HA -0.157 4.222 4.350 0.048 0.000 0.267 58 T C 1.523 176.152 174.700 -0.119 0.000 1.046 58 T CA 1.314 63.401 62.100 -0.021 0.000 1.139 58 T CB 0.013 68.899 68.868 0.031 0.000 0.871 58 T HN 0.275 nan 8.240 nan 0.000 0.454 59 E N 0.156 120.281 120.200 -0.125 0.000 2.077 59 E HA -0.112 4.266 4.350 0.048 0.000 0.193 59 E C 2.381 178.905 176.600 -0.126 0.000 0.989 59 E CA 1.339 57.654 56.400 -0.143 0.000 0.800 59 E CB -0.166 29.478 29.700 -0.092 0.000 0.746 59 E HN 0.402 nan 8.360 nan 0.000 0.452 60 M N 0.718 120.252 119.600 -0.110 0.000 2.073 60 M HA -0.197 4.312 4.480 0.048 0.000 0.258 60 M C 2.336 178.568 176.300 -0.113 0.000 1.070 60 M CA 1.378 56.595 55.300 -0.137 0.000 1.103 60 M CB -1.239 31.271 32.600 -0.150 0.000 1.321 60 M HN 0.192 nan 8.290 nan 0.000 0.405 61 L N -0.305 120.864 121.223 -0.091 0.000 1.990 61 L HA -0.255 4.114 4.340 0.048 0.000 0.213 61 L C 2.365 179.170 176.870 -0.108 0.000 1.072 61 L CA 1.668 56.453 54.840 -0.090 0.000 0.755 61 L CB -0.362 41.669 42.059 -0.047 0.000 0.889 61 L HN 0.106 nan 8.230 nan 0.000 0.432 62 V N 0.441 120.278 119.914 -0.129 0.000 2.332 62 V HA -0.304 3.844 4.120 0.048 0.000 0.248 62 V C 2.288 178.302 176.094 -0.133 0.000 1.055 62 V CA 1.948 64.147 62.300 -0.168 0.000 1.038 62 V CB -0.841 30.830 31.823 -0.253 0.000 0.651 62 V HN 0.536 nan 8.190 nan 0.000 0.450 63 N N 1.091 119.723 118.700 -0.113 0.000 2.061 63 N HA -0.153 4.616 4.740 0.048 0.000 0.193 63 N C 1.937 177.426 175.510 -0.035 0.000 1.030 63 N CA 1.769 54.771 53.050 -0.081 0.000 0.856 63 N CB -0.969 37.460 38.487 -0.097 0.000 1.023 63 N HN 0.517 nan 8.380 nan 0.000 0.424 64 G N 0.906 109.690 108.800 -0.026 0.000 2.469 64 G HA2 -0.187 3.801 3.960 0.048 0.000 0.220 64 G HA3 -0.187 3.801 3.960 0.048 0.000 0.220 64 G C 1.549 176.543 174.900 0.157 0.000 1.136 64 G CA 0.521 45.654 45.100 0.055 0.000 0.759 64 G HN 0.287 nan 8.290 nan 0.000 0.562 65 L N -0.637 120.611 121.223 0.042 0.000 2.446 65 L HA 0.152 4.521 4.340 0.048 0.000 0.219 65 L C 2.732 179.670 176.870 0.113 0.000 1.116 65 L CA 0.341 55.218 54.840 0.062 0.000 0.844 65 L CB -0.050 41.804 42.059 -0.341 0.000 0.970 65 L HN 0.130 nan 8.230 nan 0.000 0.457 66 K N 0.370 120.790 120.400 0.033 0.000 2.103 66 K HA -0.154 4.194 4.320 0.048 0.000 0.207 66 K C -0.647 176.002 176.600 0.082 0.000 1.048 66 K CA 1.360 57.664 56.287 0.028 0.000 0.930 66 K CB -0.940 31.552 32.500 -0.014 0.000 0.716 66 K HN 0.260 nan 8.250 nan 0.000 0.444 67 P HA -0.130 nan 4.420 nan 0.000 0.226 67 P C 0.285 177.546 177.300 -0.064 0.000 1.153 67 P CA 1.064 64.141 63.100 -0.038 0.000 0.777 67 P CB 0.033 31.649 31.700 -0.141 0.000 0.794 68 Y N -1.837 118.568 120.300 0.175 0.000 2.529 68 Y HA 0.050 4.628 4.550 0.048 0.000 0.290 68 Y C 2.337 178.423 175.900 0.310 0.000 1.177 68 Y CA 0.829 59.081 58.100 0.254 0.000 1.305 68 Y CB -0.595 38.127 38.460 0.436 0.000 1.047 68 Y HN -0.058 nan 8.280 nan 0.000 0.522 69 T N -0.745 114.029 114.554 0.366 0.000 3.044 69 T HA 0.035 4.414 4.350 0.048 0.000 0.255 69 T C 0.452 175.248 174.700 0.161 0.000 1.073 69 T CA 0.312 62.606 62.100 0.324 0.000 1.125 69 T CB 0.061 69.078 68.868 0.248 0.000 0.908 69 T HN 0.064 nan 8.240 nan 0.000 0.480 70 E N 2.874 123.133 120.200 0.098 0.000 2.174 70 E HA 0.334 4.712 4.350 0.048 0.000 0.282 70 E C -2.636 173.973 176.600 0.015 0.000 0.992 70 E CA -2.571 53.853 56.400 0.040 0.000 0.803 70 E CB 1.189 30.894 29.700 0.008 0.000 1.090 70 E HN 0.267 nan 8.360 nan 0.000 0.396 71 P HA 0.058 nan 4.420 nan 0.000 0.272 71 P C -0.235 177.053 177.300 -0.020 0.000 1.223 71 P CA -0.011 63.086 63.100 -0.006 0.000 0.784 71 P CB 0.637 32.338 31.700 0.001 0.000 0.923 72 T N 1.029 115.566 114.554 -0.029 0.000 2.895 72 T HA 0.439 4.817 4.350 0.048 0.000 0.283 72 T C 1.363 176.062 174.700 -0.002 0.000 1.014 72 T CA -0.012 62.070 62.100 -0.030 0.000 1.037 72 T CB 0.838 69.671 68.868 -0.059 0.000 1.006 72 T HN 0.336 nan 8.240 nan 0.000 0.468 73 A N 3.266 126.094 122.820 0.013 0.000 1.881 73 A HA 0.273 4.621 4.320 0.048 0.000 0.219 73 A C 1.547 179.166 177.584 0.058 0.000 1.215 73 A CA 2.148 54.209 52.037 0.039 0.000 0.648 73 A CB -1.603 17.430 19.000 0.055 0.000 0.832 73 A HN 1.915 nan 8.150 nan 0.000 0.455 74 G N -3.140 105.718 108.800 0.097 0.000 2.568 74 G HA2 0.011 4.000 3.960 0.048 0.000 0.222 74 G HA3 0.011 4.000 3.960 0.048 0.000 0.222 74 G C -0.349 174.576 174.900 0.040 0.000 1.321 74 G CA -0.249 44.895 45.100 0.075 0.000 0.893 74 G HN 1.295 nan 8.290 nan 0.000 0.569 75 V N 2.771 122.605 119.914 -0.134 0.000 2.417 75 V HA 0.574 4.723 4.120 0.048 0.000 0.291 75 V C -1.582 174.453 176.094 -0.097 0.000 1.024 75 V CA -0.921 61.225 62.300 -0.256 0.000 0.861 75 V CB 1.638 33.177 31.823 -0.473 0.000 0.985 75 V HN 0.788 nan 8.190 nan 0.000 0.436 76 P HA 0.163 nan 4.420 nan 0.000 0.265 76 P C -2.347 174.932 177.300 -0.035 0.000 1.193 76 P CA -1.222 61.874 63.100 -0.007 0.000 0.765 76 P CB 0.345 32.061 31.700 0.028 0.000 0.823 77 P HA -0.120 nan 4.420 nan 0.000 0.222 77 P C 1.459 178.738 177.300 -0.036 0.000 1.147 77 P CA 1.464 64.538 63.100 -0.042 0.000 0.790 77 P CB 0.083 31.764 31.700 -0.032 0.000 0.780 78 Q N -1.167 118.620 119.800 -0.022 0.000 2.137 78 Q HA -0.008 4.361 4.340 0.048 0.000 0.198 78 Q C 2.123 178.113 176.000 -0.017 0.000 0.960 78 Q CA 0.682 56.476 55.803 -0.014 0.000 0.847 78 Q CB -0.580 28.156 28.738 -0.003 0.000 0.915 78 Q HN 0.261 nan 8.270 nan 0.000 0.448 79 L N 0.912 122.123 121.223 -0.021 0.000 2.017 79 L HA -0.198 4.171 4.340 0.048 0.000 0.208 79 L C 2.355 179.188 176.870 -0.062 0.000 1.073 79 L CA 1.029 55.850 54.840 -0.031 0.000 0.745 79 L CB -0.305 41.744 42.059 -0.017 0.000 0.894 79 L HN 0.353 nan 8.230 nan 0.000 0.432 80 L N -0.824 120.346 121.223 -0.089 0.000 1.990 80 L HA -0.319 4.050 4.340 0.048 0.000 0.213 80 L C 2.634 179.460 176.870 -0.073 0.000 1.072 80 L CA 2.009 56.779 54.840 -0.117 0.000 0.755 80 L CB -0.225 41.754 42.059 -0.133 0.000 0.889 80 L HN 0.267 nan 8.230 nan 0.000 0.432 81 S N -0.563 115.108 115.700 -0.048 0.000 2.374 81 S HA -0.275 4.223 4.470 0.048 0.000 0.227 81 S C 1.966 176.568 174.600 0.002 0.000 1.037 81 S CA 1.748 59.933 58.200 -0.025 0.000 1.024 81 S CB -0.411 62.778 63.200 -0.018 0.000 0.861 81 S HN 0.409 nan 8.310 nan 0.000 0.456 82 R N 0.913 121.418 120.500 0.008 0.000 2.081 82 R HA -0.060 4.309 4.340 0.048 0.000 0.235 82 R C 2.452 178.807 176.300 0.092 0.000 1.131 82 R CA 1.225 57.356 56.100 0.051 0.000 0.960 82 R CB -0.450 29.866 30.300 0.026 0.000 0.856 82 R HN 0.400 nan 8.270 nan 0.000 0.436 83 A N 0.233 123.058 122.820 0.009 0.000 1.877 83 A HA -0.131 4.218 4.320 0.048 0.000 0.216 83 A C 2.259 179.896 177.584 0.088 0.000 1.186 83 A CA 1.623 53.662 52.037 0.003 0.000 0.620 83 A CB -0.731 18.229 19.000 -0.066 0.000 0.822 83 A HN 0.224 nan 8.150 nan 0.000 0.443 84 V N -0.550 119.386 119.914 0.036 0.000 2.332 84 V HA -0.242 3.906 4.120 0.048 0.000 0.248 84 V C 2.843 178.983 176.094 0.077 0.000 1.055 84 V CA 2.588 64.907 62.300 0.032 0.000 1.038 84 V CB -0.924 30.889 31.823 -0.016 0.000 0.651 84 V HN 0.731 nan 8.190 nan 0.000 0.450 85 T N -1.531 113.074 114.554 0.085 0.000 2.788 85 T HA -0.239 4.140 4.350 0.048 0.000 0.268 85 T C 1.753 176.513 174.700 0.101 0.000 1.044 85 T CA 2.009 64.152 62.100 0.072 0.000 1.139 85 T CB -0.242 68.649 68.868 0.038 0.000 0.867 85 T HN 0.680 nan 8.240 nan 0.000 0.454 86 H N 0.115 119.243 119.070 0.096 0.000 2.321 86 H HA 0.013 4.598 4.556 0.048 0.000 0.300 86 H C 2.368 177.867 175.328 0.284 0.000 1.087 86 H CA 1.860 58.014 56.048 0.177 0.000 1.319 86 H CB -0.562 29.274 29.762 0.124 0.000 1.379 86 H HN 0.192 nan 8.280 nan 0.000 0.501 87 V N 0.529 120.662 119.914 0.365 0.000 2.255 87 V HA -0.297 3.851 4.120 0.048 0.000 0.247 87 V C 2.520 178.684 176.094 0.117 0.000 1.051 87 V CA 2.310 64.692 62.300 0.138 0.000 1.018 87 V CB -0.493 31.361 31.823 0.053 0.000 0.641 87 V HN 0.368 nan 8.190 nan 0.000 0.445 88 R N -0.147 120.430 120.500 0.127 0.000 2.066 88 R HA -0.162 4.206 4.340 0.048 0.000 0.232 88 R C 2.668 179.068 176.300 0.167 0.000 1.131 88 R CA 1.795 57.983 56.100 0.147 0.000 0.955 88 R CB -0.525 29.819 30.300 0.072 0.000 0.851 88 R HN 0.486 nan 8.270 nan 0.000 0.432 89 S N -0.361 115.414 115.700 0.126 0.000 2.365 89 S HA -0.250 4.249 4.470 0.048 0.000 0.225 89 S C 1.849 176.539 174.600 0.149 0.000 1.039 89 S CA 1.547 59.812 58.200 0.108 0.000 1.033 89 S CB -0.534 62.698 63.200 0.053 0.000 0.887 89 S HN 0.565 nan 8.310 nan 0.000 0.447 90 Y N 1.696 122.041 120.300 0.075 0.000 2.145 90 Y HA -0.036 4.542 4.550 0.047 0.000 0.286 90 Y C 2.011 177.920 175.900 0.015 0.000 1.145 90 Y CA 1.807 59.947 58.100 0.065 0.000 1.148 90 Y CB -0.446 38.078 38.460 0.108 0.000 0.981 90 Y HN 0.313 nan 8.280 nan 0.000 0.507 91 I N 0.054 120.662 120.570 0.064 0.000 2.264 91 I HA -0.317 3.881 4.170 0.048 0.000 0.248 91 I C 2.158 178.225 176.117 -0.084 0.000 1.111 91 I CA 1.736 62.988 61.300 -0.081 0.000 1.382 91 I CB -0.467 37.474 38.000 -0.099 0.000 1.060 91 I HN 0.294 nan 8.210 nan 0.000 0.418 92 E N 0.345 120.618 120.200 0.123 0.000 2.118 92 E HA -0.234 4.145 4.350 0.048 0.000 0.195 92 E C 2.178 178.788 176.600 0.017 0.000 0.992 92 E CA 1.998 58.506 56.400 0.180 0.000 0.804 92 E CB -0.196 29.613 29.700 0.182 0.000 0.741 92 E HN 0.631 nan 8.360 nan 0.000 0.458 93 T N -0.901 113.601 114.554 -0.086 0.000 2.995 93 T HA -0.027 4.352 4.350 0.048 0.000 0.269 93 T C 1.790 176.380 174.700 -0.182 0.000 1.091 93 T CA 0.449 62.468 62.100 -0.135 0.000 1.128 93 T CB 0.035 68.792 68.868 -0.185 0.000 0.891 93 T HN -0.020 nan 8.240 nan 0.000 0.492 94 I N 1.747 122.169 120.570 -0.247 0.000 2.512 94 I HA 0.249 4.448 4.170 0.048 0.000 0.247 94 I C 2.383 178.410 176.117 -0.150 0.000 1.094 94 I CA 0.896 62.065 61.300 -0.219 0.000 1.427 94 I CB -0.687 37.153 38.000 -0.267 0.000 1.149 94 I HN 0.437 nan 8.210 nan 0.000 0.438 95 I N -1.416 119.051 120.570 -0.172 0.000 4.018 95 I HA 0.523 4.722 4.170 0.048 0.000 0.337 95 I C 0.928 177.012 176.117 -0.056 0.000 1.327 95 I CA 0.045 61.254 61.300 -0.151 0.000 1.100 95 I CB 0.066 37.909 38.000 -0.261 0.000 1.025 95 I HN 0.224 nan 8.210 nan 0.000 0.396 96 G N 2.264 111.063 108.800 -0.002 0.000 2.796 96 G HA2 -0.295 3.693 3.960 0.048 0.000 0.226 96 G HA3 -0.295 3.693 3.960 0.048 0.000 0.226 96 G C 0.372 175.411 174.900 0.233 0.000 1.381 96 G CA 0.144 45.297 45.100 0.088 0.000 0.867 96 G HN 0.623 nan 8.290 nan 0.000 0.552 97 T N -3.064 111.613 114.554 0.204 0.000 3.092 97 T HA 0.270 4.649 4.350 0.048 0.000 0.258 97 T C 0.880 175.693 174.700 0.188 0.000 1.031 97 T CA 0.885 63.107 62.100 0.204 0.000 0.925 97 T CB -0.142 68.775 68.868 0.082 0.000 1.036 97 T HN 0.945 nan 8.240 nan 0.000 0.544 98 H N 1.880 121.019 119.070 0.114 0.000 3.092 98 H HA 0.085 4.669 4.556 0.047 0.000 0.332 98 H C -0.215 175.188 175.328 0.125 0.000 1.029 98 H CA 0.410 56.511 56.048 0.089 0.000 1.376 98 H CB 0.475 30.277 29.762 0.068 0.000 1.329 98 H HN 0.253 nan 8.280 nan 0.000 0.598 99 R N 3.103 123.325 120.500 -0.462 0.000 2.265 99 R HA 0.171 4.539 4.340 0.048 0.000 0.328 99 R C -0.383 175.634 176.300 -0.472 0.000 0.969 99 R CA -0.577 55.340 56.100 -0.306 0.000 0.832 99 R CB 1.241 31.420 30.300 -0.203 0.000 1.139 99 R HN 0.509 nan 8.270 nan 0.000 0.457 100 S N 4.786 120.398 115.700 -0.148 0.000 2.549 100 S HA 0.162 4.660 4.470 0.048 0.000 0.279 100 S C -2.175 172.409 174.600 -0.027 0.000 1.321 100 S CA -1.007 57.180 58.200 -0.023 0.000 1.054 100 S CB 0.807 64.058 63.200 0.085 0.000 0.899 100 S HN 0.380 nan 8.310 nan 0.000 0.497 101 P HA 0.108 nan 4.420 nan 0.000 0.268 101 P C -0.381 176.910 177.300 -0.015 0.000 1.204 101 P CA -0.372 62.733 63.100 0.009 0.000 0.768 101 P CB 0.344 32.072 31.700 0.048 0.000 0.842 102 V N 4.436 124.301 119.914 -0.082 0.000 2.814 102 V HA -0.126 4.022 4.120 0.048 0.000 0.307 102 V C 1.118 177.200 176.094 -0.020 0.000 1.089 102 V CA 0.547 62.765 62.300 -0.137 0.000 1.212 102 V CB -0.299 31.277 31.823 -0.412 0.000 0.912 102 V HN 0.350 nan 8.190 nan 0.000 0.497 103 L N 4.182 125.430 121.223 0.041 0.000 2.476 103 L HA 0.314 4.683 4.340 0.048 0.000 0.255 103 L C 0.980 177.967 176.870 0.194 0.000 1.218 103 L CA -0.215 54.687 54.840 0.104 0.000 0.819 103 L CB 0.519 42.639 42.059 0.100 0.000 1.119 103 L HN 0.853 nan 8.230 nan 0.000 0.485 104 T N -3.196 111.450 114.554 0.154 0.000 2.862 104 T HA 0.107 4.485 4.350 0.048 0.000 0.276 104 T C 0.811 175.475 174.700 -0.059 0.000 0.974 104 T CA -0.344 61.858 62.100 0.171 0.000 0.966 104 T CB 0.715 69.665 68.868 0.136 0.000 1.072 104 T HN 0.520 nan 8.240 nan 0.000 0.538 105 Y N 0.425 120.407 120.300 -0.531 0.000 2.097 105 Y HA -0.250 4.329 4.550 0.048 0.000 0.282 105 Y C 2.780 178.436 175.900 -0.408 0.000 1.152 105 Y CA 2.502 59.949 58.100 -1.089 0.000 1.136 105 Y CB -0.620 37.081 38.460 -1.264 0.000 0.975 105 Y HN 0.954 nan 8.280 nan 0.000 0.498 106 H N 0.146 119.081 119.070 -0.224 0.000 2.353 106 H HA -0.176 4.408 4.556 0.048 0.000 0.300 106 H C 1.955 177.225 175.328 -0.097 0.000 1.090 106 H CA 2.191 58.158 56.048 -0.135 0.000 1.327 106 H CB -0.119 29.649 29.762 0.010 0.000 1.383 106 H HN 0.533 nan 8.280 nan 0.000 0.508 107 Q N 0.230 119.979 119.800 -0.086 0.000 2.061 107 Q HA -0.130 4.239 4.340 0.048 0.000 0.204 107 Q C 2.622 178.543 176.000 -0.131 0.000 0.984 107 Q CA 1.779 57.526 55.803 -0.093 0.000 0.846 107 Q CB -0.137 28.616 28.738 0.024 0.000 0.902 107 Q HN 0.552 nan 8.270 nan 0.000 0.421 108 A N 0.087 122.824 122.820 -0.138 0.000 1.877 108 A HA -0.220 4.129 4.320 0.048 0.000 0.216 108 A C 2.348 179.828 177.584 -0.174 0.000 1.186 108 A CA 1.457 53.428 52.037 -0.110 0.000 0.620 108 A CB -1.113 17.851 19.000 -0.061 0.000 0.822 108 A HN 0.542 nan 8.150 nan 0.000 0.443 109 C N -0.836 118.282 119.300 -0.304 0.000 2.398 109 C HA -0.141 4.348 4.460 0.048 0.000 0.276 109 C C 2.621 177.569 174.990 -0.069 0.000 1.222 109 C CA 1.310 60.231 59.018 -0.160 0.000 1.746 109 C CB -1.419 26.211 27.740 -0.185 0.000 2.039 109 C HN 0.702 nan 8.230 nan 0.000 0.470 110 E N 0.060 120.142 120.200 -0.196 0.000 2.130 110 E HA -0.214 4.164 4.350 0.048 0.000 0.196 110 E C 1.747 178.203 176.600 -0.240 0.000 0.998 110 E CA 1.143 57.395 56.400 -0.245 0.000 0.806 110 E CB -0.135 29.426 29.700 -0.231 0.000 0.738 110 E HN 0.657 nan 8.360 nan 0.000 0.459 111 L N 0.710 121.839 121.223 -0.156 0.000 2.558 111 L HA 0.084 4.452 4.340 0.048 0.000 0.225 111 L C 0.647 177.445 176.870 -0.120 0.000 1.128 111 L CA -0.282 54.488 54.840 -0.117 0.000 0.868 111 L CB 0.009 42.036 42.059 -0.054 0.000 1.006 111 L HN 0.047 nan 8.230 nan 0.000 0.454 112 L N 0.541 121.694 121.223 -0.116 0.000 2.483 112 L HA 0.012 4.381 4.340 0.048 0.000 0.276 112 L C 0.543 177.346 176.870 -0.112 0.000 1.213 112 L CA -0.084 54.698 54.840 -0.098 0.000 0.843 112 L CB 0.235 42.247 42.059 -0.078 0.000 1.107 112 L HN -0.013 nan 8.230 nan 0.000 0.487 113 E N 1.500 121.647 120.200 -0.088 0.000 2.152 113 E HA 0.127 4.505 4.350 0.048 0.000 0.285 113 E C 0.423 176.992 176.600 -0.052 0.000 1.043 113 E CA 0.107 56.457 56.400 -0.083 0.000 0.839 113 E CB 0.879 30.542 29.700 -0.062 0.000 1.069 113 E HN 0.292 nan 8.360 nan 0.000 0.399 114 R N 1.506 121.957 120.500 -0.082 0.000 2.246 114 R HA 0.025 4.394 4.340 0.048 0.000 0.199 114 R C 1.382 177.683 176.300 0.001 0.000 0.984 114 R CA 1.216 57.294 56.100 -0.035 0.000 1.015 114 R CB 0.236 30.439 30.300 -0.162 0.000 0.930 114 R HN 0.538 nan 8.270 nan 0.000 0.475 115 T N -2.460 112.081 114.554 -0.021 0.000 3.118 115 T HA 0.010 4.388 4.350 0.048 0.000 0.260 115 T C 0.931 175.636 174.700 0.009 0.000 1.139 115 T CA 0.429 62.525 62.100 -0.006 0.000 1.085 115 T CB 0.241 69.098 68.868 -0.019 0.000 0.934 115 T HN -0.034 nan 8.240 nan 0.000 0.518 116 T N 1.663 116.225 114.554 0.013 0.000 2.940 116 T HA 0.562 4.940 4.350 0.048 0.000 0.288 116 T C 0.016 174.736 174.700 0.034 0.000 1.045 116 T CA -0.525 61.587 62.100 0.019 0.000 1.018 116 T CB 1.676 70.551 68.868 0.011 0.000 1.151 116 T HN 0.388 nan 8.240 nan 0.000 0.529 117 S N 0.126 115.844 115.700 0.029 0.000 2.624 117 S HA 0.177 4.676 4.470 0.048 0.000 0.263 117 S C 1.233 175.841 174.600 0.013 0.000 1.287 117 S CA -0.539 57.680 58.200 0.032 0.000 0.990 117 S CB 0.096 63.307 63.200 0.018 0.000 0.950 117 S HN 0.808 nan 8.310 nan 0.000 0.561 118 C N 1.447 120.751 119.300 0.007 0.000 2.626 118 C HA 0.590 5.079 4.460 0.048 0.000 0.266 118 C C 1.681 176.623 174.990 -0.079 0.000 1.317 118 C CA 0.044 59.042 59.018 -0.034 0.000 1.716 118 C CB -1.997 25.712 27.740 -0.052 0.000 1.819 118 C HN 1.345 nan 8.230 nan 0.000 0.578 119 G N 1.905 110.644 108.800 -0.101 0.000 2.587 119 G HA2 -0.148 3.841 3.960 0.048 0.000 0.212 119 G HA3 -0.148 3.841 3.960 0.048 0.000 0.212 119 G C -2.076 172.633 174.900 -0.318 0.000 1.327 119 G CA 0.053 45.035 45.100 -0.197 0.000 0.898 119 G HN 0.047 nan 8.290 nan 0.000 0.551 120 P HA 0.222 nan 4.420 nan 0.000 0.240 120 P C 1.164 178.083 177.300 -0.635 0.000 1.190 120 P CA 1.060 63.724 63.100 -0.726 0.000 0.781 120 P CB -0.073 30.919 31.700 -1.180 0.000 0.931 121 F N -1.159 118.634 119.950 -0.262 0.000 2.720 121 F HA 0.186 4.742 4.527 0.049 0.000 0.301 121 F C 0.849 176.443 175.800 -0.343 0.000 1.103 121 F CA -0.271 57.556 58.000 -0.288 0.000 1.291 121 F CB 0.568 39.397 39.000 -0.286 0.000 1.086 121 F HN -0.382 nan 8.300 nan 0.000 0.592 122 V N 1.072 120.861 119.914 -0.208 0.000 2.656 122 V HA 0.281 4.430 4.120 0.048 0.000 0.307 122 V C -0.516 175.540 176.094 -0.064 0.000 1.051 122 V CA -1.006 61.179 62.300 -0.191 0.000 0.893 122 V CB 1.946 33.565 31.823 -0.339 0.000 0.999 122 V HN -0.020 nan 8.190 nan 0.000 0.426 123 Q N 1.922 121.738 119.800 0.026 0.000 2.243 123 Q HA 0.642 5.010 4.340 0.048 0.000 0.252 123 Q C 0.486 176.581 176.000 0.158 0.000 0.909 123 Q CA 0.629 56.473 55.803 0.068 0.000 0.922 123 Q CB 1.918 30.691 28.738 0.058 0.000 1.215 123 Q HN 1.180 nan 8.270 nan 0.000 0.427 124 G N 1.095 109.959 108.800 0.107 0.000 2.549 124 G HA2 -0.173 3.816 3.960 0.048 0.000 0.404 124 G HA3 -0.173 3.816 3.960 0.048 0.000 0.404 124 G C -1.085 173.894 174.900 0.131 0.000 1.292 124 G CA -0.999 44.167 45.100 0.111 0.000 0.935 124 G HN 0.489 nan 8.290 nan 0.000 0.512 125 L N 0.557 121.849 121.223 0.115 0.000 2.357 125 L HA 0.395 4.764 4.340 0.048 0.000 0.273 125 L C 1.926 178.938 176.870 0.238 0.000 1.080 125 L CA -0.886 54.029 54.840 0.124 0.000 0.803 125 L CB 1.362 43.464 42.059 0.071 0.000 1.174 125 L HN 0.761 nan 8.230 nan 0.000 0.443 126 K N 2.102 122.638 120.400 0.226 0.000 2.160 126 K HA -0.160 4.188 4.320 0.048 0.000 0.206 126 K C 1.852 178.754 176.600 0.503 0.000 1.047 126 K CA 1.513 58.005 56.287 0.342 0.000 0.930 126 K CB -0.250 32.357 32.500 0.179 0.000 0.720 126 K HN 0.973 nan 8.250 nan 0.000 0.450 127 G N 1.884 110.849 108.800 0.275 0.000 2.432 127 G HA2 -0.263 3.726 3.960 0.048 0.000 0.219 127 G HA3 -0.263 3.726 3.960 0.048 0.000 0.219 127 G C 0.886 175.904 174.900 0.197 0.000 1.135 127 G CA 0.902 46.130 45.100 0.213 0.000 0.767 127 G HN 0.204 nan 8.290 nan 0.000 0.550 128 D N -0.266 120.176 120.400 0.070 0.000 2.239 128 D HA -0.116 4.552 4.640 0.048 0.000 0.202 128 D C 1.224 177.391 176.300 -0.222 0.000 0.993 128 D CA 0.947 54.827 54.000 -0.200 0.000 0.874 128 D CB -0.174 40.298 40.800 -0.546 0.000 0.922 128 D HN 0.594 nan 8.370 nan 0.000 0.464 129 Y N -2.170 118.278 120.300 0.245 0.000 2.531 129 Y HA 0.155 4.733 4.550 0.047 0.000 0.249 129 Y C 0.485 176.564 175.900 0.297 0.000 1.168 129 Y CA -0.805 57.464 58.100 0.281 0.000 1.226 129 Y CB 0.164 38.839 38.460 0.360 0.000 1.177 129 Y HN -0.026 nan 8.280 nan 0.000 0.527 130 W N 3.526 124.879 121.300 0.088 0.000 2.342 130 W HA 0.184 4.872 4.660 0.047 0.000 0.310 130 W C -0.590 175.862 176.519 -0.112 0.000 1.128 130 W CA -0.418 56.809 57.345 -0.196 0.000 1.322 130 W CB 0.662 29.953 29.460 -0.281 0.000 1.251 130 W HN -0.028 nan 8.180 nan 0.000 0.439 131 D N 5.145 125.186 120.400 -0.598 0.000 2.383 131 D HA -0.048 4.620 4.640 0.048 0.000 0.245 131 D C -0.282 175.526 176.300 -0.819 0.000 1.263 131 D CA 0.349 54.027 54.000 -0.537 0.000 0.936 131 D CB 0.384 40.958 40.800 -0.376 0.000 1.053 131 D HN 0.373 nan 8.370 nan 0.000 0.507 132 E N 2.576 122.477 120.200 -0.499 0.000 2.415 132 E HA -0.032 4.346 4.350 0.048 0.000 0.260 132 E C 0.512 176.995 176.600 -0.195 0.000 1.016 132 E CA 0.312 56.550 56.400 -0.270 0.000 0.924 132 E CB 0.365 30.083 29.700 0.030 0.000 0.961 132 E HN 0.430 nan 8.360 nan 0.000 0.459 133 E N 2.040 122.145 120.200 -0.159 0.000 4.028 133 E HA -0.311 4.068 4.350 0.048 0.000 0.343 133 E C 0.638 177.161 176.600 -0.128 0.000 0.700 133 E CA 1.514 57.859 56.400 -0.092 0.000 1.288 133 E CB -1.156 28.519 29.700 -0.042 0.000 1.677 133 E HN 0.683 nan 8.360 nan 0.000 0.424 134 Q N 0.142 119.813 119.800 -0.214 0.000 2.424 134 Q HA -0.011 4.358 4.340 0.048 0.000 0.204 134 Q C -0.239 175.605 176.000 -0.261 0.000 0.933 134 Q CA 0.698 56.380 55.803 -0.203 0.000 0.929 134 Q CB 0.371 28.986 28.738 -0.205 0.000 1.037 134 Q HN 0.300 nan 8.270 nan 0.000 0.511 135 Q N 1.180 120.738 119.800 -0.403 0.000 2.423 135 Q HA -0.232 4.137 4.340 0.048 0.000 0.332 135 Q C -0.784 174.832 176.000 -0.640 0.000 1.355 135 Q CA 1.576 57.093 55.803 -0.477 0.000 0.947 135 Q CB -1.705 27.063 28.738 0.050 0.000 1.189 135 Q HN 0.743 nan 8.270 nan 0.000 0.418 136 Q N -2.291 116.850 119.800 -1.097 0.000 2.534 136 Q HA 0.585 4.954 4.340 0.048 0.000 0.290 136 Q C -1.363 174.263 176.000 -0.622 0.000 0.991 136 Q CA -1.010 54.431 55.803 -0.604 0.000 0.783 136 Q CB 0.997 29.655 28.738 -0.134 0.000 1.470 136 Q HN 0.067 nan 8.270 nan 0.000 0.406 137 Y N 0.620 120.952 120.300 0.053 0.000 2.319 137 Y HA 0.485 5.063 4.550 0.047 0.000 0.328 137 Y C 0.589 176.551 175.900 0.105 0.000 1.133 137 Y CA 0.512 58.722 58.100 0.183 0.000 1.265 137 Y CB 1.973 40.582 38.460 0.247 0.000 1.218 137 Y HN 0.734 nan 8.280 nan 0.000 0.508 138 T N 1.002 115.729 114.554 0.287 0.000 2.907 138 T HA 0.661 5.040 4.350 0.048 0.000 0.290 138 T C 0.272 175.133 174.700 0.268 0.000 1.066 138 T CA 0.263 62.479 62.100 0.193 0.000 1.012 138 T CB 0.948 69.871 68.868 0.091 0.000 1.184 138 T HN 1.116 nan 8.240 nan 0.000 0.522 139 G N 0.713 109.633 108.800 0.200 0.000 2.509 139 G HA2 -0.254 3.735 3.960 0.048 0.000 0.259 139 G HA3 -0.254 3.735 3.960 0.048 0.000 0.259 139 G C 1.067 176.054 174.900 0.146 0.000 1.169 139 G CA 0.930 46.168 45.100 0.230 0.000 0.953 139 G HN 1.759 nan 8.290 nan 0.000 0.563 140 V N -1.607 118.383 119.914 0.127 0.000 2.649 140 V HA 0.358 4.506 4.120 0.048 0.000 0.248 140 V C 2.706 178.682 176.094 -0.197 0.000 1.054 140 V CA 2.327 64.614 62.300 -0.021 0.000 1.073 140 V CB -0.324 31.520 31.823 0.035 0.000 0.699 140 V HN 1.215 nan 8.190 nan 0.000 0.463 141 L N 1.806 122.694 121.223 -0.559 0.000 2.017 141 L HA 0.094 4.463 4.340 0.048 0.000 0.208 141 L C 2.726 179.538 176.870 -0.097 0.000 1.073 141 L CA 2.378 56.951 54.840 -0.445 0.000 0.745 141 L CB -1.132 40.474 42.059 -0.755 0.000 0.894 141 L HN 0.340 nan 8.230 nan 0.000 0.432 142 A N -0.551 122.287 122.820 0.031 0.000 1.908 142 A HA -0.306 4.042 4.320 0.048 0.000 0.218 142 A C 2.290 179.941 177.584 0.113 0.000 1.181 142 A CA 2.092 54.218 52.037 0.148 0.000 0.627 142 A CB -1.059 18.059 19.000 0.195 0.000 0.818 142 A HN 0.689 nan 8.150 nan 0.000 0.445 143 N N -1.268 117.479 118.700 0.077 0.000 2.120 143 N HA -0.255 4.514 4.740 0.048 0.000 0.188 143 N C 1.819 177.383 175.510 0.090 0.000 1.024 143 N CA 1.844 54.936 53.050 0.069 0.000 0.852 143 N CB -0.314 38.206 38.487 0.055 0.000 1.003 143 N HN 0.681 nan 8.380 nan 0.000 0.424 144 H N 1.027 120.082 119.070 -0.025 0.000 2.293 144 H HA 0.000 4.585 4.556 0.048 0.000 0.300 144 H C 2.251 177.590 175.328 0.018 0.000 1.082 144 H CA 1.771 57.803 56.048 -0.027 0.000 1.308 144 H CB -0.424 29.294 29.762 -0.074 0.000 1.375 144 H HN 0.168 nan 8.280 nan 0.000 0.495 145 L N -0.071 121.136 121.223 -0.027 0.000 2.056 145 L HA -0.111 4.257 4.340 0.048 0.000 0.207 145 L C 2.623 179.610 176.870 0.195 0.000 1.078 145 L CA 1.254 56.110 54.840 0.027 0.000 0.749 145 L CB -0.434 41.658 42.059 0.054 0.000 0.901 145 L HN 0.293 nan 8.230 nan 0.000 0.433 146 E N 0.180 120.476 120.200 0.159 0.000 2.058 146 E HA -0.227 4.151 4.350 0.048 0.000 0.194 146 E C 2.292 178.938 176.600 0.077 0.000 0.997 146 E CA 1.215 57.647 56.400 0.053 0.000 0.801 146 E CB -0.162 29.520 29.700 -0.030 0.000 0.746 146 E HN 0.489 nan 8.360 nan 0.000 0.450 147 Q N 0.033 119.860 119.800 0.044 0.000 2.084 147 Q HA -0.069 4.300 4.340 0.048 0.000 0.202 147 Q C 2.147 178.157 176.000 0.016 0.000 0.978 147 Q CA 1.309 57.124 55.803 0.020 0.000 0.844 147 Q CB -0.613 28.127 28.738 0.004 0.000 0.898 147 Q HN 0.247 nan 8.270 nan 0.000 0.426 148 A N 1.189 124.005 122.820 -0.006 0.000 1.858 148 A HA -0.192 4.156 4.320 0.048 0.000 0.216 148 A C 1.904 179.543 177.584 0.091 0.000 1.190 148 A CA 1.297 53.328 52.037 -0.009 0.000 0.617 148 A CB -1.324 17.623 19.000 -0.089 0.000 0.827 148 A HN 0.614 nan 8.150 nan 0.000 0.443 149 W N 0.838 122.141 121.300 0.005 0.000 2.304 149 W HA -0.288 4.400 4.660 0.047 0.000 0.315 149 W C 1.711 178.231 176.519 0.002 0.000 1.233 149 W CA 2.489 59.862 57.345 0.047 0.000 1.261 149 W CB -0.430 29.101 29.460 0.117 0.000 1.150 149 W HN 0.603 nan 8.180 nan 0.000 0.494 150 D N -0.184 120.302 120.400 0.143 0.000 2.117 150 D HA -0.187 4.481 4.640 0.048 0.000 0.198 150 D C 2.135 178.404 176.300 -0.051 0.000 0.982 150 D CA 1.729 55.747 54.000 0.030 0.000 0.828 150 D CB -0.170 40.660 40.800 0.050 0.000 0.967 150 D HN 0.001 nan 8.370 nan 0.000 0.464 151 K N -0.337 120.036 120.400 -0.044 0.000 2.211 151 K HA -0.029 4.319 4.320 0.048 0.000 0.203 151 K C 2.002 178.544 176.600 -0.097 0.000 1.050 151 K CA 0.930 57.180 56.287 -0.061 0.000 0.945 151 K CB -0.002 32.469 32.500 -0.049 0.000 0.732 151 K HN 0.171 nan 8.250 nan 0.000 0.451 152 A N 1.362 124.095 122.820 -0.145 0.000 1.970 152 A HA -0.062 4.286 4.320 0.048 0.000 0.216 152 A C 1.671 179.128 177.584 -0.212 0.000 1.170 152 A CA 0.899 52.827 52.037 -0.181 0.000 0.645 152 A CB -0.197 18.668 19.000 -0.226 0.000 0.816 152 A HN 0.210 nan 8.150 nan 0.000 0.447 153 N N -0.289 118.248 118.700 -0.272 0.000 2.520 153 N HA -0.072 4.697 4.740 0.048 0.000 0.185 153 N C 0.740 176.167 175.510 -0.139 0.000 1.068 153 N CA 0.846 53.770 53.050 -0.210 0.000 0.911 153 N CB 0.026 38.377 38.487 -0.226 0.000 0.961 153 N HN 0.300 nan 8.380 nan 0.000 0.446 154 K N -0.174 120.157 120.400 -0.116 0.000 2.417 154 K HA 0.178 4.527 4.320 0.048 0.000 0.196 154 K C 0.708 177.258 176.600 -0.083 0.000 1.023 154 K CA 0.040 56.275 56.287 -0.087 0.000 1.122 154 K CB 0.106 32.566 32.500 -0.066 0.000 0.850 154 K HN 0.135 nan 8.250 nan 0.000 0.521 155 G N 1.201 109.944 108.800 -0.095 0.000 2.182 155 G HA2 -0.258 3.731 3.960 0.048 0.000 0.248 155 G HA3 -0.258 3.731 3.960 0.048 0.000 0.248 155 G C -0.182 174.681 174.900 -0.062 0.000 1.042 155 G CA -0.112 44.940 45.100 -0.079 0.000 0.775 155 G HN 0.271 nan 8.290 nan 0.000 0.501 156 I N 1.255 121.786 120.570 -0.065 0.000 2.359 156 I HA 0.584 4.783 4.170 0.048 0.000 0.284 156 I C 0.877 176.964 176.117 -0.049 0.000 1.018 156 I CA -0.527 60.742 61.300 -0.050 0.000 1.173 156 I CB 1.527 39.499 38.000 -0.047 0.000 1.326 156 I HN 0.329 nan 8.210 nan 0.000 0.462 157 A N 8.885 131.684 122.820 -0.035 0.000 2.445 157 A HA 0.527 4.875 4.320 0.048 0.000 0.242 157 A C -2.137 175.436 177.584 -0.019 0.000 1.075 157 A CA -0.745 51.278 52.037 -0.025 0.000 0.777 157 A CB -0.419 18.576 19.000 -0.007 0.000 1.013 157 A HN 0.475 nan 8.150 nan 0.000 0.493 158 P HA 0.340 nan 4.420 nan 0.000 0.279 158 P C -0.714 176.599 177.300 0.023 0.000 1.276 158 P CA -0.602 62.494 63.100 -0.006 0.000 0.801 158 P CB 0.569 32.263 31.700 -0.011 0.000 1.127 159 R N 0.605 121.134 120.500 0.047 0.000 2.340 159 R HA 0.195 4.564 4.340 0.048 0.000 0.300 159 R C 0.468 176.818 176.300 0.083 0.000 1.069 159 R CA -0.318 55.838 56.100 0.094 0.000 0.984 159 R CB -0.216 30.183 30.300 0.163 0.000 1.003 159 R HN 0.353 nan 8.270 nan 0.000 0.459 160 N N 1.886 120.638 118.700 0.087 0.000 2.895 160 N HA 0.143 4.911 4.740 0.048 0.000 0.277 160 N C -1.563 173.985 175.510 0.063 0.000 1.185 160 N CA 0.010 53.098 53.050 0.062 0.000 1.106 160 N CB 0.475 39.048 38.487 0.144 0.000 1.422 160 N HN 0.610 nan 8.380 nan 0.000 0.521 161 A N 2.440 125.158 122.820 -0.170 0.000 2.371 161 A HA 0.677 5.025 4.320 0.048 0.000 0.311 161 A C -1.551 175.733 177.584 -0.500 0.000 1.068 161 A CA -0.516 51.480 52.037 -0.068 0.000 0.744 161 A CB 0.847 19.931 19.000 0.139 0.000 1.239 161 A HN 0.447 nan 8.150 nan 0.000 0.435 162 Y N 0.534 120.905 120.300 0.119 0.000 2.421 162 Y HA 0.450 5.028 4.550 0.047 0.000 0.339 162 Y C 0.172 176.092 175.900 0.034 0.000 0.996 162 Y CA -0.664 57.507 58.100 0.118 0.000 1.046 162 Y CB 2.316 41.021 38.460 0.408 0.000 1.226 162 Y HN 0.695 nan 8.280 nan 0.000 0.445 163 K N 4.042 124.473 120.400 0.052 0.000 2.310 163 K HA 0.359 4.708 4.320 0.048 0.000 0.290 163 K C -0.895 175.716 176.600 0.020 0.000 1.077 163 K CA -0.135 56.150 56.287 -0.003 0.000 0.922 163 K CB 0.261 32.718 32.500 -0.072 0.000 1.057 163 K HN 0.695 nan 8.250 nan 0.000 0.479 164 L N 3.756 124.954 121.223 -0.041 0.000 2.397 164 L HA 0.422 4.790 4.340 0.048 0.000 0.271 164 L C 0.164 176.953 176.870 -0.136 0.000 1.148 164 L CA -0.044 54.673 54.840 -0.206 0.000 0.825 164 L CB 1.216 43.102 42.059 -0.287 0.000 1.117 164 L HN 0.899 nan 8.230 nan 0.000 0.456 165 A N 3.940 126.659 122.820 -0.168 0.000 2.493 165 A HA 0.821 5.169 4.320 0.048 0.000 0.300 165 A C -1.732 175.795 177.584 -0.095 0.000 1.152 165 A CA -0.609 51.377 52.037 -0.086 0.000 0.643 165 A CB 1.192 20.171 19.000 -0.035 0.000 1.316 165 A HN 0.508 nan 8.150 nan 0.000 0.469 166 L N 0.225 121.424 121.223 -0.040 0.000 2.388 166 L HA 0.501 4.870 4.340 0.048 0.000 0.264 166 L C -0.343 176.531 176.870 0.006 0.000 0.998 166 L CA -0.776 54.047 54.840 -0.027 0.000 0.817 166 L CB 2.264 44.310 42.059 -0.021 0.000 1.338 166 L HN 0.683 nan 8.230 nan 0.000 0.414 167 K N 0.977 121.386 120.400 0.014 0.000 2.322 167 K HA 0.146 4.494 4.320 0.048 0.000 0.283 167 K C -0.810 175.811 176.600 0.034 0.000 1.042 167 K CA -0.407 55.899 56.287 0.031 0.000 0.958 167 K CB 0.760 33.283 32.500 0.039 0.000 0.984 167 K HN 0.390 nan 8.250 nan 0.000 0.473 168 D N 4.310 124.741 120.400 0.053 0.000 2.411 168 D HA 0.038 4.706 4.640 0.048 0.000 0.225 168 D C -0.775 175.599 176.300 0.123 0.000 1.156 168 D CA -0.194 53.851 54.000 0.075 0.000 0.874 168 D CB 0.312 41.154 40.800 0.071 0.000 1.034 168 D HN 0.559 nan 8.370 nan 0.000 0.502 169 E N 2.348 122.560 120.200 0.019 0.000 2.423 169 E HA 0.307 4.686 4.350 0.048 0.000 0.280 169 E C -1.005 175.384 176.600 -0.351 0.000 1.030 169 E CA -1.000 55.344 56.400 -0.095 0.000 0.812 169 E CB 0.561 30.246 29.700 -0.026 0.000 1.313 169 E HN 0.202 nan 8.360 nan 0.000 0.456 170 L N 1.679 122.569 121.223 -0.555 0.000 2.367 170 L HA 0.426 4.795 4.340 0.048 0.000 0.275 170 L C 0.467 177.237 176.870 -0.167 0.000 1.129 170 L CA -0.377 54.160 54.840 -0.505 0.000 0.839 170 L CB 0.116 41.807 42.059 -0.614 0.000 1.133 170 L HN 0.368 nan 8.230 nan 0.000 0.453 171 R N 2.731 123.090 120.500 -0.235 0.000 2.912 171 R HA 0.530 4.899 4.340 0.048 0.000 0.262 171 R C -2.657 173.206 176.300 -0.729 0.000 1.057 171 R CA -2.475 53.429 56.100 -0.326 0.000 0.981 171 R CB 1.050 31.217 30.300 -0.221 0.000 1.201 171 R HN 0.179 nan 8.270 nan 0.000 0.484 172 P HA 0.166 nan 4.420 nan 0.000 0.267 172 P C 0.856 177.974 177.300 -0.304 0.000 1.209 172 P CA 0.118 62.805 63.100 -0.688 0.000 0.763 172 P CB 0.299 31.755 31.700 -0.406 0.000 0.816 173 I N 2.135 122.602 120.570 -0.173 0.000 2.290 173 I HA -0.357 3.841 4.170 0.048 0.000 0.253 173 I C 1.657 177.758 176.117 -0.027 0.000 1.112 173 I CA 1.788 63.068 61.300 -0.032 0.000 1.377 173 I CB -0.391 37.636 38.000 0.044 0.000 1.060 173 I HN 0.422 nan 8.210 nan 0.000 0.428 174 E N 0.706 120.870 120.200 -0.059 0.000 2.106 174 E HA -0.171 4.208 4.350 0.048 0.000 0.192 174 E C 2.070 178.615 176.600 -0.092 0.000 0.984 174 E CA 1.032 57.401 56.400 -0.051 0.000 0.806 174 E CB -0.143 29.531 29.700 -0.045 0.000 0.750 174 E HN 0.437 nan 8.360 nan 0.000 0.458 175 K N 0.334 120.653 120.400 -0.135 0.000 2.116 175 K HA 0.024 4.372 4.320 0.048 0.000 0.203 175 K C 1.733 178.194 176.600 -0.232 0.000 1.052 175 K CA 0.798 56.984 56.287 -0.167 0.000 0.952 175 K CB -0.079 32.323 32.500 -0.163 0.000 0.729 175 K HN 0.032 nan 8.250 nan 0.000 0.446 176 N N 1.776 120.338 118.700 -0.230 0.000 2.036 176 N HA -0.176 4.592 4.740 0.048 0.000 0.195 176 N C 1.502 176.668 175.510 -0.574 0.000 1.037 176 N CA 1.323 54.170 53.050 -0.338 0.000 0.855 176 N CB -0.198 38.200 38.487 -0.148 0.000 1.033 176 N HN 0.171 nan 8.380 nan 0.000 0.423 177 K N 0.477 120.702 120.400 -0.291 0.000 2.152 177 K HA -0.019 4.329 4.320 0.048 0.000 0.206 177 K C 1.562 178.119 176.600 -0.073 0.000 1.048 177 K CA 1.177 57.400 56.287 -0.107 0.000 0.933 177 K CB -0.111 32.432 32.500 0.071 0.000 0.721 177 K HN 0.185 nan 8.250 nan 0.000 0.447 178 A N 0.265 122.971 122.820 -0.190 0.000 2.238 178 A HA 0.180 4.528 4.320 0.048 0.000 0.208 178 A C 1.228 178.513 177.584 -0.498 0.000 1.177 178 A CA 0.764 52.681 52.037 -0.201 0.000 0.804 178 A CB -0.212 18.693 19.000 -0.159 0.000 0.823 178 A HN 0.400 nan 8.150 nan 0.000 0.482 179 G N -0.196 108.051 108.800 -0.923 0.000 2.176 179 G HA2 -0.272 3.717 3.960 0.048 0.000 0.252 179 G HA3 -0.272 3.717 3.960 0.048 0.000 0.252 179 G C 0.068 174.486 174.900 -0.804 0.000 1.024 179 G CA 0.588 44.682 45.100 -1.677 0.000 0.755 179 G HN 0.600 nan 8.290 nan 0.000 0.507 180 K N -0.408 119.694 120.400 -0.498 0.000 2.218 180 K HA 0.666 5.015 4.320 0.048 0.000 0.276 180 K C 0.545 177.001 176.600 -0.240 0.000 1.022 180 K CA -0.374 55.731 56.287 -0.303 0.000 0.946 180 K CB 1.063 33.436 32.500 -0.213 0.000 1.000 180 K HN 0.306 nan 8.250 nan 0.000 0.468 181 R N 1.488 121.889 120.500 -0.164 0.000 2.668 181 R HA 0.264 4.633 4.340 0.048 0.000 0.272 181 R C -1.131 175.134 176.300 -0.058 0.000 1.019 181 R CA -0.825 55.214 56.100 -0.102 0.000 0.894 181 R CB 1.567 31.819 30.300 -0.080 0.000 1.228 181 R HN 0.532 nan 8.270 nan 0.000 0.460 182 R N 2.445 122.929 120.500 -0.027 0.000 2.390 182 R HA 0.275 4.644 4.340 0.048 0.000 0.291 182 R C -0.209 176.101 176.300 0.017 0.000 1.070 182 R CA -0.354 55.756 56.100 0.015 0.000 1.014 182 R CB 0.590 30.912 30.300 0.037 0.000 1.007 182 R HN 0.402 nan 8.270 nan 0.000 0.466 183 L N 3.267 124.513 121.223 0.039 0.000 2.483 183 L HA 0.100 4.469 4.340 0.048 0.000 0.276 183 L C -0.224 176.668 176.870 0.037 0.000 1.213 183 L CA 0.021 54.847 54.840 -0.024 0.000 0.843 183 L CB 0.135 42.181 42.059 -0.022 0.000 1.107 183 L HN 0.380 nan 8.230 nan 0.000 0.487 184 L N 2.603 123.788 121.223 -0.064 0.000 2.372 184 L HA 0.440 4.809 4.340 0.048 0.000 0.274 184 L C -1.689 175.183 176.870 0.004 0.000 0.988 184 L CA -0.010 54.857 54.840 0.046 0.000 0.833 184 L CB 1.238 43.315 42.059 0.030 0.000 1.236 184 L HN 0.348 nan 8.230 nan 0.000 0.410 185 W N 4.575 125.873 121.300 -0.004 0.000 2.282 185 W HA 0.646 5.338 4.660 0.053 0.000 0.322 185 W C 0.777 177.398 176.519 0.169 0.000 1.011 185 W CA -0.916 56.438 57.345 0.014 0.000 1.392 185 W CB 1.698 31.010 29.460 -0.247 0.000 1.215 185 W HN 0.769 nan 8.180 nan 0.000 0.394 186 G N 2.554 111.552 108.800 0.329 0.000 2.448 186 G HA2 0.250 4.239 3.960 0.048 0.000 0.309 186 G HA3 0.250 4.239 3.960 0.048 0.000 0.309 186 G C -0.183 174.833 174.900 0.194 0.000 1.027 186 G CA -0.403 44.826 45.100 0.215 0.000 1.104 186 G HN 0.619 nan 8.290 nan 0.000 0.428 187 C N 3.348 122.762 119.300 0.190 0.000 2.662 187 C HA 0.138 4.626 4.460 0.048 0.000 0.420 187 C C 0.929 175.810 174.990 -0.181 0.000 1.314 187 C CA -0.501 58.435 59.018 -0.136 0.000 1.963 187 C CB 0.004 27.726 27.740 -0.030 0.000 2.686 187 C HN 0.779 nan 8.230 nan 0.000 0.609 188 D N 2.988 123.212 120.400 -0.292 0.000 2.581 188 D HA 0.109 4.778 4.640 0.048 0.000 0.238 188 D C 0.912 177.186 176.300 -0.043 0.000 1.145 188 D CA 0.957 54.880 54.000 -0.127 0.000 0.866 188 D CB 0.940 41.719 40.800 -0.036 0.000 1.151 188 D HN 0.695 nan 8.370 nan 0.000 0.500 189 A N 4.594 127.421 122.820 0.013 0.000 1.933 189 A HA -0.082 4.267 4.320 0.048 0.000 0.218 189 A C 2.211 179.770 177.584 -0.042 0.000 1.175 189 A CA 2.023 54.044 52.037 -0.026 0.000 0.628 189 A CB -0.826 18.148 19.000 -0.043 0.000 0.814 189 A HN 0.714 nan 8.150 nan 0.000 0.444 190 A N -0.829 121.961 122.820 -0.050 0.000 1.903 190 A HA -0.186 4.162 4.320 0.048 0.000 0.219 190 A C 2.325 179.890 177.584 -0.032 0.000 1.191 190 A CA 2.592 54.554 52.037 -0.125 0.000 0.638 190 A CB -1.390 17.442 19.000 -0.282 0.000 0.823 190 A HN 0.456 nan 8.150 nan 0.000 0.451 191 T N -0.482 114.062 114.554 -0.018 0.000 2.777 191 T HA -0.089 4.289 4.350 0.048 0.000 0.266 191 T C 2.008 176.717 174.700 0.015 0.000 1.040 191 T CA 1.792 63.891 62.100 -0.002 0.000 1.141 191 T CB -0.541 68.308 68.868 -0.031 0.000 0.868 191 T HN 0.589 nan 8.240 nan 0.000 0.444 192 T N 2.558 117.103 114.554 -0.014 0.000 2.746 192 T HA -0.046 4.333 4.350 0.048 0.000 0.267 192 T C 1.919 176.625 174.700 0.011 0.000 1.039 192 T CA 0.901 62.988 62.100 -0.021 0.000 1.142 192 T CB -0.513 68.315 68.868 -0.068 0.000 0.866 192 T HN 0.137 nan 8.240 nan 0.000 0.444 193 L N 0.975 122.205 121.223 0.012 0.000 1.989 193 L HA -0.094 4.275 4.340 0.048 0.000 0.211 193 L C 2.115 179.083 176.870 0.162 0.000 1.071 193 L CA 1.620 56.495 54.840 0.059 0.000 0.749 193 L CB -0.591 41.497 42.059 0.050 0.000 0.890 193 L HN 0.127 nan 8.230 nan 0.000 0.431 194 I N 0.184 120.839 120.570 0.142 0.000 2.127 194 I HA -0.275 3.924 4.170 0.048 0.000 0.241 194 I C 2.720 178.877 176.117 0.066 0.000 1.075 194 I CA 1.665 63.023 61.300 0.098 0.000 1.334 194 I CB -2.045 35.970 38.000 0.025 0.000 1.040 194 I HN 0.395 nan 8.210 nan 0.000 0.405 195 A N 0.008 122.903 122.820 0.125 0.000 1.930 195 A HA -0.167 4.182 4.320 0.048 0.000 0.217 195 A C 2.415 180.251 177.584 0.421 0.000 1.175 195 A CA 2.156 54.334 52.037 0.236 0.000 0.627 195 A CB -1.057 18.156 19.000 0.355 0.000 0.815 195 A HN 0.422 nan 8.150 nan 0.000 0.443 196 T N 0.513 115.313 114.554 0.409 0.000 2.635 196 T HA -0.130 4.249 4.350 0.048 0.000 0.267 196 T C 2.223 177.078 174.700 0.258 0.000 1.040 196 T CA 1.902 64.268 62.100 0.443 0.000 1.156 196 T CB -0.510 68.466 68.868 0.180 0.000 0.863 196 T HN 0.613 nan 8.240 nan 0.000 0.430 197 A N 1.202 124.124 122.820 0.169 0.000 1.933 197 A HA 0.155 4.504 4.320 0.048 0.000 0.218 197 A C 2.599 180.146 177.584 -0.063 0.000 1.175 197 A CA 1.866 53.976 52.037 0.121 0.000 0.628 197 A CB -0.986 18.191 19.000 0.295 0.000 0.814 197 A HN 0.525 nan 8.150 nan 0.000 0.444 198 A N -1.776 120.911 122.820 -0.221 0.000 1.897 198 A HA 0.195 4.543 4.320 0.048 0.000 0.215 198 A C 1.552 178.721 177.584 -0.692 0.000 1.181 198 A CA 1.532 53.198 52.037 -0.618 0.000 0.620 198 A CB -0.359 18.024 19.000 -1.029 0.000 0.821 198 A HN 0.493 nan 8.150 nan 0.000 0.443 199 F N -1.741 118.144 119.950 -0.109 0.000 2.767 199 F HA 0.272 4.827 4.527 0.047 0.000 0.323 199 F C 1.568 177.092 175.800 -0.461 0.000 1.091 199 F CA -0.123 57.669 58.000 -0.346 0.000 1.192 199 F CB 0.181 38.833 39.000 -0.580 0.000 1.056 199 F HN 0.083 nan 8.300 nan 0.000 0.571 200 K N 1.895 122.267 120.400 -0.047 0.000 2.063 200 K HA -0.104 4.244 4.320 0.048 0.000 0.208 200 K C 2.060 178.683 176.600 0.039 0.000 1.048 200 K CA 1.797 58.143 56.287 0.097 0.000 0.928 200 K CB -0.451 32.206 32.500 0.262 0.000 0.713 200 K HN 0.123 nan 8.250 nan 0.000 0.442 201 A N -0.240 122.603 122.820 0.038 0.000 2.119 201 A HA 0.001 4.350 4.320 0.048 0.000 0.217 201 A C 2.107 179.710 177.584 0.030 0.000 1.153 201 A CA 1.341 53.405 52.037 0.045 0.000 0.692 201 A CB -0.298 18.738 19.000 0.059 0.000 0.799 201 A HN 0.139 nan 8.150 nan 0.000 0.458 202 V N -0.513 119.410 119.914 0.015 0.000 2.379 202 V HA -0.103 4.046 4.120 0.048 0.000 0.243 202 V C 2.990 179.033 176.094 -0.085 0.000 1.035 202 V CA 1.465 63.758 62.300 -0.010 0.000 1.035 202 V CB -1.198 30.655 31.823 0.050 0.000 0.673 202 V HN 0.534 nan 8.190 nan 0.000 0.457 203 A N 0.334 123.080 122.820 -0.124 0.000 1.948 203 A HA -0.262 4.087 4.320 0.048 0.000 0.220 203 A C 2.369 179.938 177.584 -0.025 0.000 1.177 203 A CA 2.720 54.697 52.037 -0.098 0.000 0.636 203 A CB -1.009 17.935 19.000 -0.093 0.000 0.815 203 A HN 0.519 nan 8.150 nan 0.000 0.449 204 T N -0.604 113.950 114.554 -0.000 0.000 2.777 204 T HA -0.106 4.273 4.350 0.048 0.000 0.266 204 T C 2.040 176.733 174.700 -0.012 0.000 1.040 204 T CA 1.230 63.339 62.100 0.014 0.000 1.141 204 T CB -0.230 68.657 68.868 0.031 0.000 0.868 204 T HN 0.488 nan 8.240 nan 0.000 0.444 205 R N 0.593 121.075 120.500 -0.030 0.000 2.103 205 R HA -0.039 4.329 4.340 0.048 0.000 0.242 205 R C 2.437 178.688 176.300 -0.082 0.000 1.142 205 R CA 1.200 57.266 56.100 -0.056 0.000 0.960 205 R CB -0.698 29.557 30.300 -0.076 0.000 0.858 205 R HN 0.385 nan 8.270 nan 0.000 0.439 206 L N 0.305 121.468 121.223 -0.101 0.000 2.056 206 L HA -0.198 4.171 4.340 0.048 0.000 0.207 206 L C 2.806 179.649 176.870 -0.045 0.000 1.078 206 L CA 1.321 56.102 54.840 -0.097 0.000 0.749 206 L CB -0.420 41.569 42.059 -0.116 0.000 0.901 206 L HN 0.269 nan 8.230 nan 0.000 0.433 207 Q N -0.068 119.718 119.800 -0.024 0.000 2.079 207 Q HA -0.171 4.197 4.340 0.048 0.000 0.200 207 Q C 2.259 178.261 176.000 0.003 0.000 0.974 207 Q CA 1.513 57.318 55.803 0.004 0.000 0.840 207 Q CB 0.066 28.815 28.738 0.019 0.000 0.898 207 Q HN 0.298 nan 8.270 nan 0.000 0.430 208 V N -0.030 119.879 119.914 -0.008 0.000 2.568 208 V HA -0.184 3.965 4.120 0.048 0.000 0.253 208 V C 1.910 177.998 176.094 -0.011 0.000 1.072 208 V CA 1.281 63.576 62.300 -0.010 0.000 1.084 208 V CB 0.084 31.898 31.823 -0.015 0.000 0.676 208 V HN 0.271 nan 8.190 nan 0.000 0.469 209 V N -0.988 118.917 119.914 -0.016 0.000 3.647 209 V HA 0.056 4.205 4.120 0.048 0.000 0.279 209 V C 1.224 177.325 176.094 0.011 0.000 1.314 209 V CA 0.692 62.983 62.300 -0.015 0.000 1.125 209 V CB 0.355 32.152 31.823 -0.044 0.000 0.907 209 V HN 0.559 nan 8.190 nan 0.000 0.434 210 T N 3.030 117.598 114.554 0.024 0.000 2.916 210 T HA 0.124 4.503 4.350 0.048 0.000 0.303 210 T C -1.872 172.866 174.700 0.063 0.000 1.025 210 T CA -0.772 61.362 62.100 0.057 0.000 1.142 210 T CB 1.107 70.016 68.868 0.069 0.000 0.947 210 T HN 0.219 nan 8.240 nan 0.000 0.544 211 P HA 0.305 nan 4.420 nan 0.000 0.228 211 P C 0.814 178.223 177.300 0.181 0.000 1.873 211 P CA -0.194 62.998 63.100 0.153 0.000 1.033 211 P CB -0.023 31.770 31.700 0.155 0.000 1.707 212 M N -1.199 118.468 119.600 0.111 0.000 2.319 212 M HA 0.008 4.517 4.480 0.048 0.000 0.265 212 M C 0.593 176.970 176.300 0.128 0.000 1.068 212 M CA 1.322 56.684 55.300 0.102 0.000 1.118 212 M CB -0.126 32.495 32.600 0.035 0.000 1.395 212 M HN -0.034 nan 8.290 nan 0.000 0.435 213 T N 0.231 114.839 114.554 0.091 0.000 2.895 213 T HA 0.228 4.606 4.350 0.048 0.000 0.283 213 T C -1.966 172.763 174.700 0.049 0.000 1.014 213 T CA -1.390 60.761 62.100 0.085 0.000 1.037 213 T CB 1.763 70.625 68.868 -0.010 0.000 1.006 213 T HN -0.095 nan 8.240 nan 0.000 0.468 214 P HA -0.015 nan 4.420 nan 0.000 0.226 214 P C 0.024 177.322 177.300 -0.003 0.000 1.146 214 P CA 0.485 63.544 63.100 -0.068 0.000 0.773 214 P CB -0.009 31.600 31.700 -0.152 0.000 0.772 215 V N 0.473 120.376 119.914 -0.019 0.000 2.381 215 V HA 0.156 4.305 4.120 0.048 0.000 0.257 215 V C 1.553 177.678 176.094 0.051 0.000 1.057 215 V CA 0.502 62.796 62.300 -0.009 0.000 1.013 215 V CB -0.209 31.578 31.823 -0.061 0.000 1.069 215 V HN 0.077 nan 8.190 nan 0.000 0.484 216 A N 4.782 127.684 122.820 0.137 0.000 2.178 216 A HA 0.185 4.534 4.320 0.048 0.000 0.211 216 A C 0.996 178.707 177.584 0.213 0.000 1.157 216 A CA 0.025 52.218 52.037 0.260 0.000 0.780 216 A CB -0.028 19.300 19.000 0.547 0.000 0.828 216 A HN 0.593 nan 8.150 nan 0.000 0.476 217 V N 0.560 120.457 119.914 -0.027 0.000 2.678 217 V HA 0.250 4.399 4.120 0.048 0.000 0.304 217 V C 1.654 177.786 176.094 0.063 0.000 1.086 217 V CA 1.477 63.681 62.300 -0.161 0.000 1.246 217 V CB -0.696 30.931 31.823 -0.327 0.000 0.861 217 V HN 1.205 nan 8.190 nan 0.000 0.491 218 G N 3.907 112.810 108.800 0.171 0.000 2.175 218 G HA2 -0.254 3.734 3.960 0.048 0.000 0.244 218 G HA3 -0.254 3.734 3.960 0.048 0.000 0.244 218 G C 0.136 175.107 174.900 0.117 0.000 0.982 218 G CA 0.081 45.254 45.100 0.122 0.000 0.641 218 G HN 0.846 nan 8.290 nan 0.000 0.527 219 I N 1.250 121.922 120.570 0.171 0.000 2.648 219 I HA 0.316 4.515 4.170 0.048 0.000 0.284 219 I C 0.265 176.439 176.117 0.096 0.000 1.153 219 I CA -0.599 60.784 61.300 0.138 0.000 1.426 219 I CB 0.508 38.632 38.000 0.206 0.000 1.381 219 I HN 0.139 nan 8.210 nan 0.000 0.571 220 N N 8.072 126.798 118.700 0.044 0.000 2.437 220 N HA 0.142 4.910 4.740 0.048 0.000 0.243 220 N C 0.297 175.822 175.510 0.025 0.000 1.041 220 N CA -0.335 52.721 53.050 0.010 0.000 0.940 220 N CB 0.947 39.407 38.487 -0.044 0.000 1.133 220 N HN 0.604 nan 8.380 nan 0.000 0.506 221 M N 0.824 120.463 119.600 0.066 0.000 2.619 221 M HA 0.038 4.546 4.480 0.048 0.000 0.251 221 M C -0.277 176.119 176.300 0.160 0.000 1.106 221 M CA 0.667 56.025 55.300 0.098 0.000 1.086 221 M CB -0.110 32.554 32.600 0.108 0.000 1.465 221 M HN 0.377 nan 8.290 nan 0.000 0.506 222 D N 1.484 121.978 120.400 0.157 0.000 3.058 222 D HA 0.207 4.876 4.640 0.048 0.000 0.272 222 D C 0.226 176.512 176.300 -0.023 0.000 1.350 222 D CA 0.159 54.321 54.000 0.269 0.000 0.863 222 D CB 0.389 41.317 40.800 0.213 0.000 1.064 222 D HN 0.252 nan 8.370 nan 0.000 0.488 223 S N -2.452 113.051 115.700 -0.328 0.000 2.672 223 S HA 0.140 4.638 4.470 0.048 0.000 0.271 223 S C 0.709 174.846 174.600 -0.771 0.000 1.171 223 S CA -0.621 57.042 58.200 -0.894 0.000 0.817 223 S CB 1.641 64.592 63.200 -0.415 0.000 1.150 223 S HN -0.154 nan 8.310 nan 0.000 0.478 224 V N 1.664 121.185 119.914 -0.655 0.000 2.546 224 V HA -0.232 3.917 4.120 0.048 0.000 0.254 224 V C 2.477 178.513 176.094 -0.096 0.000 1.076 224 V CA 2.738 64.887 62.300 -0.252 0.000 1.087 224 V CB -1.161 30.567 31.823 -0.159 0.000 0.674 224 V HN 0.853 nan 8.190 nan 0.000 0.470 225 Q N -1.123 118.618 119.800 -0.099 0.000 2.135 225 Q HA -0.254 4.115 4.340 0.048 0.000 0.204 225 Q C 2.266 178.269 176.000 0.005 0.000 0.981 225 Q CA 2.035 57.823 55.803 -0.026 0.000 0.856 225 Q CB -0.308 28.424 28.738 -0.011 0.000 0.902 225 Q HN 0.651 nan 8.270 nan 0.000 0.425 226 M N 0.684 120.280 119.600 -0.008 0.000 2.175 226 M HA -0.203 4.306 4.480 0.048 0.000 0.264 226 M C 1.586 177.888 176.300 0.002 0.000 1.063 226 M CA 1.788 57.077 55.300 -0.018 0.000 1.119 226 M CB -0.220 32.328 32.600 -0.088 0.000 1.377 226 M HN 0.197 nan 8.290 nan 0.000 0.415 227 Q N -0.415 119.413 119.800 0.047 0.000 2.119 227 Q HA -0.107 4.261 4.340 0.048 0.000 0.201 227 Q C 2.104 178.159 176.000 0.091 0.000 0.972 227 Q CA 1.623 57.480 55.803 0.091 0.000 0.847 227 Q CB -0.187 28.633 28.738 0.138 0.000 0.903 227 Q HN 0.433 nan 8.270 nan 0.000 0.433 228 V N 1.301 121.255 119.914 0.066 0.000 2.332 228 V HA -0.324 3.825 4.120 0.048 0.000 0.248 228 V C 2.241 178.385 176.094 0.083 0.000 1.055 228 V CA 2.013 64.355 62.300 0.069 0.000 1.038 228 V CB -0.523 31.332 31.823 0.054 0.000 0.651 228 V HN 0.469 nan 8.190 nan 0.000 0.450 229 M N 0.362 119.995 119.600 0.055 0.000 2.132 229 M HA -0.173 4.335 4.480 0.048 0.000 0.263 229 M C 2.089 178.443 176.300 0.089 0.000 1.065 229 M CA 2.324 57.601 55.300 -0.038 0.000 1.122 229 M CB -0.348 32.138 32.600 -0.191 0.000 1.365 229 M HN 0.445 nan 8.290 nan 0.000 0.411 230 N N 0.769 119.618 118.700 0.248 0.000 2.084 230 N HA -0.214 4.554 4.740 0.048 0.000 0.190 230 N C 1.091 176.696 175.510 0.157 0.000 1.030 230 N CA 2.238 55.467 53.050 0.299 0.000 0.849 230 N CB -0.258 38.451 38.487 0.370 0.000 1.012 230 N HN 0.343 nan 8.380 nan 0.000 0.423 231 D N -0.769 119.708 120.400 0.128 0.000 2.158 231 D HA -0.156 4.512 4.640 0.048 0.000 0.197 231 D C 1.870 178.228 176.300 0.096 0.000 0.995 231 D CA 1.517 55.576 54.000 0.099 0.000 0.846 231 D CB -0.614 40.239 40.800 0.088 0.000 0.941 231 D HN 0.495 nan 8.370 nan 0.000 0.456 232 S N -0.575 115.198 115.700 0.121 0.000 2.515 232 S HA 0.009 4.507 4.470 0.048 0.000 0.231 232 S C 1.959 176.630 174.600 0.118 0.000 0.987 232 S CA 0.165 58.448 58.200 0.138 0.000 0.936 232 S CB -0.318 63.018 63.200 0.226 0.000 0.766 232 S HN 0.243 nan 8.310 nan 0.000 0.528 233 L N -0.301 120.979 121.223 0.095 0.000 2.270 233 L HA 0.214 4.583 4.340 0.048 0.000 0.210 233 L C 0.704 177.595 176.870 0.036 0.000 1.104 233 L CA 0.228 55.102 54.840 0.057 0.000 0.804 233 L CB -0.353 41.714 42.059 0.012 0.000 0.937 233 L HN 0.093 nan 8.230 nan 0.000 0.450 234 K N 0.665 121.090 120.400 0.041 0.000 2.524 234 K HA 0.211 4.559 4.320 0.048 0.000 0.279 234 K C 1.030 177.645 176.600 0.026 0.000 0.993 234 K CA 1.069 57.373 56.287 0.029 0.000 1.030 234 K CB 0.030 32.552 32.500 0.036 0.000 0.891 234 K HN 0.251 nan 8.250 nan 0.000 0.488 235 G N 0.673 109.482 108.800 0.015 0.000 2.141 235 G HA2 -0.179 3.810 3.960 0.048 0.000 0.242 235 G HA3 -0.179 3.810 3.960 0.048 0.000 0.242 235 G C 0.353 175.259 174.900 0.010 0.000 0.982 235 G CA -0.162 44.946 45.100 0.013 0.000 0.662 235 G HN 0.930 nan 8.290 nan 0.000 0.527 236 G N -1.680 107.124 108.800 0.006 0.000 2.658 236 G HA2 0.711 4.700 3.960 0.048 0.000 0.292 236 G HA3 0.711 4.700 3.960 0.048 0.000 0.292 236 G C -0.686 174.199 174.900 -0.024 0.000 1.320 236 G CA -0.169 44.933 45.100 0.003 0.000 0.933 236 G HN 0.865 nan 8.290 nan 0.000 0.476 237 V N 0.703 120.596 119.914 -0.035 0.000 2.461 237 V HA 0.346 4.494 4.120 0.048 0.000 0.275 237 V C -0.129 175.877 176.094 -0.147 0.000 1.047 237 V CA -0.474 61.760 62.300 -0.111 0.000 0.955 237 V CB 1.138 32.895 31.823 -0.109 0.000 0.988 237 V HN 0.585 nan 8.190 nan 0.000 0.471 238 L N 6.896 127.976 121.223 -0.239 0.000 2.275 238 L HA 0.531 4.899 4.340 0.048 0.000 0.288 238 L C -1.096 175.543 176.870 -0.385 0.000 1.046 238 L CA 0.168 54.890 54.840 -0.197 0.000 0.805 238 L CB 0.789 42.761 42.059 -0.145 0.000 1.193 238 L HN 0.539 nan 8.230 nan 0.000 0.426 239 Y N 3.488 123.735 120.300 -0.089 0.000 2.350 239 Y HA 0.478 5.056 4.550 0.047 0.000 0.338 239 Y C -0.282 175.559 175.900 -0.099 0.000 0.961 239 Y CA -0.521 57.537 58.100 -0.071 0.000 1.100 239 Y CB 1.755 40.206 38.460 -0.015 0.000 1.179 239 Y HN 0.475 nan 8.280 nan 0.000 0.454 240 C N 5.735 125.059 119.300 0.040 0.000 2.271 240 C HA 0.691 5.179 4.460 0.048 0.000 0.323 240 C C -0.191 174.801 174.990 0.004 0.000 1.245 240 C CA -1.080 57.928 59.018 -0.018 0.000 1.548 240 C CB -1.109 26.612 27.740 -0.031 0.000 2.214 240 C HN 0.660 nan 8.230 nan 0.000 0.477 241 L N 2.363 123.568 121.223 -0.031 0.000 2.319 241 L HA 0.562 4.931 4.340 0.048 0.000 0.267 241 L C 0.372 177.273 176.870 0.052 0.000 1.011 241 L CA -0.171 54.658 54.840 -0.017 0.000 0.818 241 L CB 1.684 43.698 42.059 -0.076 0.000 1.316 241 L HN 0.451 nan 8.230 nan 0.000 0.432 242 D N -0.332 120.096 120.400 0.046 0.000 2.520 242 D HA 0.110 4.779 4.640 0.048 0.000 0.223 242 D C -0.804 175.615 176.300 0.199 0.000 1.186 242 D CA -0.400 53.665 54.000 0.108 0.000 0.821 242 D CB 0.347 41.177 40.800 0.050 0.000 1.072 242 D HN 0.342 nan 8.370 nan 0.000 0.518 243 Y N 0.262 120.609 120.300 0.079 0.000 2.557 243 Y HA -0.275 4.303 4.550 0.047 0.000 0.045 243 Y C 0.517 176.506 175.900 0.149 0.000 1.743 243 Y CA 0.289 58.478 58.100 0.148 0.000 1.381 243 Y CB -0.852 37.775 38.460 0.279 0.000 2.027 243 Y HN -0.174 nan 8.280 nan 0.000 0.263 244 S N 4.441 120.272 115.700 0.218 0.000 2.545 244 S HA 0.345 4.844 4.470 0.048 0.000 0.275 244 S C 0.278 174.989 174.600 0.185 0.000 1.299 244 S CA -0.554 57.739 58.200 0.154 0.000 1.048 244 S CB 0.891 64.133 63.200 0.070 0.000 0.938 244 S HN 0.522 nan 8.310 nan 0.000 0.496 245 K N 1.263 121.756 120.400 0.154 0.000 3.150 245 K HA -0.188 4.161 4.320 0.048 0.000 0.267 245 K C 0.524 177.193 176.600 0.115 0.000 1.028 245 K CA 0.413 56.761 56.287 0.103 0.000 0.753 245 K CB -1.081 31.432 32.500 0.021 0.000 1.288 245 K HN 0.828 nan 8.250 nan 0.000 0.473 246 W N 1.480 122.801 121.300 0.036 0.000 2.358 246 W HA -0.212 4.476 4.660 0.046 0.000 0.303 246 W C 1.115 177.623 176.519 -0.019 0.000 1.208 246 W CA 2.062 59.412 57.345 0.009 0.000 1.274 246 W CB 0.000 29.483 29.460 0.037 0.000 1.138 246 W HN 0.314 nan 8.180 nan 0.000 0.515 247 D N -0.067 120.384 120.400 0.086 0.000 2.123 247 D HA -0.173 4.496 4.640 0.048 0.000 0.200 247 D C 2.369 178.571 176.300 -0.162 0.000 0.976 247 D CA 2.160 56.171 54.000 0.018 0.000 0.831 247 D CB -0.764 40.149 40.800 0.187 0.000 0.974 247 D HN 0.203 nan 8.370 nan 0.000 0.469 248 S N 0.118 115.645 115.700 -0.288 0.000 2.481 248 S HA -0.085 4.413 4.470 0.048 0.000 0.231 248 S C 1.731 176.049 174.600 -0.469 0.000 0.996 248 S CA 1.346 59.104 58.200 -0.736 0.000 0.942 248 S CB -0.484 62.253 63.200 -0.771 0.000 0.768 248 S HN 0.272 nan 8.310 nan 0.000 0.520 249 T N -1.586 112.747 114.554 -0.368 0.000 3.105 249 T HA 0.263 4.641 4.350 0.048 0.000 0.253 249 T C 0.233 174.712 174.700 -0.368 0.000 1.047 249 T CA -0.540 61.361 62.100 -0.332 0.000 0.944 249 T CB -0.087 68.597 68.868 -0.307 0.000 1.016 249 T HN 0.164 nan 8.240 nan 0.000 0.544 250 Q N 2.748 122.327 119.800 -0.369 0.000 2.304 250 Q HA 0.257 4.626 4.340 0.048 0.000 0.260 250 Q C -0.255 175.677 176.000 -0.112 0.000 0.965 250 Q CA -0.063 55.588 55.803 -0.254 0.000 0.898 250 Q CB 0.746 29.338 28.738 -0.243 0.000 1.196 250 Q HN 0.456 nan 8.270 nan 0.000 0.402 251 N N 3.508 122.198 118.700 -0.017 0.000 2.499 251 N HA 0.106 4.874 4.740 0.048 0.000 0.281 251 N C -1.847 173.625 175.510 -0.064 0.000 1.098 251 N CA -1.694 51.337 53.050 -0.031 0.000 0.979 251 N CB 1.319 39.807 38.487 0.003 0.000 1.121 251 N HN 0.095 nan 8.380 nan 0.000 0.466 252 P HA -0.122 nan 4.420 nan 0.000 0.216 252 P C 0.672 177.934 177.300 -0.065 0.000 1.150 252 P CA 1.320 64.390 63.100 -0.050 0.000 0.843 252 P CB 0.172 31.851 31.700 -0.035 0.000 0.787 253 A N -1.062 121.712 122.820 -0.076 0.000 2.016 253 A HA -0.054 4.294 4.320 0.048 0.000 0.217 253 A C 2.249 179.755 177.584 -0.131 0.000 1.162 253 A CA 1.121 53.105 52.037 -0.088 0.000 0.662 253 A CB -1.369 17.583 19.000 -0.080 0.000 0.812 253 A HN 0.033 nan 8.150 nan 0.000 0.450 254 V N -0.410 119.394 119.914 -0.184 0.000 2.379 254 V HA -0.184 3.965 4.120 0.048 0.000 0.245 254 V C 2.691 178.664 176.094 -0.201 0.000 1.044 254 V CA 2.391 64.519 62.300 -0.285 0.000 1.036 254 V CB -1.209 30.273 31.823 -0.568 0.000 0.664 254 V HN 0.555 nan 8.190 nan 0.000 0.453 255 T N 0.628 115.098 114.554 -0.140 0.000 2.759 255 T HA -0.174 4.205 4.350 0.048 0.000 0.269 255 T C 2.008 176.663 174.700 -0.074 0.000 1.042 255 T CA 1.656 63.703 62.100 -0.088 0.000 1.140 255 T CB -0.377 68.458 68.868 -0.056 0.000 0.864 255 T HN 0.563 nan 8.240 nan 0.000 0.455 256 A N 1.111 123.889 122.820 -0.071 0.000 1.968 256 A HA 0.313 4.662 4.320 0.048 0.000 0.217 256 A C 2.595 180.141 177.584 -0.064 0.000 1.169 256 A CA 1.500 53.505 52.037 -0.053 0.000 0.638 256 A CB -0.857 18.117 19.000 -0.045 0.000 0.812 256 A HN 0.493 nan 8.150 nan 0.000 0.446 257 A N -0.646 122.123 122.820 -0.085 0.000 1.930 257 A HA -0.013 4.336 4.320 0.048 0.000 0.217 257 A C 2.412 179.945 177.584 -0.085 0.000 1.175 257 A CA 1.877 53.863 52.037 -0.085 0.000 0.627 257 A CB -0.697 18.239 19.000 -0.106 0.000 0.815 257 A HN 0.416 nan 8.150 nan 0.000 0.443 258 S N -0.104 115.538 115.700 -0.097 0.000 2.368 258 S HA -0.068 4.430 4.470 0.048 0.000 0.224 258 S C 1.830 176.354 174.600 -0.126 0.000 1.029 258 S CA 1.340 59.483 58.200 -0.096 0.000 0.988 258 S CB -0.431 62.717 63.200 -0.086 0.000 0.838 258 S HN 0.516 nan 8.310 nan 0.000 0.462 259 L N 1.073 122.220 121.223 -0.127 0.000 2.046 259 L HA -0.142 4.227 4.340 0.048 0.000 0.208 259 L C 2.690 179.483 176.870 -0.129 0.000 1.077 259 L CA 1.272 56.011 54.840 -0.169 0.000 0.747 259 L CB -0.596 41.420 42.059 -0.071 0.000 0.896 259 L HN 0.325 nan 8.230 nan 0.000 0.432 260 A N -0.233 122.546 122.820 -0.069 0.000 2.067 260 A HA -0.091 4.257 4.320 0.048 0.000 0.219 260 A C 2.170 179.717 177.584 -0.061 0.000 1.158 260 A CA 1.059 53.069 52.037 -0.045 0.000 0.661 260 A CB -0.539 18.436 19.000 -0.042 0.000 0.801 260 A HN 0.380 nan 8.150 nan 0.000 0.452 261 I N -0.667 119.867 120.570 -0.060 0.000 2.353 261 I HA -0.204 3.994 4.170 0.048 0.000 0.248 261 I C 2.279 178.433 176.117 0.061 0.000 1.119 261 I CA 0.858 62.152 61.300 -0.011 0.000 1.417 261 I CB -0.209 37.808 38.000 0.029 0.000 1.078 261 I HN 0.281 nan 8.210 nan 0.000 0.421 262 L N 0.324 121.516 121.223 -0.051 0.000 2.056 262 L HA -0.201 4.167 4.340 0.048 0.000 0.207 262 L C 2.605 179.526 176.870 0.085 0.000 1.078 262 L CA 1.302 56.094 54.840 -0.081 0.000 0.749 262 L CB -0.537 41.136 42.059 -0.644 0.000 0.901 262 L HN 0.286 nan 8.230 nan 0.000 0.433 263 E N 0.289 120.532 120.200 0.072 0.000 2.130 263 E HA -0.291 4.088 4.350 0.048 0.000 0.196 263 E C 2.322 178.937 176.600 0.025 0.000 0.998 263 E CA 0.956 57.467 56.400 0.186 0.000 0.806 263 E CB 0.014 29.787 29.700 0.121 0.000 0.738 263 E HN 0.199 nan 8.360 nan 0.000 0.459 264 R N -0.193 120.225 120.500 -0.136 0.000 2.193 264 R HA -0.124 4.245 4.340 0.048 0.000 0.229 264 R C 0.834 176.806 176.300 -0.548 0.000 1.110 264 R CA 0.972 56.833 56.100 -0.398 0.000 0.988 264 R CB -0.143 29.774 30.300 -0.639 0.000 0.871 264 R HN 0.212 nan 8.270 nan 0.000 0.458 265 F N -0.834 119.117 119.950 0.001 0.000 2.639 265 F HA 0.401 4.957 4.527 0.047 0.000 0.302 265 F C 0.686 176.485 175.800 -0.003 0.000 1.097 265 F CA -0.209 57.786 58.000 -0.008 0.000 1.294 265 F CB 0.420 39.414 39.000 -0.010 0.000 1.027 265 F HN -0.103 nan 8.300 nan 0.000 0.550 266 A N -0.022 122.868 122.820 0.116 0.000 2.354 266 A HA 0.442 4.790 4.320 0.048 0.000 0.321 266 A C -0.154 177.425 177.584 -0.007 0.000 1.125 266 A CA -0.643 51.436 52.037 0.069 0.000 0.799 266 A CB 0.643 19.713 19.000 0.117 0.000 1.293 266 A HN 0.186 nan 8.150 nan 0.000 0.452 267 E N 1.323 121.506 120.200 -0.029 0.000 2.415 267 E HA 0.142 4.520 4.350 0.048 0.000 0.260 267 E C -2.127 174.482 176.600 0.014 0.000 1.016 267 E CA -1.387 55.002 56.400 -0.018 0.000 0.924 267 E CB 0.201 29.902 29.700 0.003 0.000 0.961 267 E HN 0.212 nan 8.360 nan 0.000 0.459 268 P HA -0.014 nan 4.420 nan 0.000 0.260 268 P C -1.105 176.213 177.300 0.030 0.000 1.207 268 P CA 0.734 63.836 63.100 0.003 0.000 0.780 268 P CB 0.190 31.875 31.700 -0.024 0.000 0.789 269 H N 4.145 123.167 119.070 -0.080 0.000 3.038 269 H HA 0.200 4.785 4.556 0.048 0.000 0.362 269 H C -2.110 173.150 175.328 -0.114 0.000 1.167 269 H CA -1.909 54.081 56.048 -0.096 0.000 1.197 269 H CB 2.314 32.010 29.762 -0.110 0.000 1.840 269 H HN 0.050 nan 8.280 nan 0.000 0.540 270 P HA -0.188 nan 4.420 nan 0.000 0.217 270 P C 1.770 179.079 177.300 0.015 0.000 1.151 270 P CA 1.107 64.158 63.100 -0.083 0.000 0.849 270 P CB 0.388 31.980 31.700 -0.180 0.000 0.787 271 I N -1.368 119.320 120.570 0.197 0.000 2.179 271 I HA -0.159 4.040 4.170 0.048 0.000 0.242 271 I C 2.267 178.294 176.117 -0.150 0.000 1.088 271 I CA 1.531 62.769 61.300 -0.104 0.000 1.357 271 I CB -1.341 36.461 38.000 -0.330 0.000 1.051 271 I HN -0.115 nan 8.210 nan 0.000 0.409 272 V N 0.185 120.013 119.914 -0.143 0.000 2.295 272 V HA -0.258 3.890 4.120 0.048 0.000 0.246 272 V C 2.729 178.771 176.094 -0.086 0.000 1.049 272 V CA 2.093 64.255 62.300 -0.230 0.000 1.024 272 V CB -0.663 31.067 31.823 -0.155 0.000 0.648 272 V HN 0.404 nan 8.190 nan 0.000 0.447 273 S N -1.505 114.173 115.700 -0.036 0.000 2.382 273 S HA -0.227 4.271 4.470 0.048 0.000 0.228 273 S C 2.050 176.643 174.600 -0.010 0.000 1.027 273 S CA 1.914 60.108 58.200 -0.011 0.000 0.991 273 S CB -0.492 62.693 63.200 -0.025 0.000 0.823 273 S HN 0.670 nan 8.310 nan 0.000 0.469 274 C N 1.303 120.582 119.300 -0.035 0.000 2.446 274 C HA 0.134 4.623 4.460 0.048 0.000 0.277 274 C C 3.040 178.028 174.990 -0.003 0.000 1.275 274 C CA 0.570 59.569 59.018 -0.032 0.000 1.727 274 C CB -1.552 26.149 27.740 -0.065 0.000 2.010 274 C HN 0.727 nan 8.230 nan 0.000 0.486 275 A N 0.456 123.269 122.820 -0.012 0.000 1.902 275 A HA -0.133 4.215 4.320 0.048 0.000 0.217 275 A C 1.966 179.644 177.584 0.156 0.000 1.181 275 A CA 1.675 53.747 52.037 0.057 0.000 0.623 275 A CB -0.593 18.387 19.000 -0.034 0.000 0.818 275 A HN 0.598 nan 8.150 nan 0.000 0.443 276 I N -0.617 120.052 120.570 0.165 0.000 2.226 276 I HA -0.260 3.939 4.170 0.048 0.000 0.245 276 I C 2.540 178.710 176.117 0.088 0.000 1.100 276 I CA 1.785 63.182 61.300 0.161 0.000 1.374 276 I CB -0.336 37.752 38.000 0.147 0.000 1.057 276 I HN 0.574 nan 8.210 nan 0.000 0.413 277 E N 1.465 121.699 120.200 0.058 0.000 2.038 277 E HA -0.268 4.110 4.350 0.048 0.000 0.195 277 E C 2.266 178.894 176.600 0.046 0.000 1.000 277 E CA 1.600 58.022 56.400 0.037 0.000 0.803 277 E CB -0.095 29.616 29.700 0.018 0.000 0.750 277 E HN 0.452 nan 8.360 nan 0.000 0.448 278 A N 1.056 123.909 122.820 0.055 0.000 1.858 278 A HA -0.151 4.198 4.320 0.048 0.000 0.216 278 A C 2.244 179.880 177.584 0.087 0.000 1.190 278 A CA 1.529 53.605 52.037 0.066 0.000 0.617 278 A CB -0.776 18.261 19.000 0.062 0.000 0.827 278 A HN 0.365 nan 8.150 nan 0.000 0.443 279 L N 0.491 121.779 121.223 0.108 0.000 2.465 279 L HA -0.062 4.307 4.340 0.048 0.000 0.224 279 L C 2.305 179.219 176.870 0.075 0.000 1.145 279 L CA 1.196 56.104 54.840 0.114 0.000 0.834 279 L CB -0.247 41.903 42.059 0.153 0.000 0.944 279 L HN 0.592 nan 8.230 nan 0.000 0.451 280 S N -2.027 113.708 115.700 0.058 0.000 2.540 280 S HA 0.075 4.574 4.470 0.048 0.000 0.218 280 S C 0.856 175.470 174.600 0.023 0.000 0.977 280 S CA -0.340 57.877 58.200 0.029 0.000 0.918 280 S CB -0.062 63.149 63.200 0.018 0.000 0.806 280 S HN 0.330 nan 8.310 nan 0.000 0.496 281 S N 1.772 117.494 115.700 0.037 0.000 2.616 281 S HA 0.631 5.129 4.470 0.048 0.000 0.277 281 S C -2.998 171.623 174.600 0.035 0.000 1.234 281 S CA -1.499 56.720 58.200 0.031 0.000 1.028 281 S CB 0.132 63.354 63.200 0.036 0.000 0.988 281 S HN 0.066 nan 8.310 nan 0.000 0.522 282 P HA 0.211 nan 4.420 nan 0.000 0.265 282 P C -0.549 176.774 177.300 0.037 0.000 1.187 282 P CA 0.100 63.201 63.100 0.003 0.000 0.766 282 P CB 0.094 31.779 31.700 -0.025 0.000 0.820 283 A N 2.970 125.799 122.820 0.015 0.000 2.371 283 A HA 0.261 4.610 4.320 0.048 0.000 0.257 283 A C 0.017 177.700 177.584 0.166 0.000 1.089 283 A CA -0.176 51.927 52.037 0.110 0.000 0.794 283 A CB 0.072 18.968 19.000 -0.174 0.000 1.029 283 A HN 0.560 nan 8.150 nan 0.000 0.488 284 E N 0.917 121.340 120.200 0.371 0.000 2.235 284 E HA 0.437 4.815 4.350 0.048 0.000 0.252 284 E C -0.199 176.688 176.600 0.478 0.000 0.886 284 E CA -0.388 56.185 56.400 0.288 0.000 0.767 284 E CB 1.785 31.627 29.700 0.236 0.000 1.205 284 E HN 0.785 nan 8.360 nan 0.000 0.421 285 G N 2.821 111.835 108.800 0.356 0.000 2.329 285 G HA2 0.265 4.253 3.960 0.048 0.000 0.309 285 G HA3 0.265 4.253 3.960 0.048 0.000 0.309 285 G C -0.895 174.051 174.900 0.077 0.000 1.110 285 G CA -0.228 45.029 45.100 0.262 0.000 0.923 285 G HN 0.351 nan 8.290 nan 0.000 0.430 286 Y N 1.750 122.051 120.300 0.001 0.000 2.336 286 Y HA 0.419 4.997 4.550 0.046 0.000 0.335 286 Y C 0.632 176.477 175.900 -0.090 0.000 1.046 286 Y CA -0.595 57.476 58.100 -0.049 0.000 1.198 286 Y CB 1.738 40.161 38.460 -0.061 0.000 1.182 286 Y HN 0.523 nan 8.280 nan 0.000 0.502 287 V N 1.639 121.536 119.914 -0.028 0.000 2.888 287 V HA 0.571 4.719 4.120 0.048 0.000 0.309 287 V C -0.110 175.935 176.094 -0.082 0.000 1.114 287 V CA -1.203 61.069 62.300 -0.046 0.000 0.940 287 V CB 1.757 33.544 31.823 -0.061 0.000 1.021 287 V HN 0.944 nan 8.190 nan 0.000 0.426 288 N N 3.370 122.059 118.700 -0.018 0.000 1.194 288 N HA -0.280 4.489 4.740 0.048 0.000 0.131 288 N C 0.642 176.145 175.510 -0.012 0.000 0.688 288 N CA 2.342 55.387 53.050 -0.008 0.000 0.927 288 N CB -0.917 37.565 38.487 -0.008 0.000 1.224 288 N HN 1.221 nan 8.380 nan 0.000 0.529 289 D N 1.540 121.911 120.400 -0.048 0.000 2.431 289 D HA 0.225 4.894 4.640 0.048 0.000 0.213 289 D C 0.876 177.135 176.300 -0.068 0.000 1.130 289 D CA -0.106 53.883 54.000 -0.018 0.000 0.834 289 D CB -0.358 40.446 40.800 0.008 0.000 0.985 289 D HN 0.691 nan 8.370 nan 0.000 0.504 290 I N -2.352 118.101 120.570 -0.194 0.000 3.100 290 I HA 0.621 4.819 4.170 0.048 0.000 0.312 290 I C -0.701 175.208 176.117 -0.347 0.000 1.063 290 I CA -1.261 59.864 61.300 -0.292 0.000 1.031 290 I CB 2.220 39.884 38.000 -0.560 0.000 1.243 290 I HN -0.202 nan 8.210 nan 0.000 0.483 291 K N 1.964 122.138 120.400 -0.376 0.000 2.501 291 K HA 0.457 4.806 4.320 0.048 0.000 0.252 291 K C -2.135 174.340 176.600 -0.207 0.000 0.934 291 K CA -0.540 55.501 56.287 -0.409 0.000 0.797 291 K CB 2.340 34.389 32.500 -0.752 0.000 1.270 291 K HN 0.647 nan 8.250 nan 0.000 0.431 292 F N 3.470 123.276 119.950 -0.239 0.000 2.415 292 F HA 0.410 4.966 4.527 0.049 0.000 0.348 292 F C -1.193 174.597 175.800 -0.018 0.000 1.119 292 F CA -0.750 57.182 58.000 -0.114 0.000 1.069 292 F CB 1.381 40.346 39.000 -0.059 0.000 1.124 292 F HN 0.270 nan 8.300 nan 0.000 0.472 293 V N 5.410 124.878 119.914 -0.743 0.000 2.370 293 V HA 0.285 4.434 4.120 0.048 0.000 0.279 293 V C 0.220 175.807 176.094 -0.845 0.000 1.029 293 V CA -0.693 61.267 62.300 -0.568 0.000 0.870 293 V CB 1.212 32.875 31.823 -0.267 0.000 0.984 293 V HN 0.894 nan 8.190 nan 0.000 0.451 294 T N 2.499 116.728 114.554 -0.541 0.000 2.926 294 T HA 0.263 4.642 4.350 0.048 0.000 0.307 294 T C 0.761 175.393 174.700 -0.114 0.000 1.059 294 T CA -0.243 61.690 62.100 -0.278 0.000 1.122 294 T CB 1.168 70.048 68.868 0.020 0.000 0.972 294 T HN 0.520 nan 8.240 nan 0.000 0.545 295 R N 1.039 121.545 120.500 0.010 0.000 2.282 295 R HA 0.477 4.845 4.340 0.048 0.000 0.195 295 R C 1.085 177.402 176.300 0.029 0.000 0.909 295 R CA 0.647 56.760 56.100 0.021 0.000 1.039 295 R CB 0.590 30.921 30.300 0.052 0.000 1.015 295 R HN 1.010 nan 8.270 nan 0.000 0.513 296 G N -2.360 106.475 108.800 0.058 0.000 2.550 296 G HA2 0.480 4.469 3.960 0.048 0.000 0.293 296 G HA3 0.480 4.469 3.960 0.048 0.000 0.293 296 G C -0.781 174.139 174.900 0.034 0.000 1.402 296 G CA -0.291 44.818 45.100 0.016 0.000 0.784 296 G HN 0.346 nan 8.290 nan 0.000 0.482 297 G N -1.878 106.890 108.800 -0.053 0.000 2.756 297 G HA2 0.340 4.329 3.960 0.048 0.000 0.678 297 G HA3 0.340 4.329 3.960 0.048 0.000 0.678 297 G C -1.435 173.485 174.900 0.033 0.000 1.349 297 G CA -0.128 44.913 45.100 -0.099 0.000 0.847 297 G HN 1.512 nan 8.290 nan 0.000 0.548 298 L N 1.963 123.213 121.223 0.045 0.000 2.365 298 L HA 0.698 5.067 4.340 0.048 0.000 0.273 298 L C -1.809 174.934 176.870 -0.211 0.000 1.000 298 L CA -2.146 52.656 54.840 -0.064 0.000 0.819 298 L CB 1.952 43.974 42.059 -0.062 0.000 1.284 298 L HN 0.511 nan 8.230 nan 0.000 0.418 299 P HA 0.084 nan 4.420 nan 0.000 0.271 299 P C 0.403 177.279 177.300 -0.707 0.000 1.216 299 P CA -0.122 62.061 63.100 -1.528 0.000 0.771 299 P CB 0.647 31.056 31.700 -2.151 0.000 0.864 300 S N 1.752 117.179 115.700 -0.455 0.000 2.507 300 S HA -0.044 4.455 4.470 0.048 0.000 0.235 300 S C 1.651 176.246 174.600 -0.009 0.000 0.988 300 S CA 0.970 59.137 58.200 -0.056 0.000 0.944 300 S CB -1.001 62.273 63.200 0.123 0.000 0.762 300 S HN 0.593 nan 8.310 nan 0.000 0.526 301 G N 1.522 110.284 108.800 -0.063 0.000 3.337 301 G HA2 0.394 4.383 3.960 0.048 0.000 0.246 301 G HA3 0.394 4.383 3.960 0.048 0.000 0.246 301 G C 0.363 175.362 174.900 0.165 0.000 1.131 301 G CA -0.446 44.717 45.100 0.105 0.000 0.773 301 G HN 0.684 nan 8.290 nan 0.000 0.544 302 M N 0.378 120.018 119.600 0.066 0.000 2.250 302 M HA 0.422 4.930 4.480 0.048 0.000 0.325 302 M C -2.526 173.840 176.300 0.109 0.000 1.084 302 M CA -1.348 54.064 55.300 0.186 0.000 1.161 302 M CB -0.031 32.638 32.600 0.115 0.000 1.481 302 M HN -0.274 nan 8.290 nan 0.000 0.449 303 P HA 0.024 nan 4.420 nan 0.000 0.265 303 P C -0.693 176.646 177.300 0.066 0.000 1.187 303 P CA 0.314 63.389 63.100 -0.042 0.000 0.766 303 P CB -0.116 31.613 31.700 0.048 0.000 0.820 304 F N -0.654 119.339 119.950 0.072 0.000 3.100 304 F HA -0.268 4.288 4.527 0.049 0.000 0.283 304 F C 1.940 177.753 175.800 0.023 0.000 0.900 304 F CA 1.320 59.345 58.000 0.042 0.000 1.010 304 F CB -2.966 36.063 39.000 0.047 0.000 1.029 304 F HN 0.320 nan 8.300 nan 0.000 0.637 305 T N -1.182 113.441 114.554 0.115 0.000 2.624 305 T HA -0.290 4.088 4.350 0.048 0.000 0.268 305 T C 2.073 176.831 174.700 0.097 0.000 1.041 305 T CA 2.502 64.661 62.100 0.099 0.000 1.159 305 T CB -0.143 68.770 68.868 0.076 0.000 0.863 305 T HN 0.499 nan 8.240 nan 0.000 0.434 306 S N 0.206 115.937 115.700 0.052 0.000 2.368 306 S HA -0.056 4.442 4.470 0.048 0.000 0.225 306 S C 2.160 176.709 174.600 -0.084 0.000 1.030 306 S CA 1.279 59.440 58.200 -0.066 0.000 0.999 306 S CB -0.467 62.585 63.200 -0.247 0.000 0.844 306 S HN 0.426 nan 8.310 nan 0.000 0.459 307 V N 1.529 121.439 119.914 -0.007 0.000 2.270 307 V HA -0.129 4.019 4.120 0.048 0.000 0.245 307 V C 2.353 178.443 176.094 -0.007 0.000 1.043 307 V CA 1.458 63.746 62.300 -0.020 0.000 1.014 307 V CB -0.842 30.990 31.823 0.016 0.000 0.645 307 V HN 0.337 nan 8.190 nan 0.000 0.447 308 V N 0.572 120.507 119.914 0.035 0.000 2.343 308 V HA -0.250 3.898 4.120 0.048 0.000 0.247 308 V C 2.273 178.421 176.094 0.090 0.000 1.051 308 V CA 2.133 64.449 62.300 0.027 0.000 1.036 308 V CB -0.892 30.957 31.823 0.044 0.000 0.654 308 V HN 0.584 nan 8.190 nan 0.000 0.451 309 N N 0.037 118.832 118.700 0.158 0.000 2.223 309 N HA -0.121 4.647 4.740 0.048 0.000 0.185 309 N C 2.018 177.723 175.510 0.326 0.000 1.016 309 N CA 1.632 54.880 53.050 0.332 0.000 0.863 309 N CB -0.024 38.717 38.487 0.423 0.000 0.983 309 N HN 0.415 nan 8.380 nan 0.000 0.429 310 S N 0.940 116.724 115.700 0.141 0.000 2.414 310 S HA 0.097 4.595 4.470 0.048 0.000 0.227 310 S C 2.073 176.739 174.600 0.109 0.000 1.022 310 S CA 0.321 58.579 58.200 0.095 0.000 0.958 310 S CB 0.117 63.303 63.200 -0.023 0.000 0.797 310 S HN 0.243 nan 8.310 nan 0.000 0.493 311 I N 2.108 122.713 120.570 0.058 0.000 2.252 311 I HA -0.159 4.040 4.170 0.048 0.000 0.245 311 I C 2.049 178.206 176.117 0.067 0.000 1.102 311 I CA 0.765 62.075 61.300 0.018 0.000 1.385 311 I CB -0.520 37.457 38.000 -0.038 0.000 1.064 311 I HN 0.164 nan 8.210 nan 0.000 0.414 312 N N 0.434 119.202 118.700 0.112 0.000 2.061 312 N HA -0.282 4.487 4.740 0.048 0.000 0.193 312 N C 1.835 177.524 175.510 0.298 0.000 1.030 312 N CA 1.662 54.766 53.050 0.090 0.000 0.856 312 N CB -0.690 37.912 38.487 0.192 0.000 1.023 312 N HN 0.492 nan 8.380 nan 0.000 0.424 313 H N -0.466 118.860 119.070 0.426 0.000 2.387 313 H HA 0.058 4.642 4.556 0.047 0.000 0.299 313 H C 2.058 177.592 175.328 0.343 0.000 1.090 313 H CA 1.333 57.680 56.048 0.498 0.000 1.332 313 H CB 0.115 30.003 29.762 0.211 0.000 1.386 313 H HN 0.157 nan 8.280 nan 0.000 0.516 314 M N -0.376 119.449 119.600 0.376 0.000 2.132 314 M HA -0.122 4.386 4.480 0.048 0.000 0.263 314 M C 2.219 178.720 176.300 0.336 0.000 1.065 314 M CA 1.270 56.744 55.300 0.290 0.000 1.122 314 M CB -0.008 32.526 32.600 -0.110 0.000 1.365 314 M HN 0.315 nan 8.290 nan 0.000 0.411 315 I N -0.904 119.754 120.570 0.146 0.000 2.163 315 I HA -0.330 3.868 4.170 0.048 0.000 0.243 315 I C 2.179 178.305 176.117 0.015 0.000 1.085 315 I CA 1.590 62.899 61.300 0.014 0.000 1.347 315 I CB -0.438 37.452 38.000 -0.184 0.000 1.044 315 I HN 0.188 nan 8.210 nan 0.000 0.408 316 Y N -0.542 119.793 120.300 0.058 0.000 2.242 316 Y HA -0.178 4.401 4.550 0.048 0.000 0.291 316 Y C 2.469 178.437 175.900 0.114 0.000 1.137 316 Y CA 1.249 59.361 58.100 0.020 0.000 1.181 316 Y CB -0.685 37.812 38.460 0.061 0.000 0.989 316 Y HN -0.020 nan 8.280 nan 0.000 0.527 317 V N -0.453 119.649 119.914 0.314 0.000 2.591 317 V HA -0.119 4.030 4.120 0.048 0.000 0.249 317 V C 2.207 178.265 176.094 -0.060 0.000 1.053 317 V CA 1.389 63.759 62.300 0.117 0.000 1.068 317 V CB -0.695 31.144 31.823 0.028 0.000 0.689 317 V HN 0.365 nan 8.190 nan 0.000 0.462 318 A N 0.369 123.159 122.820 -0.050 0.000 1.851 318 A HA -0.116 4.232 4.320 0.048 0.000 0.216 318 A C 2.484 179.929 177.584 -0.232 0.000 1.195 318 A CA 2.399 54.279 52.037 -0.263 0.000 0.622 318 A CB -1.297 17.646 19.000 -0.095 0.000 0.831 318 A HN 0.818 nan 8.150 nan 0.000 0.444 319 A N -0.083 122.683 122.820 -0.091 0.000 1.869 319 A HA -0.019 4.329 4.320 0.048 0.000 0.218 319 A C 2.591 180.237 177.584 0.104 0.000 1.203 319 A CA 3.102 55.121 52.037 -0.030 0.000 0.638 319 A CB -1.394 17.539 19.000 -0.111 0.000 0.831 319 A HN 1.323 nan 8.150 nan 0.000 0.450 320 A N -0.490 122.470 122.820 0.233 0.000 1.917 320 A HA -0.155 4.193 4.320 0.048 0.000 0.219 320 A C 2.186 179.757 177.584 -0.021 0.000 1.182 320 A CA 1.813 53.926 52.037 0.128 0.000 0.633 320 A CB -0.679 18.360 19.000 0.064 0.000 0.819 320 A HN 0.552 nan 8.150 nan 0.000 0.448 321 I N -0.587 119.924 120.570 -0.099 0.000 2.163 321 I HA -0.235 3.964 4.170 0.048 0.000 0.240 321 I C 2.376 178.445 176.117 -0.080 0.000 1.081 321 I CA 1.158 62.397 61.300 -0.102 0.000 1.353 321 I CB -0.333 37.523 38.000 -0.241 0.000 1.054 321 I HN 0.283 nan 8.210 nan 0.000 0.407 322 L N -0.038 121.018 121.223 -0.279 0.000 2.083 322 L HA -0.232 4.137 4.340 0.048 0.000 0.209 322 L C 2.652 179.516 176.870 -0.009 0.000 1.083 322 L CA 1.239 55.925 54.840 -0.258 0.000 0.752 322 L CB -0.625 41.209 42.059 -0.375 0.000 0.899 322 L HN 0.356 nan 8.230 nan 0.000 0.433 323 Q N -0.019 119.792 119.800 0.019 0.000 2.124 323 Q HA -0.229 4.140 4.340 0.048 0.000 0.202 323 Q C 2.319 178.383 176.000 0.108 0.000 0.977 323 Q CA 1.746 57.591 55.803 0.070 0.000 0.850 323 Q CB -0.021 28.774 28.738 0.095 0.000 0.901 323 Q HN 0.563 nan 8.270 nan 0.000 0.429 324 A N -0.284 122.608 122.820 0.120 0.000 1.873 324 A HA -0.189 4.160 4.320 0.048 0.000 0.215 324 A C 1.727 179.446 177.584 0.225 0.000 1.186 324 A CA 1.230 53.358 52.037 0.152 0.000 0.616 324 A CB -0.959 18.077 19.000 0.060 0.000 0.823 324 A HN 0.464 nan 8.150 nan 0.000 0.442 325 Y N 0.028 120.368 120.300 0.066 0.000 2.165 325 Y HA -0.197 4.382 4.550 0.047 0.000 0.286 325 Y C 2.502 178.481 175.900 0.132 0.000 1.155 325 Y CA 1.693 59.852 58.100 0.098 0.000 1.164 325 Y CB -0.338 38.206 38.460 0.141 0.000 0.978 325 Y HN 0.444 nan 8.280 nan 0.000 0.513 326 E N -0.157 120.194 120.200 0.252 0.000 2.038 326 E HA -0.239 4.139 4.350 0.048 0.000 0.195 326 E C 2.356 179.032 176.600 0.126 0.000 1.000 326 E CA 1.846 58.340 56.400 0.158 0.000 0.803 326 E CB -0.167 29.596 29.700 0.104 0.000 0.750 326 E HN 0.513 nan 8.360 nan 0.000 0.448 327 S N -0.307 115.467 115.700 0.124 0.000 2.447 327 S HA -0.143 4.355 4.470 0.048 0.000 0.233 327 S C 1.504 176.076 174.600 -0.047 0.000 1.006 327 S CA 0.892 59.109 58.200 0.029 0.000 0.957 327 S CB -0.407 62.790 63.200 -0.006 0.000 0.773 327 S HN 0.383 nan 8.310 nan 0.000 0.507 328 H N 0.760 119.831 119.070 0.001 0.000 2.539 328 H HA 0.260 4.845 4.556 0.047 0.000 0.269 328 H C 0.397 175.727 175.328 0.003 0.000 0.980 328 H CA 0.194 56.231 56.048 -0.018 0.000 1.152 328 H CB -0.299 29.421 29.762 -0.070 0.000 1.407 328 H HN 0.467 nan 8.280 nan 0.000 0.564 329 N N 0.865 119.640 118.700 0.124 0.000 2.714 329 N HA -0.181 4.588 4.740 0.048 0.000 0.252 329 N C -1.286 174.289 175.510 0.109 0.000 1.014 329 N CA 0.208 53.317 53.050 0.099 0.000 0.735 329 N CB -0.686 37.836 38.487 0.058 0.000 0.924 329 N HN -0.004 nan 8.380 nan 0.000 0.540 330 V N 0.883 120.887 119.914 0.149 0.000 2.513 330 V HA 0.592 4.741 4.120 0.048 0.000 0.299 330 V C -1.693 174.547 176.094 0.243 0.000 1.035 330 V CA -1.287 61.108 62.300 0.159 0.000 0.889 330 V CB 1.730 33.614 31.823 0.100 0.000 0.988 330 V HN 0.112 nan 8.190 nan 0.000 0.440 331 P HA 0.255 nan 4.420 nan 0.000 0.282 331 P C -1.523 175.885 177.300 0.180 0.000 1.249 331 P CA -0.365 62.839 63.100 0.173 0.000 0.806 331 P CB 0.704 32.463 31.700 0.098 0.000 0.984 332 Y N 1.499 121.799 120.300 0.001 0.000 2.417 332 Y HA 0.195 4.773 4.550 0.048 0.000 0.336 332 Y C 1.592 177.456 175.900 -0.059 0.000 0.961 332 Y CA 0.115 58.114 58.100 -0.167 0.000 1.215 332 Y CB 1.124 39.349 38.460 -0.391 0.000 1.120 332 Y HN 0.406 nan 8.280 nan 0.000 0.499 333 T N 0.400 114.869 114.554 -0.142 0.000 3.009 333 T HA 0.303 4.682 4.350 0.048 0.000 0.258 333 T C 0.927 175.642 174.700 0.025 0.000 1.063 333 T CA 0.558 62.641 62.100 -0.030 0.000 1.139 333 T CB 0.077 68.907 68.868 -0.063 0.000 0.890 333 T HN 0.637 nan 8.240 nan 0.000 0.471 334 G N 0.712 109.517 108.800 0.008 0.000 2.887 334 G HA2 0.460 4.449 3.960 0.048 0.000 0.277 334 G HA3 0.460 4.449 3.960 0.048 0.000 0.277 334 G C -1.004 174.061 174.900 0.275 0.000 1.346 334 G CA -0.894 44.262 45.100 0.094 0.000 1.058 334 G HN 0.250 nan 8.290 nan 0.000 0.535 335 N N -0.293 118.536 118.700 0.215 0.000 2.497 335 N HA -0.008 4.760 4.740 0.048 0.000 0.268 335 N C 1.785 177.441 175.510 0.243 0.000 1.171 335 N CA -0.214 53.014 53.050 0.298 0.000 0.948 335 N CB 1.617 40.261 38.487 0.262 0.000 1.069 335 N HN 0.056 nan 8.380 nan 0.000 0.460 336 V N 4.389 124.376 119.914 0.122 0.000 2.370 336 V HA -0.278 3.870 4.120 0.048 0.000 0.252 336 V C 1.301 177.042 176.094 -0.588 0.000 1.068 336 V CA 1.835 63.859 62.300 -0.460 0.000 1.061 336 V CB -0.641 30.523 31.823 -1.099 0.000 0.656 336 V HN 0.614 nan 8.190 nan 0.000 0.455 337 F N -0.977 118.820 119.950 -0.255 0.000 2.776 337 F HA 0.120 4.676 4.527 0.048 0.000 0.300 337 F C 2.182 177.644 175.800 -0.564 0.000 1.116 337 F CA 0.521 58.182 58.000 -0.565 0.000 1.375 337 F CB -0.228 38.188 39.000 -0.973 0.000 1.109 337 F HN 0.139 nan 8.300 nan 0.000 0.585 338 Q N 0.603 120.323 119.800 -0.132 0.000 2.226 338 Q HA 0.004 4.373 4.340 0.048 0.000 0.199 338 Q C 2.010 178.025 176.000 0.026 0.000 0.945 338 Q CA 1.388 57.225 55.803 0.057 0.000 0.861 338 Q CB -0.464 28.380 28.738 0.177 0.000 0.953 338 Q HN 0.219 nan 8.270 nan 0.000 0.490 339 V N 0.517 120.438 119.914 0.011 0.000 2.379 339 V HA -0.082 4.067 4.120 0.048 0.000 0.245 339 V C 0.463 176.556 176.094 -0.001 0.000 1.044 339 V CA 1.474 63.771 62.300 -0.006 0.000 1.036 339 V CB -0.236 31.558 31.823 -0.048 0.000 0.664 339 V HN 0.272 nan 8.190 nan 0.000 0.453 340 E N -0.958 119.227 120.200 -0.024 0.000 2.243 340 E HA 0.461 4.840 4.350 0.048 0.000 0.260 340 E C -0.484 176.093 176.600 -0.037 0.000 0.985 340 E CA -0.295 56.092 56.400 -0.022 0.000 0.858 340 E CB 1.403 31.085 29.700 -0.031 0.000 1.210 340 E HN 0.093 nan 8.360 nan 0.000 0.411 341 T N 1.798 116.348 114.554 -0.005 0.000 2.772 341 T HA 0.462 4.841 4.350 0.048 0.000 0.288 341 T C -0.477 174.199 174.700 -0.040 0.000 0.994 341 T CA -0.649 61.427 62.100 -0.039 0.000 0.951 341 T CB 0.186 69.049 68.868 -0.009 0.000 0.933 341 T HN 0.185 nan 8.240 nan 0.000 0.447 342 I N 3.452 123.965 120.570 -0.095 0.000 2.493 342 I HA 0.427 4.626 4.170 0.048 0.000 0.298 342 I C -0.043 175.860 176.117 -0.357 0.000 0.998 342 I CA -0.829 60.470 61.300 -0.001 0.000 1.137 342 I CB 1.554 39.686 38.000 0.221 0.000 1.310 342 I HN 0.601 nan 8.210 nan 0.000 0.445 343 H N 3.376 122.439 119.070 -0.012 0.000 2.744 343 H HA 0.470 5.054 4.556 0.048 0.000 0.339 343 H C -0.362 174.886 175.328 -0.133 0.000 1.004 343 H CA -0.388 55.551 56.048 -0.181 0.000 1.257 343 H CB 2.321 31.779 29.762 -0.508 0.000 1.552 343 H HN 0.664 nan 8.280 nan 0.000 0.522 344 T N 0.301 114.914 114.554 0.099 0.000 2.900 344 T HA 0.490 4.869 4.350 0.048 0.000 0.295 344 T C -1.118 173.776 174.700 0.324 0.000 1.044 344 T CA -0.857 61.301 62.100 0.096 0.000 0.995 344 T CB 2.227 70.922 68.868 -0.289 0.000 1.072 344 T HN 0.575 nan 8.240 nan 0.000 0.473 345 Y N 1.860 122.246 120.300 0.142 0.000 2.475 345 Y HA 0.478 5.057 4.550 0.047 0.000 0.343 345 Y C 1.010 176.843 175.900 -0.111 0.000 1.068 345 Y CA 0.326 58.439 58.100 0.021 0.000 1.307 345 Y CB 0.432 38.838 38.460 -0.091 0.000 1.097 345 Y HN 1.411 nan 8.280 nan 0.000 0.530 346 G N 2.865 111.653 108.800 -0.019 0.000 2.660 346 G HA2 -0.437 3.551 3.960 0.048 0.000 0.321 346 G HA3 -0.437 3.551 3.960 0.048 0.000 0.321 346 G C 1.278 175.710 174.900 -0.781 0.000 1.246 346 G CA 0.423 45.377 45.100 -0.242 0.000 1.000 346 G HN 1.248 nan 8.290 nan 0.000 0.550 347 G N 0.318 108.385 108.800 -1.221 0.000 2.744 347 G HA2 0.297 4.285 3.960 0.048 0.000 0.211 347 G HA3 0.297 4.285 3.960 0.048 0.000 0.211 347 G C 0.424 175.195 174.900 -0.215 0.000 1.143 347 G CA 1.318 45.727 45.100 -1.152 0.000 0.788 347 G HN 0.806 nan 8.290 nan 0.000 0.534 348 D N 0.198 120.536 120.400 -0.104 0.000 2.198 348 D HA 0.471 5.139 4.640 0.048 0.000 0.245 348 D C 0.045 176.451 176.300 0.176 0.000 1.079 348 D CA -0.633 53.386 54.000 0.031 0.000 0.854 348 D CB 1.065 41.800 40.800 -0.110 0.000 1.148 348 D HN 0.230 nan 8.370 nan 0.000 0.456 349 C N 1.933 121.357 119.300 0.207 0.000 3.285 349 C HA 0.789 5.278 4.460 0.048 0.000 0.325 349 C C -1.038 173.933 174.990 -0.032 0.000 1.304 349 C CA -1.014 58.053 59.018 0.081 0.000 1.319 349 C CB 0.447 28.061 27.740 -0.211 0.000 1.640 349 C HN 0.585 nan 8.230 nan 0.000 0.477 350 M N 2.095 121.619 119.600 -0.126 0.000 2.327 350 M HA 0.538 5.047 4.480 0.048 0.000 0.298 350 M C -1.804 174.494 176.300 -0.002 0.000 1.065 350 M CA -0.148 55.074 55.300 -0.131 0.000 0.916 350 M CB 2.145 34.660 32.600 -0.143 0.000 1.630 350 M HN 0.767 nan 8.290 nan 0.000 0.442 351 Y N 0.520 120.892 120.300 0.120 0.000 2.328 351 Y HA 0.451 5.029 4.550 0.048 0.000 0.336 351 Y C 0.149 176.097 175.900 0.081 0.000 0.960 351 Y CA -1.444 56.726 58.100 0.117 0.000 1.134 351 Y CB 1.944 40.528 38.460 0.206 0.000 1.166 351 Y HN 0.501 nan 8.280 nan 0.000 0.464 352 S N 3.924 119.738 115.700 0.191 0.000 2.512 352 S HA 0.503 5.002 4.470 0.048 0.000 0.291 352 S C -0.430 174.220 174.600 0.083 0.000 1.151 352 S CA -0.666 57.592 58.200 0.097 0.000 1.120 352 S CB -0.840 62.398 63.200 0.063 0.000 1.029 352 S HN 0.517 nan 8.310 nan 0.000 0.485 353 V N 3.133 123.095 119.914 0.082 0.000 2.904 353 V HA 0.626 4.775 4.120 0.048 0.000 0.305 353 V C 0.921 177.046 176.094 0.052 0.000 1.067 353 V CA -1.291 61.051 62.300 0.070 0.000 1.044 353 V CB 0.113 31.976 31.823 0.068 0.000 1.050 353 V HN 0.884 nan 8.190 nan 0.000 0.475 354 C N 1.766 121.104 119.300 0.063 0.000 2.656 354 C HA 0.480 4.969 4.460 0.048 0.000 0.391 354 C C -0.590 174.433 174.990 0.055 0.000 1.300 354 C CA -0.812 58.234 59.018 0.048 0.000 2.302 354 C CB 0.241 28.003 27.740 0.037 0.000 2.655 354 C HN 0.809 nan 8.230 nan 0.000 0.656 355 P HA -0.165 nan 4.420 nan 0.000 0.216 355 P C 1.784 179.106 177.300 0.037 0.000 1.154 355 P CA 3.244 66.361 63.100 0.029 0.000 0.865 355 P CB -0.134 31.575 31.700 0.015 0.000 0.789 356 A N -1.340 121.507 122.820 0.045 0.000 1.898 356 A HA -0.169 4.179 4.320 0.048 0.000 0.216 356 A C 2.250 179.857 177.584 0.038 0.000 1.181 356 A CA 2.384 54.439 52.037 0.030 0.000 0.620 356 A CB -1.758 17.278 19.000 0.061 0.000 0.819 356 A HN 0.164 nan 8.150 nan 0.000 0.442 357 T N 0.336 114.993 114.554 0.172 0.000 2.737 357 T HA 0.016 4.395 4.350 0.048 0.000 0.265 357 T C 2.258 177.089 174.700 0.218 0.000 1.038 357 T CA 1.490 63.742 62.100 0.255 0.000 1.144 357 T CB -0.533 68.546 68.868 0.353 0.000 0.866 357 T HN 0.602 nan 8.240 nan 0.000 0.434 358 A N 2.116 125.027 122.820 0.151 0.000 1.958 358 A HA -0.197 4.152 4.320 0.048 0.000 0.221 358 A C 2.552 180.226 177.584 0.150 0.000 1.178 358 A CA 2.498 54.615 52.037 0.133 0.000 0.642 358 A CB -1.050 17.997 19.000 0.078 0.000 0.816 358 A HN 0.641 nan 8.150 nan 0.000 0.453 359 S N 0.059 115.804 115.700 0.074 0.000 2.447 359 S HA -0.036 4.463 4.470 0.048 0.000 0.233 359 S C 1.312 175.923 174.600 0.018 0.000 1.006 359 S CA 1.080 59.300 58.200 0.035 0.000 0.957 359 S CB -0.670 62.521 63.200 -0.014 0.000 0.773 359 S HN 1.003 nan 8.310 nan 0.000 0.507 360 I N -3.710 116.855 120.570 -0.008 0.000 3.816 360 I HA 0.506 4.705 4.170 0.048 0.000 0.334 360 I C 1.034 177.188 176.117 0.061 0.000 1.551 360 I CA -0.632 60.626 61.300 -0.069 0.000 1.153 360 I CB -0.293 37.464 38.000 -0.405 0.000 1.197 360 I HN -0.056 nan 8.210 nan 0.000 0.439 361 F N 1.946 121.888 119.950 -0.013 0.000 2.234 361 F HA -0.129 4.426 4.527 0.047 0.000 0.299 361 F C 2.383 178.161 175.800 -0.036 0.000 1.087 361 F CA 1.749 59.717 58.000 -0.053 0.000 1.340 361 F CB -0.309 38.622 39.000 -0.116 0.000 1.031 361 F HN 0.332 nan 8.300 nan 0.000 0.500 362 H N -1.390 117.688 119.070 0.014 0.000 2.352 362 H HA -0.185 4.400 4.556 0.048 0.000 0.299 362 H C 2.456 177.714 175.328 -0.117 0.000 1.097 362 H CA 2.303 58.326 56.048 -0.042 0.000 1.311 362 H CB -0.307 29.464 29.762 0.016 0.000 1.377 362 H HN 0.193 nan 8.280 nan 0.000 0.504 363 T N -1.279 113.292 114.554 0.027 0.000 2.951 363 T HA -0.072 4.307 4.350 0.048 0.000 0.268 363 T C 2.041 176.635 174.700 -0.177 0.000 1.073 363 T CA 0.997 63.080 62.100 -0.029 0.000 1.134 363 T CB -0.483 68.454 68.868 0.115 0.000 0.884 363 T HN 0.175 nan 8.240 nan 0.000 0.479 364 V N 1.496 121.223 119.914 -0.312 0.000 2.295 364 V HA -0.084 4.064 4.120 0.048 0.000 0.246 364 V C 2.630 178.428 176.094 -0.492 0.000 1.049 364 V CA 1.641 63.673 62.300 -0.448 0.000 1.024 364 V CB -0.596 30.796 31.823 -0.719 0.000 0.648 364 V HN 0.472 nan 8.190 nan 0.000 0.447 365 L N 0.100 120.957 121.223 -0.611 0.000 2.083 365 L HA -0.167 4.201 4.340 0.048 0.000 0.209 365 L C 2.666 179.328 176.870 -0.348 0.000 1.083 365 L CA 1.567 56.137 54.840 -0.449 0.000 0.752 365 L CB -0.743 41.055 42.059 -0.435 0.000 0.899 365 L HN 0.371 nan 8.230 nan 0.000 0.433 366 A N -0.040 122.576 122.820 -0.341 0.000 1.929 366 A HA -0.162 4.186 4.320 0.048 0.000 0.216 366 A C 2.046 179.449 177.584 -0.303 0.000 1.176 366 A CA 1.426 53.299 52.037 -0.272 0.000 0.628 366 A CB -0.441 18.443 19.000 -0.194 0.000 0.816 366 A HN 0.420 nan 8.150 nan 0.000 0.444 367 N N 0.398 118.891 118.700 -0.345 0.000 2.120 367 N HA -0.116 4.652 4.740 0.048 0.000 0.188 367 N C 1.685 176.614 175.510 -0.969 0.000 1.024 367 N CA 1.402 54.119 53.050 -0.555 0.000 0.852 367 N CB -0.515 37.736 38.487 -0.394 0.000 1.003 367 N HN 0.500 nan 8.380 nan 0.000 0.424 368 L N 0.365 121.253 121.223 -0.557 0.000 2.017 368 L HA -0.163 4.205 4.340 0.048 0.000 0.208 368 L C 2.625 179.336 176.870 -0.265 0.000 1.073 368 L CA 1.597 56.247 54.840 -0.316 0.000 0.745 368 L CB -0.831 41.208 42.059 -0.034 0.000 0.894 368 L HN 0.256 nan 8.230 nan 0.000 0.432 369 T N -1.892 112.520 114.554 -0.237 0.000 2.915 369 T HA -0.147 4.231 4.350 0.048 0.000 0.269 369 T C 2.095 176.686 174.700 -0.182 0.000 1.071 369 T CA 1.386 63.385 62.100 -0.169 0.000 1.132 369 T CB -0.196 68.585 68.868 -0.145 0.000 0.878 369 T HN 0.466 nan 8.240 nan 0.000 0.479 370 S N -0.200 115.333 115.700 -0.279 0.000 2.447 370 S HA -0.073 4.425 4.470 0.048 0.000 0.233 370 S C 1.617 176.148 174.600 -0.115 0.000 1.006 370 S CA 0.567 58.634 58.200 -0.221 0.000 0.957 370 S CB -0.795 62.253 63.200 -0.254 0.000 0.773 370 S HN 0.652 nan 8.310 nan 0.000 0.507 371 Y N 1.741 122.011 120.300 -0.051 0.000 2.516 371 Y HA 0.366 4.944 4.550 0.047 0.000 0.291 371 Y C 2.225 178.072 175.900 -0.088 0.000 1.131 371 Y CA -0.404 57.672 58.100 -0.039 0.000 1.281 371 Y CB -0.840 37.617 38.460 -0.004 0.000 1.013 371 Y HN 0.475 nan 8.280 nan 0.000 0.554 372 G N -0.644 108.155 108.800 -0.002 0.000 2.175 372 G HA2 -0.196 3.792 3.960 0.048 0.000 0.182 372 G HA3 -0.196 3.792 3.960 0.048 0.000 0.182 372 G C -0.098 174.730 174.900 -0.120 0.000 1.003 372 G CA -0.257 44.807 45.100 -0.060 0.000 0.666 372 G HN 0.189 nan 8.290 nan 0.000 0.506 373 L N 0.159 121.299 121.223 -0.138 0.000 2.418 373 L HA 0.555 4.923 4.340 0.048 0.000 0.265 373 L C 0.529 177.411 176.870 0.019 0.000 1.143 373 L CA -0.386 54.397 54.840 -0.095 0.000 0.809 373 L CB 0.873 42.889 42.059 -0.071 0.000 1.124 373 L HN 0.007 nan 8.230 nan 0.000 0.456 374 K N 2.683 123.149 120.400 0.110 0.000 2.478 374 K HA 0.344 4.693 4.320 0.048 0.000 0.236 374 K C -2.509 174.058 176.600 -0.054 0.000 1.021 374 K CA -1.695 54.612 56.287 0.034 0.000 1.010 374 K CB 0.861 33.372 32.500 0.019 0.000 1.331 374 K HN 0.213 nan 8.250 nan 0.000 0.470 375 P HA 0.063 nan 4.420 nan 0.000 0.271 375 P C -0.740 176.355 177.300 -0.341 0.000 1.216 375 P CA -0.279 62.391 63.100 -0.715 0.000 0.776 375 P CB 0.960 32.357 31.700 -0.505 0.000 0.881 376 T N 1.754 116.126 114.554 -0.304 0.000 3.066 376 T HA 0.564 4.943 4.350 0.048 0.000 0.318 376 T C 0.200 174.847 174.700 -0.088 0.000 0.979 376 T CA -0.095 61.926 62.100 -0.130 0.000 1.025 376 T CB 1.318 70.146 68.868 -0.066 0.000 1.002 376 T HN 0.372 nan 8.240 nan 0.000 0.453 377 A N 3.548 126.342 122.820 -0.043 0.000 1.807 377 A HA 0.896 5.245 4.320 0.048 0.000 0.178 377 A C -0.485 177.110 177.584 0.017 0.000 2.008 377 A CA 0.034 52.053 52.037 -0.031 0.000 1.178 377 A CB 0.180 19.174 19.000 -0.010 0.000 0.966 377 A HN 0.641 nan 8.150 nan 0.000 0.653 378 I N -1.583 119.032 120.570 0.074 0.000 2.842 378 I HA 0.647 4.845 4.170 0.048 0.000 0.297 378 I C -1.884 174.344 176.117 0.186 0.000 1.380 378 I CA -0.369 61.018 61.300 0.145 0.000 1.018 378 I CB 2.183 40.246 38.000 0.106 0.000 1.311 378 I HN 0.553 nan 8.210 nan 0.000 0.439 379 K N 4.277 124.859 120.400 0.303 0.000 4.626 379 K HA 0.005 4.353 4.320 0.048 0.000 0.765 379 K C -2.792 173.781 176.600 -0.045 0.000 2.276 379 K CA -0.020 56.378 56.287 0.185 0.000 1.754 379 K CB -0.682 31.865 32.500 0.079 0.000 3.096 379 K HN 0.452 nan 8.250 nan 0.000 0.130 380 P HA 0.087 nan 4.420 nan 0.000 0.268 380 P C -0.641 176.462 177.300 -0.328 0.000 1.208 380 P CA -0.241 62.441 63.100 -0.697 0.000 0.777 380 P CB 0.935 32.302 31.700 -0.555 0.000 0.875 381 T N 0.708 115.079 114.554 -0.306 0.000 2.901 381 T HA 0.339 4.717 4.350 0.048 0.000 0.293 381 T C 0.544 175.159 174.700 -0.141 0.000 1.084 381 T CA -0.640 61.360 62.100 -0.166 0.000 1.008 381 T CB 0.653 69.448 68.868 -0.120 0.000 1.170 381 T HN 0.183 nan 8.240 nan 0.000 0.509 382 N N 0.762 119.408 118.700 -0.091 0.000 2.220 382 N HA 0.131 4.900 4.740 0.048 0.000 0.195 382 N C -0.394 175.085 175.510 -0.052 0.000 1.123 382 N CA 0.198 53.207 53.050 -0.069 0.000 0.874 382 N CB 0.816 39.275 38.487 -0.047 0.000 0.995 382 N HN 0.541 nan 8.380 nan 0.000 0.498 383 T N 2.899 117.422 114.554 -0.052 0.000 2.781 383 T HA 0.357 4.735 4.350 0.048 0.000 0.305 383 T C -2.636 172.016 174.700 -0.080 0.000 1.001 383 T CA -1.446 60.633 62.100 -0.034 0.000 0.950 383 T CB 1.792 70.657 68.868 -0.005 0.000 0.955 383 T HN -0.053 nan 8.240 nan 0.000 0.471 384 P HA 0.348 nan 4.420 nan 0.000 0.271 384 P C -0.921 176.216 177.300 -0.272 0.000 1.216 384 P CA -0.409 62.486 63.100 -0.342 0.000 0.771 384 P CB 0.649 31.918 31.700 -0.719 0.000 0.864 385 V N 4.675 124.481 119.914 -0.180 0.000 2.577 385 V HA 0.584 4.733 4.120 0.048 0.000 0.303 385 V C -0.893 175.262 176.094 0.102 0.000 1.042 385 V CA -0.361 61.943 62.300 0.007 0.000 0.872 385 V CB 1.413 33.255 31.823 0.031 0.000 0.998 385 V HN 0.420 nan 8.190 nan 0.000 0.423 386 F N 4.841 124.800 119.950 0.015 0.000 2.604 386 F HA 0.624 5.180 4.527 0.049 0.000 0.316 386 F C 0.103 175.952 175.800 0.082 0.000 1.136 386 F CA -1.028 56.995 58.000 0.039 0.000 0.989 386 F CB 1.656 40.686 39.000 0.050 0.000 1.258 386 F HN 0.390 nan 8.300 nan 0.000 0.451 387 L N 6.615 127.491 121.223 -0.577 0.000 3.737 387 L HA -0.372 3.996 4.340 0.048 0.000 0.418 387 L C 0.662 177.404 176.870 -0.213 0.000 1.216 387 L CA 0.844 55.379 54.840 -0.509 0.000 0.915 387 L CB -0.944 40.763 42.059 -0.587 0.000 1.834 387 L HN 0.822 nan 8.230 nan 0.000 0.943 388 K N -2.617 117.711 120.400 -0.120 0.000 3.500 388 K HA -0.154 4.195 4.320 0.048 0.000 0.313 388 K C 0.226 176.836 176.600 0.017 0.000 1.338 388 K CA 1.212 57.469 56.287 -0.049 0.000 0.963 388 K CB -0.803 31.648 32.500 -0.081 0.000 1.267 388 K HN 0.450 nan 8.250 nan 0.000 0.448 389 R N 0.983 121.531 120.500 0.079 0.000 2.407 389 R HA 0.339 4.707 4.340 0.048 0.000 0.303 389 R C 0.068 176.520 176.300 0.253 0.000 0.981 389 R CA -0.327 55.867 56.100 0.156 0.000 0.905 389 R CB 0.897 31.311 30.300 0.190 0.000 1.099 389 R HN -0.094 nan 8.270 nan 0.000 0.459 390 T N 3.902 118.586 114.554 0.217 0.000 2.744 390 T HA 0.362 4.741 4.350 0.048 0.000 0.291 390 T C 0.284 175.186 174.700 0.335 0.000 0.957 390 T CA -0.379 61.865 62.100 0.240 0.000 1.002 390 T CB 0.216 69.166 68.868 0.136 0.000 0.919 390 T HN 0.266 nan 8.240 nan 0.000 0.468 391 F N 2.812 122.788 119.950 0.043 0.000 2.533 391 F HA 0.233 4.788 4.527 0.047 0.000 0.378 391 F C 1.249 177.055 175.800 0.011 0.000 1.070 391 F CA -0.352 57.669 58.000 0.035 0.000 1.172 391 F CB 0.353 39.377 39.000 0.039 0.000 1.085 391 F HN 0.390 nan 8.300 nan 0.000 0.552 392 T N 3.356 117.983 114.554 0.121 0.000 2.893 392 T HA 0.196 4.575 4.350 0.048 0.000 0.293 392 T C -0.555 174.148 174.700 0.006 0.000 1.027 392 T CA -0.914 61.215 62.100 0.049 0.000 0.988 392 T CB 1.722 70.591 68.868 0.001 0.000 1.043 392 T HN 0.419 nan 8.240 nan 0.000 0.461 393 Q N 1.855 121.660 119.800 0.008 0.000 2.337 393 Q HA 0.448 4.816 4.340 0.048 0.000 0.270 393 Q C 0.510 176.485 176.000 -0.041 0.000 1.002 393 Q CA 0.014 55.808 55.803 -0.014 0.000 0.888 393 Q CB 0.608 29.343 28.738 -0.005 0.000 1.222 393 Q HN 0.789 nan 8.270 nan 0.000 0.400 394 T N -1.401 113.117 114.554 -0.060 0.000 2.887 394 T HA 0.461 4.840 4.350 0.048 0.000 0.292 394 T C -2.216 172.433 174.700 -0.086 0.000 1.087 394 T CA -1.966 60.093 62.100 -0.068 0.000 1.009 394 T CB 1.294 70.110 68.868 -0.087 0.000 1.203 394 T HN 0.244 nan 8.240 nan 0.000 0.518 395 P HA 0.045 nan 4.420 nan 0.000 0.228 395 P C 0.628 177.648 177.300 -0.467 0.000 1.151 395 P CA 0.880 63.831 63.100 -0.248 0.000 0.770 395 P CB -0.061 31.486 31.700 -0.255 0.000 0.786 396 H N -1.521 117.499 119.070 -0.084 0.000 2.674 396 H HA 0.475 5.060 4.556 0.048 0.000 0.274 396 H C 1.044 176.305 175.328 -0.112 0.000 1.121 396 H CA 0.623 56.614 56.048 -0.094 0.000 1.132 396 H CB 0.665 30.357 29.762 -0.116 0.000 1.606 396 H HN 0.099 nan 8.280 nan 0.000 0.558 397 G N 1.560 110.331 108.800 -0.049 0.000 2.392 397 G HA2 -0.122 3.867 3.960 0.048 0.000 0.677 397 G HA3 -0.122 3.867 3.960 0.048 0.000 0.677 397 G C -0.549 174.304 174.900 -0.080 0.000 1.334 397 G CA -0.530 44.541 45.100 -0.048 0.000 0.961 397 G HN 0.173 nan 8.290 nan 0.000 0.616 398 I N -0.293 120.253 120.570 -0.039 0.000 2.634 398 I HA 0.730 4.929 4.170 0.048 0.000 0.284 398 I C -0.133 175.923 176.117 -0.101 0.000 1.124 398 I CA -0.150 61.124 61.300 -0.045 0.000 1.417 398 I CB 0.807 38.820 38.000 0.021 0.000 1.396 398 I HN 0.688 nan 8.210 nan 0.000 0.571 399 R N 4.857 125.280 120.500 -0.128 0.000 2.867 399 R HA 0.734 5.103 4.340 0.048 0.000 0.268 399 R C -1.084 175.115 176.300 -0.168 0.000 1.014 399 R CA -0.934 55.079 56.100 -0.145 0.000 0.946 399 R CB 1.754 31.935 30.300 -0.198 0.000 1.208 399 R HN 0.805 nan 8.270 nan 0.000 0.477 400 A N 2.543 125.277 122.820 -0.144 0.000 2.322 400 A HA 0.460 4.808 4.320 0.048 0.000 0.327 400 A C -0.217 177.385 177.584 0.030 0.000 1.394 400 A CA -0.553 51.400 52.037 -0.139 0.000 0.921 400 A CB 0.131 18.999 19.000 -0.220 0.000 1.153 400 A HN 0.468 nan 8.150 nan 0.000 0.523 401 L N 2.975 124.213 121.223 0.025 0.000 2.276 401 L HA 0.280 4.649 4.340 0.048 0.000 0.286 401 L C -0.107 176.822 176.870 0.098 0.000 1.061 401 L CA -0.845 53.985 54.840 -0.017 0.000 0.807 401 L CB 1.341 43.279 42.059 -0.202 0.000 1.177 401 L HN 0.640 nan 8.230 nan 0.000 0.429 402 L N 3.659 124.973 121.223 0.153 0.000 2.410 402 L HA 0.133 4.501 4.340 0.048 0.000 0.273 402 L C 0.043 177.021 176.870 0.180 0.000 1.152 402 L CA 0.101 54.999 54.840 0.097 0.000 0.855 402 L CB 0.247 42.272 42.059 -0.057 0.000 1.129 402 L HN 0.422 nan 8.230 nan 0.000 0.463 403 D N 4.525 124.971 120.400 0.078 0.000 2.525 403 D HA -0.054 4.614 4.640 0.048 0.000 0.235 403 D C 1.545 177.837 176.300 -0.012 0.000 1.137 403 D CA 0.504 54.538 54.000 0.057 0.000 0.868 403 D CB 0.645 41.445 40.800 0.000 0.000 1.180 403 D HN 0.513 nan 8.370 nan 0.000 0.465 404 I N 1.351 121.871 120.570 -0.082 0.000 2.264 404 I HA -0.323 3.876 4.170 0.048 0.000 0.248 404 I C 2.402 178.456 176.117 -0.105 0.000 1.111 404 I CA 1.471 62.649 61.300 -0.202 0.000 1.382 404 I CB -0.338 37.522 38.000 -0.232 0.000 1.060 404 I HN 0.487 nan 8.210 nan 0.000 0.418 405 T N -3.227 111.286 114.554 -0.067 0.000 2.951 405 T HA -0.060 4.318 4.350 0.048 0.000 0.268 405 T C 1.903 176.554 174.700 -0.082 0.000 1.073 405 T CA 1.223 63.291 62.100 -0.055 0.000 1.134 405 T CB -0.273 68.572 68.868 -0.040 0.000 0.884 405 T HN 0.164 nan 8.240 nan 0.000 0.479 406 S N 1.038 116.681 115.700 -0.095 0.000 2.428 406 S HA 0.187 4.686 4.470 0.048 0.000 0.230 406 S C 1.830 176.380 174.600 -0.083 0.000 1.014 406 S CA 0.567 58.700 58.200 -0.112 0.000 0.957 406 S CB -0.392 62.738 63.200 -0.117 0.000 0.784 406 S HN 0.501 nan 8.310 nan 0.000 0.499 407 I N 1.539 122.079 120.570 -0.050 0.000 2.235 407 I HA -0.146 4.053 4.170 0.048 0.000 0.241 407 I C 2.851 178.995 176.117 0.043 0.000 1.085 407 I CA 1.533 62.839 61.300 0.010 0.000 1.378 407 I CB -0.727 37.307 38.000 0.056 0.000 1.076 407 I HN 0.370 nan 8.210 nan 0.000 0.415 408 T N -0.274 114.274 114.554 -0.010 0.000 2.867 408 T HA -0.193 4.185 4.350 0.048 0.000 0.268 408 T C 1.958 176.485 174.700 -0.287 0.000 1.057 408 T CA 1.051 63.085 62.100 -0.110 0.000 1.136 408 T CB -0.548 68.202 68.868 -0.196 0.000 0.874 408 T HN 0.422 nan 8.240 nan 0.000 0.466 409 R N 1.402 121.847 120.500 -0.091 0.000 2.152 409 R HA -0.056 4.312 4.340 0.048 0.000 0.232 409 R C 2.248 178.593 176.300 0.074 0.000 1.117 409 R CA 1.353 57.498 56.100 0.075 0.000 0.981 409 R CB -0.641 29.740 30.300 0.136 0.000 0.870 409 R HN 0.451 nan 8.270 nan 0.000 0.451 410 Q N -0.255 119.503 119.800 -0.071 0.000 2.364 410 Q HA -0.082 4.286 4.340 0.048 0.000 0.209 410 Q C 1.069 176.902 176.000 -0.278 0.000 0.977 410 Q CA 1.210 56.922 55.803 -0.151 0.000 0.885 410 Q CB -0.011 28.562 28.738 -0.276 0.000 0.941 410 Q HN 0.406 nan 8.270 nan 0.000 0.464 411 F N -2.157 117.629 119.950 -0.274 0.000 2.530 411 F HA -0.001 4.555 4.527 0.047 0.000 0.292 411 F C 1.092 176.695 175.800 -0.327 0.000 1.109 411 F CA 0.376 58.186 58.000 -0.316 0.000 1.450 411 F CB 0.265 38.961 39.000 -0.506 0.000 1.114 411 F HN 0.044 nan 8.300 nan 0.000 0.560 412 Y N -2.550 117.669 120.300 -0.136 0.000 2.523 412 Y HA 0.098 4.676 4.550 0.047 0.000 0.279 412 Y C -0.383 175.267 175.900 -0.418 0.000 1.139 412 Y CA -0.826 57.040 58.100 -0.390 0.000 1.296 412 Y CB -0.769 37.335 38.460 -0.592 0.000 1.045 412 Y HN -0.129 nan 8.280 nan 0.000 0.538 413 W N 0.600 121.997 121.300 0.162 0.000 3.032 413 W HA 0.638 5.323 4.660 0.042 0.000 0.335 413 W C -1.196 175.395 176.519 0.120 0.000 1.154 413 W CA -1.282 56.170 57.345 0.177 0.000 1.204 413 W CB 1.564 31.140 29.460 0.194 0.000 1.416 413 W HN -0.348 nan 8.180 nan 0.000 0.521 414 L N 0.050 121.488 121.223 0.358 0.000 2.422 414 L HA 0.723 5.092 4.340 0.048 0.000 0.264 414 L C -0.848 176.020 176.870 -0.004 0.000 0.984 414 L CA -1.329 53.563 54.840 0.087 0.000 0.819 414 L CB 1.979 43.932 42.059 -0.177 0.000 1.330 414 L HN 0.321 nan 8.230 nan 0.000 0.410 415 K N 2.032 122.304 120.400 -0.214 0.000 2.258 415 K HA 0.787 5.136 4.320 0.048 0.000 0.284 415 K C -0.368 176.109 176.600 -0.205 0.000 1.051 415 K CA 0.358 56.378 56.287 -0.445 0.000 0.923 415 K CB 1.361 33.542 32.500 -0.532 0.000 1.046 415 K HN 0.902 nan 8.250 nan 0.000 0.474 416 A N 3.182 125.926 122.820 -0.126 0.000 3.972 416 A HA 0.297 4.646 4.320 0.048 0.000 0.166 416 A C -1.245 176.336 177.584 -0.004 0.000 0.722 416 A CA -0.648 51.349 52.037 -0.065 0.000 1.045 416 A CB 0.182 19.063 19.000 -0.197 0.000 1.949 416 A HN 0.829 nan 8.150 nan 0.000 0.853 417 N N 1.696 120.411 118.700 0.026 0.000 2.518 417 N HA 0.175 4.944 4.740 0.048 0.000 0.283 417 N C -0.610 175.003 175.510 0.172 0.000 1.119 417 N CA -0.434 52.666 53.050 0.084 0.000 0.983 417 N CB 0.767 39.292 38.487 0.064 0.000 1.139 417 N HN 0.498 nan 8.380 nan 0.000 0.465 418 R N 0.336 120.883 120.500 0.078 0.000 2.638 418 R HA 0.045 4.414 4.340 0.048 0.000 0.268 418 R C -0.067 176.264 176.300 0.053 0.000 1.006 418 R CA 0.698 56.821 56.100 0.038 0.000 1.088 418 R CB 0.162 30.473 30.300 0.017 0.000 0.950 418 R HN 0.780 nan 8.270 nan 0.000 0.419 419 T N -0.401 114.135 114.554 -0.029 0.000 2.840 419 T HA 0.143 4.522 4.350 0.048 0.000 0.317 419 T C 0.018 174.684 174.700 -0.056 0.000 1.401 419 T CA -0.453 61.631 62.100 -0.027 0.000 1.028 419 T CB 1.616 70.434 68.868 -0.085 0.000 1.317 419 T HN 0.393 nan 8.240 nan 0.000 0.495 420 S N 1.568 117.318 115.700 0.084 0.000 2.557 420 S HA 0.279 4.778 4.470 0.048 0.000 0.223 420 S C -0.477 174.313 174.600 0.318 0.000 0.969 420 S CA -0.161 58.223 58.200 0.307 0.000 0.927 420 S CB -0.044 63.319 63.200 0.271 0.000 0.806 420 S HN 0.621 nan 8.310 nan 0.000 0.489 421 D N 0.704 121.180 120.400 0.127 0.000 2.386 421 D HA 0.351 5.019 4.640 0.048 0.000 0.247 421 D C -2.417 173.877 176.300 -0.009 0.000 1.336 421 D CA -1.875 52.195 54.000 0.115 0.000 0.976 421 D CB 1.665 42.523 40.800 0.096 0.000 1.257 421 D HN -0.131 nan 8.370 nan 0.000 0.570 422 P HA -0.017 nan 4.420 nan 0.000 0.234 422 P C 0.726 178.083 177.300 0.095 0.000 1.167 422 P CA 0.587 63.688 63.100 0.002 0.000 0.763 422 P CB 0.230 32.072 31.700 0.237 0.000 0.835 423 S N -2.527 113.237 115.700 0.105 0.000 2.557 423 S HA 0.128 4.626 4.470 0.048 0.000 0.223 423 S C 0.758 175.431 174.600 0.122 0.000 0.969 423 S CA -0.447 57.820 58.200 0.112 0.000 0.927 423 S CB -0.872 62.380 63.200 0.088 0.000 0.806 423 S HN 0.114 nan 8.310 nan 0.000 0.489 424 S N 2.119 117.903 115.700 0.139 0.000 2.565 424 S HA 0.481 4.979 4.470 0.048 0.000 0.276 424 S C -2.847 171.918 174.600 0.276 0.000 1.326 424 S CA -1.267 57.038 58.200 0.175 0.000 1.045 424 S CB -0.051 63.249 63.200 0.167 0.000 0.918 424 S HN 0.079 nan 8.310 nan 0.000 0.505 425 P HA 0.181 nan 4.420 nan 0.000 0.264 425 P C -2.414 174.969 177.300 0.138 0.000 1.179 425 P CA -0.548 62.649 63.100 0.161 0.000 0.763 425 P CB -0.457 31.308 31.700 0.110 0.000 0.806 426 P HA 0.373 nan 4.420 nan 0.000 0.284 426 P C -1.268 176.067 177.300 0.058 0.000 1.258 426 P CA -0.598 62.342 63.100 -0.267 0.000 0.824 426 P CB 0.961 32.452 31.700 -0.349 0.000 1.038 427 A N 3.003 125.823 122.820 0.000 0.000 2.273 427 A HA 0.792 5.141 4.320 0.048 0.000 0.315 427 A C -0.812 176.863 177.584 0.152 0.000 1.256 427 A CA -0.447 51.630 52.037 0.066 0.000 0.851 427 A CB -0.356 18.649 19.000 0.009 0.000 1.172 427 A HN 0.578 nan 8.150 nan 0.000 0.508 428 F N 0.814 120.716 119.950 -0.080 0.000 2.693 428 F HA 0.611 5.166 4.527 0.046 0.000 0.309 428 F C -1.003 174.775 175.800 -0.037 0.000 1.129 428 F CA -1.318 56.643 58.000 -0.064 0.000 0.948 428 F CB 1.185 40.141 39.000 -0.073 0.000 1.315 428 F HN 0.481 nan 8.300 nan 0.000 0.447 429 D N 1.246 121.628 120.400 -0.030 0.000 2.256 429 D HA 0.270 4.938 4.640 0.048 0.000 0.250 429 D C 0.418 176.710 176.300 -0.014 0.000 1.093 429 D CA -0.514 53.417 54.000 -0.115 0.000 0.882 429 D CB 1.994 42.771 40.800 -0.039 0.000 1.185 429 D HN 0.648 nan 8.370 nan 0.000 0.437 430 R N 0.927 121.360 120.500 -0.111 0.000 2.115 430 R HA -0.053 4.315 4.340 0.048 0.000 0.226 430 R C 2.244 178.592 176.300 0.080 0.000 1.100 430 R CA 1.226 57.340 56.100 0.023 0.000 0.980 430 R CB -0.275 29.999 30.300 -0.043 0.000 0.875 430 R HN 0.586 nan 8.270 nan 0.000 0.445 431 Q N -0.605 119.219 119.800 0.041 0.000 2.030 431 Q HA -0.127 4.242 4.340 0.048 0.000 0.204 431 Q C 2.090 178.130 176.000 0.067 0.000 0.986 431 Q CA 1.855 57.686 55.803 0.047 0.000 0.843 431 Q CB -0.237 28.517 28.738 0.027 0.000 0.904 431 Q HN 0.393 nan 8.270 nan 0.000 0.420 432 A N 0.949 123.812 122.820 0.071 0.000 1.930 432 A HA -0.202 4.147 4.320 0.048 0.000 0.217 432 A C 2.026 179.658 177.584 0.081 0.000 1.175 432 A CA 1.610 53.688 52.037 0.069 0.000 0.627 432 A CB -0.402 18.634 19.000 0.060 0.000 0.815 432 A HN 0.154 nan 8.150 nan 0.000 0.443 433 R N 0.223 120.799 120.500 0.127 0.000 2.075 433 R HA -0.029 4.339 4.340 0.048 0.000 0.232 433 R C 2.253 178.605 176.300 0.087 0.000 1.126 433 R CA 2.219 58.387 56.100 0.115 0.000 0.963 433 R CB -0.906 29.533 30.300 0.232 0.000 0.858 433 R HN 0.372 nan 8.270 nan 0.000 0.435 434 S N 0.108 115.876 115.700 0.113 0.000 2.356 434 S HA -0.086 4.413 4.470 0.048 0.000 0.223 434 S C 1.920 176.577 174.600 0.095 0.000 1.032 434 S CA 1.166 59.430 58.200 0.107 0.000 1.005 434 S CB -0.475 62.787 63.200 0.104 0.000 0.867 434 S HN 0.569 nan 8.310 nan 0.000 0.449 435 A N 1.195 124.067 122.820 0.087 0.000 1.908 435 A HA -0.231 4.117 4.320 0.048 0.000 0.218 435 A C 2.092 179.732 177.584 0.094 0.000 1.181 435 A CA 1.852 53.945 52.037 0.093 0.000 0.627 435 A CB -0.746 18.300 19.000 0.077 0.000 0.818 435 A HN 0.583 nan 8.150 nan 0.000 0.445 436 Q N -0.381 119.453 119.800 0.056 0.000 2.050 436 Q HA -0.146 4.223 4.340 0.048 0.000 0.202 436 Q C 1.954 177.953 176.000 -0.001 0.000 0.980 436 Q CA 1.723 57.540 55.803 0.023 0.000 0.840 436 Q CB -0.193 28.530 28.738 -0.025 0.000 0.898 436 Q HN 0.713 nan 8.270 nan 0.000 0.424 437 L N 0.503 121.709 121.223 -0.028 0.000 2.313 437 L HA -0.074 4.295 4.340 0.048 0.000 0.214 437 L C 2.252 179.206 176.870 0.139 0.000 1.119 437 L CA 0.386 55.181 54.840 -0.076 0.000 0.809 437 L CB -0.344 41.654 42.059 -0.101 0.000 0.933 437 L HN 0.163 nan 8.230 nan 0.000 0.449 438 E N 0.527 120.824 120.200 0.162 0.000 2.106 438 E HA -0.158 4.221 4.350 0.048 0.000 0.192 438 E C 1.649 178.398 176.600 0.250 0.000 0.984 438 E CA 0.912 57.431 56.400 0.197 0.000 0.806 438 E CB -0.310 29.486 29.700 0.161 0.000 0.750 438 E HN 0.528 nan 8.360 nan 0.000 0.458 439 N N 1.498 120.379 118.700 0.301 0.000 2.120 439 N HA -0.109 4.659 4.740 0.048 0.000 0.188 439 N C 1.881 177.715 175.510 0.539 0.000 1.024 439 N CA 1.434 54.783 53.050 0.499 0.000 0.852 439 N CB -0.520 38.240 38.487 0.455 0.000 1.003 439 N HN 0.169 nan 8.380 nan 0.000 0.424 440 A N 1.512 124.560 122.820 0.381 0.000 1.892 440 A HA -0.121 4.228 4.320 0.048 0.000 0.218 440 A C 2.405 180.245 177.584 0.427 0.000 1.188 440 A CA 1.187 53.442 52.037 0.364 0.000 0.631 440 A CB -0.935 18.108 19.000 0.072 0.000 0.822 440 A HN 0.233 nan 8.150 nan 0.000 0.447 441 L N -0.883 120.576 121.223 0.393 0.000 2.046 441 L HA -0.219 4.150 4.340 0.048 0.000 0.208 441 L C 3.124 180.244 176.870 0.417 0.000 1.077 441 L CA 1.115 56.195 54.840 0.400 0.000 0.747 441 L CB -0.559 41.723 42.059 0.371 0.000 0.896 441 L HN 0.454 nan 8.230 nan 0.000 0.432 442 A N -0.682 122.278 122.820 0.233 0.000 1.908 442 A HA -0.256 4.092 4.320 0.048 0.000 0.218 442 A C 2.068 179.714 177.584 0.104 0.000 1.181 442 A CA 1.620 53.655 52.037 -0.003 0.000 0.627 442 A CB -0.940 17.791 19.000 -0.447 0.000 0.818 442 A HN 0.394 nan 8.150 nan 0.000 0.445 443 Y N -0.222 120.292 120.300 0.356 0.000 2.145 443 Y HA -0.137 4.442 4.550 0.048 0.000 0.286 443 Y C 2.958 179.015 175.900 0.261 0.000 1.145 443 Y CA 1.086 59.376 58.100 0.316 0.000 1.148 443 Y CB -0.397 38.275 38.460 0.354 0.000 0.981 443 Y HN 0.340 nan 8.280 nan 0.000 0.507 444 A N -0.044 123.055 122.820 0.465 0.000 1.986 444 A HA -0.274 4.074 4.320 0.048 0.000 0.220 444 A C 2.392 180.296 177.584 0.533 0.000 1.171 444 A CA 2.103 54.399 52.037 0.431 0.000 0.640 444 A CB -1.189 17.964 19.000 0.255 0.000 0.811 444 A HN 0.538 nan 8.150 nan 0.000 0.451 445 S N -0.890 115.097 115.700 0.477 0.000 2.419 445 S HA -0.207 4.292 4.470 0.048 0.000 0.235 445 S C 1.687 176.374 174.600 0.145 0.000 1.019 445 S CA 1.393 59.772 58.200 0.298 0.000 0.982 445 S CB -0.389 62.726 63.200 -0.142 0.000 0.789 445 S HN 0.569 nan 8.310 nan 0.000 0.490 446 Q N 0.612 120.401 119.800 -0.019 0.000 2.369 446 Q HA 0.024 4.392 4.340 0.048 0.000 0.206 446 Q C 1.098 177.008 176.000 -0.150 0.000 0.963 446 Q CA 1.025 56.697 55.803 -0.218 0.000 0.894 446 Q CB -0.566 27.862 28.738 -0.517 0.000 0.965 446 Q HN 0.827 nan 8.270 nan 0.000 0.475 447 H N -0.345 118.759 119.070 0.056 0.000 2.547 447 H HA 0.283 4.867 4.556 0.048 0.000 0.266 447 H C 0.866 176.240 175.328 0.077 0.000 0.988 447 H CA 0.655 56.743 56.048 0.066 0.000 1.147 447 H CB 0.196 30.006 29.762 0.079 0.000 1.365 447 H HN 0.336 nan 8.280 nan 0.000 0.589 448 G N 0.095 109.023 108.800 0.213 0.000 2.707 448 G HA2 -0.193 3.796 3.960 0.048 0.000 0.686 448 G HA3 -0.193 3.796 3.960 0.048 0.000 0.686 448 G C -1.779 173.115 174.900 -0.011 0.000 1.315 448 G CA -0.436 44.748 45.100 0.141 0.000 0.832 448 G HN 0.085 nan 8.290 nan 0.000 0.573 449 P HA -0.030 nan 4.420 nan 0.000 0.218 449 P C 1.993 179.150 177.300 -0.239 0.000 1.149 449 P CA 1.717 64.387 63.100 -0.717 0.000 0.817 449 P CB 0.052 31.354 31.700 -0.664 0.000 0.785 450 V N 0.228 120.075 119.914 -0.112 0.000 2.283 450 V HA -0.203 3.946 4.120 0.048 0.000 0.243 450 V C 2.727 178.813 176.094 -0.013 0.000 1.039 450 V CA 1.789 64.061 62.300 -0.047 0.000 1.016 450 V CB -1.145 30.660 31.823 -0.031 0.000 0.650 450 V HN 0.005 nan 8.190 nan 0.000 0.449 451 M N -0.824 118.790 119.600 0.025 0.000 2.132 451 M HA -0.118 4.391 4.480 0.048 0.000 0.263 451 M C 2.199 178.518 176.300 0.032 0.000 1.065 451 M CA 1.705 57.019 55.300 0.022 0.000 1.122 451 M CB -1.517 31.115 32.600 0.052 0.000 1.365 451 M HN 0.387 nan 8.290 nan 0.000 0.411 452 F N 1.990 121.932 119.950 -0.013 0.000 2.091 452 F HA -0.289 4.267 4.527 0.048 0.000 0.299 452 F C 2.067 177.855 175.800 -0.021 0.000 1.103 452 F CA 2.368 60.383 58.000 0.025 0.000 1.228 452 F CB -0.466 38.609 39.000 0.125 0.000 0.984 452 F HN 0.244 nan 8.300 nan 0.000 0.477 453 D N -0.918 119.507 120.400 0.042 0.000 2.158 453 D HA -0.245 4.424 4.640 0.048 0.000 0.197 453 D C 2.310 178.524 176.300 -0.143 0.000 0.995 453 D CA 1.968 55.943 54.000 -0.041 0.000 0.846 453 D CB -0.353 40.445 40.800 -0.003 0.000 0.941 453 D HN 0.385 nan 8.370 nan 0.000 0.456 454 T N -1.789 112.685 114.554 -0.134 0.000 2.857 454 T HA -0.081 4.298 4.350 0.048 0.000 0.266 454 T C 1.912 176.477 174.700 -0.225 0.000 1.048 454 T CA 1.408 63.425 62.100 -0.138 0.000 1.139 454 T CB -0.370 68.445 68.868 -0.088 0.000 0.874 454 T HN 0.003 nan 8.240 nan 0.000 0.455 455 V N 1.463 121.183 119.914 -0.322 0.000 2.591 455 V HA 0.040 4.189 4.120 0.048 0.000 0.249 455 V C 2.807 178.563 176.094 -0.564 0.000 1.053 455 V CA 1.795 63.827 62.300 -0.446 0.000 1.068 455 V CB -0.761 30.842 31.823 -0.367 0.000 0.689 455 V HN 0.500 nan 8.190 nan 0.000 0.462 456 R N 0.120 120.258 120.500 -0.602 0.000 2.083 456 R HA -0.205 4.163 4.340 0.048 0.000 0.237 456 R C 2.392 178.546 176.300 -0.242 0.000 1.137 456 R CA 1.745 57.574 56.100 -0.452 0.000 0.951 456 R CB -0.212 29.847 30.300 -0.402 0.000 0.851 456 R HN 0.429 nan 8.270 nan 0.000 0.434 457 Q N 0.652 120.345 119.800 -0.179 0.000 2.061 457 Q HA -0.168 4.201 4.340 0.048 0.000 0.204 457 Q C 2.284 178.257 176.000 -0.045 0.000 0.984 457 Q CA 1.624 57.377 55.803 -0.083 0.000 0.846 457 Q CB -0.368 28.344 28.738 -0.043 0.000 0.902 457 Q HN 0.484 nan 8.270 nan 0.000 0.421 458 I N 0.762 121.270 120.570 -0.102 0.000 2.163 458 I HA -0.310 3.888 4.170 0.048 0.000 0.243 458 I C 2.344 178.374 176.117 -0.146 0.000 1.085 458 I CA 1.272 62.551 61.300 -0.035 0.000 1.347 458 I CB -0.431 37.334 38.000 -0.392 0.000 1.044 458 I HN 0.108 nan 8.210 nan 0.000 0.408 459 A N 0.874 123.400 122.820 -0.491 0.000 1.902 459 A HA -0.173 4.175 4.320 0.048 0.000 0.217 459 A C 2.287 179.872 177.584 0.001 0.000 1.181 459 A CA 1.517 53.373 52.037 -0.303 0.000 0.623 459 A CB -0.860 18.000 19.000 -0.234 0.000 0.818 459 A HN 0.394 nan 8.150 nan 0.000 0.443 460 I N -0.601 119.954 120.570 -0.025 0.000 2.208 460 I HA -0.280 3.919 4.170 0.048 0.000 0.245 460 I C 2.612 178.733 176.117 0.007 0.000 1.097 460 I CA 1.604 62.909 61.300 0.009 0.000 1.363 460 I CB -0.275 37.722 38.000 -0.005 0.000 1.051 460 I HN 0.259 nan 8.210 nan 0.000 0.413 461 K N 0.635 121.033 120.400 -0.004 0.000 2.026 461 K HA -0.152 4.196 4.320 0.048 0.000 0.208 461 K C 2.126 178.657 176.600 -0.115 0.000 1.048 461 K CA 2.007 58.228 56.287 -0.110 0.000 0.929 461 K CB -0.293 32.086 32.500 -0.202 0.000 0.713 461 K HN 0.309 nan 8.250 nan 0.000 0.439 462 T N 1.109 115.745 114.554 0.137 0.000 2.652 462 T HA -0.174 4.205 4.350 0.048 0.000 0.267 462 T C 1.937 176.729 174.700 0.153 0.000 1.039 462 T CA 1.668 63.927 62.100 0.265 0.000 1.153 462 T CB -0.354 68.856 68.868 0.569 0.000 0.863 462 T HN 0.359 nan 8.240 nan 0.000 0.428 463 A N 2.078 124.986 122.820 0.147 0.000 1.940 463 A HA -0.218 4.131 4.320 0.048 0.000 0.219 463 A C 2.388 180.016 177.584 0.073 0.000 1.176 463 A CA 1.980 54.091 52.037 0.122 0.000 0.631 463 A CB -0.665 18.401 19.000 0.111 0.000 0.814 463 A HN 0.763 nan 8.150 nan 0.000 0.446 464 Q N -1.319 118.498 119.800 0.028 0.000 2.123 464 Q HA 0.050 4.419 4.340 0.048 0.000 0.196 464 Q C 1.985 177.978 176.000 -0.013 0.000 0.958 464 Q CA 1.312 57.116 55.803 0.001 0.000 0.841 464 Q CB -0.766 27.958 28.738 -0.023 0.000 0.915 464 Q HN 0.390 nan 8.270 nan 0.000 0.455 465 G N 1.126 109.897 108.800 -0.049 0.000 2.443 465 G HA2 -0.189 3.799 3.960 0.048 0.000 0.219 465 G HA3 -0.189 3.799 3.960 0.048 0.000 0.219 465 G C 1.062 175.973 174.900 0.018 0.000 1.131 465 G CA 0.549 45.614 45.100 -0.059 0.000 0.775 465 G HN 0.455 nan 8.290 nan 0.000 0.547 466 E N -0.519 119.725 120.200 0.074 0.000 2.481 466 E HA 0.273 4.651 4.350 0.048 0.000 0.198 466 E C 1.348 178.056 176.600 0.181 0.000 1.027 466 E CA 0.108 56.607 56.400 0.165 0.000 0.900 466 E CB 0.434 30.255 29.700 0.202 0.000 0.993 466 E HN 0.323 nan 8.360 nan 0.000 0.482 467 G N 2.148 111.011 108.800 0.104 0.000 2.256 467 G HA2 -0.265 3.724 3.960 0.048 0.000 0.272 467 G HA3 -0.265 3.724 3.960 0.048 0.000 0.272 467 G C -0.057 174.894 174.900 0.084 0.000 1.076 467 G CA 0.164 45.309 45.100 0.075 0.000 0.882 467 G HN 0.122 nan 8.290 nan 0.000 0.497 468 L N -1.122 120.163 121.223 0.103 0.000 2.322 468 L HA 0.823 5.191 4.340 0.048 0.000 0.269 468 L C 0.304 177.226 176.870 0.086 0.000 1.012 468 L CA -1.534 53.371 54.840 0.109 0.000 0.815 468 L CB 2.100 44.249 42.059 0.150 0.000 1.295 468 L HN -0.062 nan 8.230 nan 0.000 0.438 469 V N 2.926 122.887 119.914 0.079 0.000 2.444 469 V HA 0.522 4.671 4.120 0.048 0.000 0.294 469 V C -0.139 176.005 176.094 0.084 0.000 1.022 469 V CA -0.394 61.949 62.300 0.071 0.000 0.850 469 V CB 1.716 33.570 31.823 0.052 0.000 0.992 469 V HN 0.497 nan 8.190 nan 0.000 0.426 470 L N 3.976 125.255 121.223 0.093 0.000 2.323 470 L HA 0.648 5.017 4.340 0.048 0.000 0.265 470 L C 0.515 177.442 176.870 0.095 0.000 1.012 470 L CA -0.610 54.295 54.840 0.108 0.000 0.820 470 L CB 2.172 44.317 42.059 0.143 0.000 1.334 470 L HN 0.353 nan 8.230 nan 0.000 0.427 471 V N -0.342 119.630 119.914 0.097 0.000 3.359 471 V HA 0.043 4.192 4.120 0.048 0.000 0.245 471 V C 1.030 177.179 176.094 0.092 0.000 1.247 471 V CA 0.409 62.757 62.300 0.079 0.000 1.145 471 V CB 0.166 32.023 31.823 0.056 0.000 0.906 471 V HN 0.755 nan 8.190 nan 0.000 0.464 472 N N 0.299 119.070 118.700 0.119 0.000 2.441 472 N HA -0.023 4.746 4.740 0.048 0.000 0.225 472 N C 1.222 176.899 175.510 0.278 0.000 1.208 472 N CA 0.260 53.396 53.050 0.144 0.000 0.847 472 N CB 0.273 38.841 38.487 0.135 0.000 1.121 472 N HN 0.194 nan 8.380 nan 0.000 0.479 473 T N -0.008 114.687 114.554 0.235 0.000 3.081 473 T HA -0.027 4.351 4.350 0.048 0.000 0.255 473 T C 0.407 175.342 174.700 0.393 0.000 1.113 473 T CA 0.174 62.435 62.100 0.269 0.000 1.082 473 T CB -0.056 68.901 68.868 0.149 0.000 0.939 473 T HN 0.423 nan 8.240 nan 0.000 0.506 474 N N -0.156 118.721 118.700 0.295 0.000 2.405 474 N HA 0.066 4.834 4.740 0.048 0.000 0.299 474 N C 0.523 176.023 175.510 -0.017 0.000 1.075 474 N CA -0.519 52.673 53.050 0.235 0.000 0.884 474 N CB 1.001 39.553 38.487 0.110 0.000 1.194 474 N HN -0.038 nan 8.380 nan 0.000 0.491 475 Y N 2.319 122.411 120.300 -0.346 0.000 2.002 475 Y HA -0.326 4.252 4.550 0.047 0.000 0.268 475 Y C 1.426 177.019 175.900 -0.510 0.000 1.177 475 Y CA 2.367 59.968 58.100 -0.831 0.000 1.111 475 Y CB -0.379 37.816 38.460 -0.442 0.000 0.952 475 Y HN 0.601 nan 8.280 nan 0.000 0.491 476 D N -0.628 119.553 120.400 -0.364 0.000 2.149 476 D HA -0.179 4.489 4.640 0.048 0.000 0.198 476 D C 2.143 178.249 176.300 -0.322 0.000 0.990 476 D CA 1.349 55.132 54.000 -0.362 0.000 0.839 476 D CB -0.189 40.511 40.800 -0.167 0.000 0.948 476 D HN 0.483 nan 8.370 nan 0.000 0.460 477 Q N 0.260 119.919 119.800 -0.235 0.000 2.083 477 Q HA 0.021 4.389 4.340 0.048 0.000 0.198 477 Q C 2.249 178.112 176.000 -0.228 0.000 0.969 477 Q CA 0.965 56.661 55.803 -0.179 0.000 0.838 477 Q CB -0.422 28.266 28.738 -0.085 0.000 0.900 477 Q HN 0.236 nan 8.270 nan 0.000 0.436 478 A N 0.994 123.653 122.820 -0.268 0.000 1.902 478 A HA -0.131 4.217 4.320 0.048 0.000 0.217 478 A C 2.221 179.590 177.584 -0.359 0.000 1.181 478 A CA 1.023 52.908 52.037 -0.253 0.000 0.623 478 A CB -0.755 18.143 19.000 -0.169 0.000 0.818 478 A HN 0.316 nan 8.150 nan 0.000 0.443 479 L N -1.080 119.833 121.223 -0.516 0.000 2.191 479 L HA -0.206 4.162 4.340 0.048 0.000 0.212 479 L C 2.990 179.647 176.870 -0.354 0.000 1.103 479 L CA 0.980 55.530 54.840 -0.482 0.000 0.769 479 L CB -0.430 41.237 42.059 -0.654 0.000 0.908 479 L HN 0.502 nan 8.230 nan 0.000 0.438 480 A N -0.781 121.841 122.820 -0.331 0.000 1.878 480 A HA -0.179 4.169 4.320 0.048 0.000 0.213 480 A C 2.403 179.811 177.584 -0.293 0.000 1.192 480 A CA 1.756 53.632 52.037 -0.268 0.000 0.619 480 A CB -0.802 18.069 19.000 -0.214 0.000 0.837 480 A HN 0.371 nan 8.150 nan 0.000 0.446 481 T N -2.175 112.172 114.554 -0.345 0.000 2.720 481 T HA -0.257 4.122 4.350 0.048 0.000 0.268 481 T C 1.777 175.919 174.700 -0.930 0.000 1.037 481 T CA 1.998 63.782 62.100 -0.527 0.000 1.144 481 T CB -0.492 68.111 68.868 -0.442 0.000 0.864 481 T HN 0.469 nan 8.240 nan 0.000 0.444 482 Y N 1.838 121.596 120.300 -0.903 0.000 2.165 482 Y HA -0.109 4.470 4.550 0.047 0.000 0.286 482 Y C 2.466 178.145 175.900 -0.368 0.000 1.155 482 Y CA 2.063 59.674 58.100 -0.815 0.000 1.164 482 Y CB -0.679 37.480 38.460 -0.503 0.000 0.978 482 Y HN 0.373 nan 8.280 nan 0.000 0.513 483 N N -0.035 118.564 118.700 -0.168 0.000 2.120 483 N HA -0.204 4.565 4.740 0.048 0.000 0.188 483 N C 1.919 177.388 175.510 -0.068 0.000 1.024 483 N CA 1.603 54.606 53.050 -0.079 0.000 0.852 483 N CB -0.514 37.890 38.487 -0.138 0.000 1.003 483 N HN 0.431 nan 8.380 nan 0.000 0.424 484 A N -0.065 122.662 122.820 -0.156 0.000 1.908 484 A HA -0.157 4.191 4.320 0.048 0.000 0.218 484 A C 1.781 179.387 177.584 0.036 0.000 1.181 484 A CA 1.433 53.424 52.037 -0.076 0.000 0.627 484 A CB -1.101 17.838 19.000 -0.102 0.000 0.818 484 A HN 0.510 nan 8.150 nan 0.000 0.445 485 W N -1.253 119.944 121.300 -0.172 0.000 2.355 485 W HA -0.097 4.591 4.660 0.047 0.000 0.309 485 W C 2.135 178.531 176.519 -0.204 0.000 1.206 485 W CA 0.566 57.775 57.345 -0.227 0.000 1.284 485 W CB -1.655 27.566 29.460 -0.398 0.000 1.145 485 W HN 0.424 nan 8.180 nan 0.000 0.502 486 F N 1.548 121.429 119.950 -0.115 0.000 2.075 486 F HA -0.198 4.357 4.527 0.047 0.000 0.297 486 F C 2.327 178.106 175.800 -0.034 0.000 1.113 486 F CA 2.509 60.447 58.000 -0.104 0.000 1.218 486 F CB -0.607 38.350 39.000 -0.071 0.000 0.984 486 F HN -0.158 nan 8.300 nan 0.000 0.472 487 I N -2.316 118.325 120.570 0.118 0.000 2.617 487 I HA 0.148 4.346 4.170 0.048 0.000 0.256 487 I C 2.310 178.407 176.117 -0.033 0.000 1.167 487 I CA 1.340 62.655 61.300 0.026 0.000 1.469 487 I CB -1.409 36.641 38.000 0.082 0.000 1.098 487 I HN 0.104 nan 8.210 nan 0.000 0.436 488 G N 0.854 109.647 108.800 -0.012 0.000 2.464 488 G HA2 0.190 4.179 3.960 0.048 0.000 0.217 488 G HA3 0.190 4.179 3.960 0.048 0.000 0.217 488 G C 1.418 176.292 174.900 -0.044 0.000 1.138 488 G CA 0.558 45.649 45.100 -0.015 0.000 0.793 488 G HN 0.823 nan 8.290 nan 0.000 0.539 489 G N -0.591 108.164 108.800 -0.075 0.000 2.160 489 G HA2 -0.231 3.758 3.960 0.048 0.000 0.244 489 G HA3 -0.231 3.758 3.960 0.048 0.000 0.244 489 G C 0.207 175.057 174.900 -0.083 0.000 1.022 489 G CA 0.321 45.361 45.100 -0.100 0.000 0.741 489 G HN 0.695 nan 8.290 nan 0.000 0.508 490 T N 2.343 116.862 114.554 -0.059 0.000 2.739 490 T HA 0.483 4.862 4.350 0.048 0.000 0.298 490 T C -1.870 172.671 174.700 -0.266 0.000 0.929 490 T CA -0.873 61.181 62.100 -0.077 0.000 1.014 490 T CB 1.700 70.606 68.868 0.064 0.000 0.914 490 T HN 0.154 nan 8.240 nan 0.000 0.509 491 P HA 0.134 nan 4.420 nan 0.000 0.269 491 P C -0.115 176.886 177.300 -0.497 0.000 1.211 491 P CA 0.357 63.253 63.100 -0.340 0.000 0.781 491 P CB 0.379 31.968 31.700 -0.187 0.000 0.877 492 D N 0.000 120.046 120.400 -0.591 0.000 6.856 492 D HA 0.000 4.669 4.640 0.048 0.000 0.175 492 D CA 0.000 53.734 54.000 -0.443 0.000 0.868 492 D CB 0.000 40.518 40.800 -0.470 0.000 0.688 492 D HN 0.000 nan 8.370 nan 0.000 0.683