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 1we3_1_J DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.556 177.584 -0.046 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 3 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 4 K N 0.461 120.836 120.400 -0.043 0.000 2.520 4 K HA 0.718 5.039 4.320 0.000 0.000 0.256 4 K C -0.263 176.305 176.600 -0.052 0.000 1.033 4 K CA -0.526 55.725 56.287 -0.060 0.000 1.007 4 K CB 1.268 33.737 32.500 -0.051 0.000 1.330 4 K HN 0.942 nan 8.250 nan 0.000 0.507 5 I N 0.875 121.408 120.570 -0.060 0.000 2.637 5 I HA 0.191 4.361 4.170 0.000 0.000 0.285 5 I C -1.505 174.576 176.117 -0.060 0.000 1.222 5 I CA -0.517 60.757 61.300 -0.043 0.000 1.067 5 I CB 0.741 38.716 38.000 -0.042 0.000 1.279 5 I HN 0.350 nan 8.210 nan 0.000 0.441 6 L N 7.225 128.423 121.223 -0.043 0.000 2.395 6 L HA 0.630 4.970 4.340 0.000 0.000 0.269 6 L C -0.679 176.118 176.870 -0.122 0.000 1.133 6 L CA -0.642 54.119 54.840 -0.132 0.000 0.812 6 L CB 1.605 43.636 42.059 -0.046 0.000 1.125 6 L HN 0.356 nan 8.230 nan 0.000 0.452 7 V N 2.568 122.279 119.914 -0.339 0.000 2.711 7 V HA 0.406 4.526 4.120 0.000 0.000 0.304 7 V C -0.725 175.177 176.094 -0.321 0.000 1.097 7 V CA -0.542 61.666 62.300 -0.152 0.000 0.906 7 V CB 1.713 33.491 31.823 -0.076 0.000 1.015 7 V HN 0.421 nan 8.190 nan 0.000 0.427 8 F N 0.702 120.653 119.950 0.003 0.000 2.611 8 F HA 0.614 5.141 4.527 -0.000 0.000 0.374 8 F C 1.238 177.040 175.800 0.003 0.000 1.110 8 F CA -0.593 57.408 58.000 0.003 0.000 1.090 8 F CB 0.312 39.313 39.000 0.002 0.000 1.388 8 F HN 0.584 nan 8.300 nan 0.000 0.501 9 D N 0.172 120.712 120.400 0.232 0.000 3.577 9 D HA -0.338 4.302 4.640 0.000 0.000 0.166 9 D C 1.415 177.761 176.300 0.077 0.000 1.039 9 D CA 1.640 55.713 54.000 0.121 0.000 0.860 9 D CB -0.603 40.257 40.800 0.100 0.000 0.456 9 D HN 0.770 nan 8.370 nan 0.000 0.418 10 E N 0.755 120.990 120.200 0.058 0.000 2.130 10 E HA -0.200 4.150 4.350 0.000 0.000 0.196 10 E C 2.105 178.729 176.600 0.040 0.000 0.998 10 E CA 1.366 57.790 56.400 0.040 0.000 0.806 10 E CB -0.220 29.499 29.700 0.032 0.000 0.738 10 E HN 0.431 nan 8.360 nan 0.000 0.459 11 A N 1.270 124.123 122.820 0.054 0.000 1.884 11 A HA -0.269 4.051 4.320 0.000 0.000 0.219 11 A C 2.369 179.974 177.584 0.034 0.000 1.197 11 A CA 2.362 54.429 52.037 0.050 0.000 0.637 11 A CB -0.957 18.088 19.000 0.075 0.000 0.827 11 A HN 0.411 nan 8.150 nan 0.000 0.450 12 A N -0.556 122.283 122.820 0.032 0.000 1.835 12 A HA -0.160 4.160 4.320 0.000 0.000 0.215 12 A C 2.204 179.791 177.584 0.005 0.000 1.199 12 A CA 1.641 53.679 52.037 0.002 0.000 0.615 12 A CB -0.611 18.376 19.000 -0.022 0.000 0.838 12 A HN 0.540 nan 8.150 nan 0.000 0.444 13 R N -0.983 119.524 120.500 0.012 0.000 2.133 13 R HA -0.151 4.189 4.340 0.000 0.000 0.247 13 R C 2.348 178.654 176.300 0.011 0.000 1.151 13 R CA 1.541 57.647 56.100 0.011 0.000 0.971 13 R CB -0.301 30.009 30.300 0.015 0.000 0.866 13 R HN 0.337 nan 8.270 nan 0.000 0.447 14 R N 0.106 120.615 120.500 0.014 0.000 2.092 14 R HA 0.013 4.353 4.340 0.000 0.000 0.231 14 R C 2.184 178.490 176.300 0.010 0.000 1.119 14 R CA 1.337 57.444 56.100 0.013 0.000 0.970 14 R CB -0.715 29.595 30.300 0.015 0.000 0.864 14 R HN 0.255 nan 8.270 nan 0.000 0.440 15 A N 1.477 124.304 122.820 0.010 0.000 1.858 15 A HA -0.122 4.198 4.320 0.000 0.000 0.216 15 A C 2.401 179.989 177.584 0.006 0.000 1.190 15 A CA 1.198 53.240 52.037 0.009 0.000 0.617 15 A CB -0.710 18.296 19.000 0.009 0.000 0.827 15 A HN 0.185 nan 8.150 nan 0.000 0.443 16 L N -0.709 120.517 121.223 0.004 0.000 2.012 16 L HA -0.261 4.079 4.340 0.000 0.000 0.210 16 L C 2.706 179.578 176.870 0.003 0.000 1.073 16 L CA 2.033 56.874 54.840 0.002 0.000 0.748 16 L CB -0.655 41.404 42.059 -0.000 0.000 0.891 16 L HN 0.658 nan 8.230 nan 0.000 0.431 17 E N 0.541 120.743 120.200 0.004 0.000 2.097 17 E HA -0.275 4.075 4.350 0.000 0.000 0.196 17 E C 2.342 178.944 176.600 0.004 0.000 1.000 17 E CA 1.346 57.749 56.400 0.005 0.000 0.804 17 E CB 0.025 29.729 29.700 0.006 0.000 0.740 17 E HN 0.347 nan 8.360 nan 0.000 0.454 18 R N -0.340 120.162 120.500 0.004 0.000 2.096 18 R HA -0.147 4.193 4.340 0.000 0.000 0.240 18 R C 2.518 178.819 176.300 0.001 0.000 1.139 18 R CA 1.377 57.478 56.100 0.003 0.000 0.952 18 R CB -0.602 29.701 30.300 0.004 0.000 0.854 18 R HN 0.335 nan 8.270 nan 0.000 0.436 19 G N 0.270 109.070 108.800 0.001 0.000 2.433 19 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 19 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 19 G C 1.470 176.369 174.900 -0.001 0.000 1.186 19 G CA 0.900 45.999 45.100 -0.002 0.000 0.779 19 G HN 0.149 nan 8.290 nan 0.000 0.543 20 V N 1.737 121.651 119.914 0.000 0.000 2.278 20 V HA -0.291 3.829 4.120 0.000 0.000 0.251 20 V C 2.698 178.793 176.094 0.001 0.000 1.062 20 V CA 2.133 64.433 62.300 0.001 0.000 1.038 20 V CB -0.489 31.335 31.823 0.002 0.000 0.646 20 V HN 0.378 nan 8.190 nan 0.000 0.447 21 N N 0.006 118.706 118.700 0.001 0.000 2.142 21 N HA -0.102 4.639 4.740 0.000 0.000 0.186 21 N C 1.965 177.475 175.510 -0.000 0.000 1.023 21 N CA 1.547 54.598 53.050 0.001 0.000 0.852 21 N CB -0.409 38.080 38.487 0.002 0.000 0.998 21 N HN 0.506 nan 8.380 nan 0.000 0.424 22 A N 1.279 124.098 122.820 -0.002 0.000 1.884 22 A HA -0.163 4.157 4.320 0.000 0.000 0.219 22 A C 2.560 180.141 177.584 -0.004 0.000 1.197 22 A CA 1.883 53.918 52.037 -0.004 0.000 0.637 22 A CB -0.998 17.998 19.000 -0.007 0.000 0.827 22 A HN 0.102 nan 8.150 nan 0.000 0.450 23 V N -0.283 119.629 119.914 -0.004 0.000 2.216 23 V HA -0.234 3.886 4.120 0.000 0.000 0.243 23 V C 3.079 179.172 176.094 -0.001 0.000 1.044 23 V CA 2.141 64.439 62.300 -0.003 0.000 0.995 23 V CB -1.580 30.241 31.823 -0.002 0.000 0.633 23 V HN 0.678 nan 8.190 nan 0.000 0.446 24 A N 0.745 123.565 122.820 -0.000 0.000 1.929 24 A HA -0.344 3.976 4.320 0.000 0.000 0.221 24 A C 2.015 179.600 177.584 0.002 0.000 1.211 24 A CA 2.614 54.652 52.037 0.001 0.000 0.657 24 A CB -0.940 18.061 19.000 0.002 0.000 0.827 24 A HN 0.657 nan 8.150 nan 0.000 0.462 25 N N -0.157 118.543 118.700 0.001 0.000 2.309 25 N HA -0.038 4.702 4.740 0.000 0.000 0.182 25 N C 1.789 177.299 175.510 0.001 0.000 1.018 25 N CA 1.382 54.433 53.050 0.001 0.000 0.876 25 N CB -0.451 38.036 38.487 0.001 0.000 0.972 25 N HN 0.550 nan 8.380 nan 0.000 0.434 26 A N 0.477 123.296 122.820 -0.001 0.000 1.930 26 A HA 0.034 4.354 4.320 0.000 0.000 0.215 26 A C 2.467 180.050 177.584 -0.001 0.000 1.176 26 A CA 0.710 52.746 52.037 -0.002 0.000 0.632 26 A CB -0.405 18.593 19.000 -0.004 0.000 0.819 26 A HN 0.069 nan 8.150 nan 0.000 0.445 27 V N 1.529 121.443 119.914 -0.001 0.000 2.323 27 V HA -0.252 3.868 4.120 0.000 0.000 0.244 27 V C 2.513 178.609 176.094 0.002 0.000 1.041 27 V CA 2.198 64.499 62.300 0.000 0.000 1.025 27 V CB -0.763 31.060 31.823 0.001 0.000 0.656 27 V HN 0.827 nan 8.190 nan 0.000 0.451 28 K N 1.708 122.109 120.400 0.003 0.000 2.281 28 K HA -0.130 4.190 4.320 0.000 0.000 0.203 28 K C 1.731 178.335 176.600 0.007 0.000 1.046 28 K CA 1.776 58.066 56.287 0.005 0.000 0.938 28 K CB -0.835 31.669 32.500 0.006 0.000 0.737 28 K HN 0.515 nan 8.250 nan 0.000 0.458 29 V N -0.017 119.901 119.914 0.006 0.000 3.383 29 V HA -0.058 4.062 4.120 0.000 0.000 0.272 29 V C 1.657 177.755 176.094 0.007 0.000 1.181 29 V CA 1.466 63.771 62.300 0.008 0.000 1.171 29 V CB -1.013 30.814 31.823 0.007 0.000 0.800 29 V HN 0.580 nan 8.190 nan 0.000 0.515 30 T N -3.064 111.493 114.554 0.005 0.000 2.971 30 T HA 0.321 4.671 4.350 0.000 0.000 0.252 30 T C 0.509 175.210 174.700 0.001 0.000 1.022 30 T CA -0.112 61.989 62.100 0.002 0.000 0.980 30 T CB -0.056 68.812 68.868 -0.001 0.000 1.044 30 T HN 0.356 nan 8.240 nan 0.000 0.501 31 L N 3.002 124.226 121.223 0.002 0.000 2.578 31 L HA 0.450 4.790 4.340 0.000 0.000 0.279 31 L C 0.875 177.743 176.870 -0.005 0.000 1.227 31 L CA 2.074 56.914 54.840 -0.000 0.000 0.900 31 L CB -0.658 41.402 42.059 0.002 0.000 1.144 31 L HN 0.794 nan 8.230 nan 0.000 0.496 32 G N 3.679 112.471 108.800 -0.013 0.000 2.712 32 G HA2 -0.164 3.796 3.960 0.000 0.000 0.683 32 G HA3 -0.164 3.796 3.960 0.000 0.000 0.683 32 G C -1.857 173.024 174.900 -0.032 0.000 1.320 32 G CA -0.446 44.637 45.100 -0.027 0.000 0.847 32 G HN 0.523 nan 8.290 nan 0.000 0.553 33 P HA -0.007 nan 4.420 nan 0.000 0.221 33 P C 1.080 178.358 177.300 -0.038 0.000 1.145 33 P CA 1.090 64.156 63.100 -0.057 0.000 0.795 33 P CB 0.113 31.753 31.700 -0.099 0.000 0.775 34 R N -0.709 119.777 120.500 -0.024 0.000 2.776 34 R HA 0.311 4.652 4.340 0.000 0.000 0.391 34 R C 0.629 176.935 176.300 0.010 0.000 1.116 34 R CA -0.343 55.757 56.100 -0.001 0.000 1.056 34 R CB -0.003 30.308 30.300 0.020 0.000 1.369 34 R HN 0.047 nan 8.270 nan 0.000 0.590 35 G N 1.313 110.114 108.800 0.002 0.000 2.568 35 G HA2 -0.037 3.923 3.960 0.000 0.000 0.231 35 G HA3 -0.037 3.923 3.960 0.000 0.000 0.231 35 G C 0.291 175.196 174.900 0.008 0.000 1.261 35 G CA -0.252 44.851 45.100 0.006 0.000 0.855 35 G HN 0.104 nan 8.290 nan 0.000 0.576 36 R N 0.283 120.789 120.500 0.010 0.000 2.549 36 R HA 0.180 4.520 4.340 0.000 0.000 0.259 36 R C 0.251 176.552 176.300 0.002 0.000 1.095 36 R CA -0.662 55.443 56.100 0.009 0.000 1.148 36 R CB 0.375 30.682 30.300 0.011 0.000 1.181 36 R HN 0.680 nan 8.270 nan 0.000 0.571 37 N N -0.600 118.100 118.700 0.000 0.000 2.514 37 N HA 0.216 4.956 4.740 0.000 0.000 0.277 37 N C -0.930 174.577 175.510 -0.004 0.000 1.126 37 N CA -0.320 52.727 53.050 -0.004 0.000 0.978 37 N CB 1.226 39.710 38.487 -0.005 0.000 1.106 37 N HN 0.054 nan 8.380 nan 0.000 0.461 38 V N 2.752 122.662 119.914 -0.007 0.000 2.448 38 V HA 0.288 4.408 4.120 0.000 0.000 0.295 38 V C -0.158 175.930 176.094 -0.010 0.000 1.025 38 V CA -0.786 61.509 62.300 -0.007 0.000 0.859 38 V CB 1.847 33.666 31.823 -0.008 0.000 0.988 38 V HN 0.324 nan 8.190 nan 0.000 0.431 39 V N 6.593 126.501 119.914 -0.009 0.000 2.407 39 V HA 0.475 4.595 4.120 0.000 0.000 0.278 39 V C -0.441 175.646 176.094 -0.011 0.000 1.037 39 V CA -0.396 61.898 62.300 -0.010 0.000 0.900 39 V CB 1.339 33.156 31.823 -0.010 0.000 0.983 39 V HN 0.577 nan 8.190 nan 0.000 0.459 40 L N 5.128 126.345 121.223 -0.011 0.000 2.362 40 L HA 0.542 4.882 4.340 0.000 0.000 0.275 40 L C 0.014 176.878 176.870 -0.009 0.000 0.998 40 L CA -0.316 54.517 54.840 -0.011 0.000 0.820 40 L CB 1.881 43.933 42.059 -0.011 0.000 1.270 40 L HN 0.816 nan 8.230 nan 0.000 0.415 41 E N 3.041 123.235 120.200 -0.010 0.000 2.191 41 E HA 0.501 4.851 4.350 0.000 0.000 0.278 41 E C -1.095 175.503 176.600 -0.003 0.000 0.972 41 E CA -0.992 55.402 56.400 -0.009 0.000 0.804 41 E CB 1.420 31.109 29.700 -0.018 0.000 1.110 41 E HN 0.183 nan 8.360 nan 0.000 0.394 42 K N 3.335 123.741 120.400 0.010 0.000 2.156 42 K HA 0.191 4.511 4.320 0.000 0.000 0.271 42 K C 0.527 177.144 176.600 0.029 0.000 0.995 42 K CA -0.584 55.726 56.287 0.038 0.000 0.890 42 K CB 1.447 33.984 32.500 0.061 0.000 1.073 42 K HN 0.570 nan 8.250 nan 0.000 0.454 43 K N 1.178 121.597 120.400 0.031 0.000 2.059 43 K HA -0.184 4.136 4.320 0.000 0.000 0.212 43 K C 1.435 177.866 176.600 -0.281 0.000 1.050 43 K CA 1.956 58.156 56.287 -0.144 0.000 0.927 43 K CB -0.150 32.233 32.500 -0.195 0.000 0.714 43 K HN 0.354 nan 8.250 nan 0.000 0.447 44 F N 0.091 120.032 119.950 -0.015 0.000 2.289 44 F HA 0.174 4.702 4.527 0.001 0.000 0.280 44 F C 1.829 177.621 175.800 -0.013 0.000 1.045 44 F CA 0.040 58.033 58.000 -0.012 0.000 1.236 44 F CB -1.145 37.848 39.000 -0.012 0.000 1.116 44 F HN -0.045 nan 8.300 nan 0.000 0.550 45 G N 0.471 109.396 108.800 0.209 0.000 2.699 45 G HA2 0.312 4.272 3.960 0.000 0.000 0.246 45 G HA3 0.312 4.272 3.960 0.000 0.000 0.246 45 G C 0.205 175.138 174.900 0.055 0.000 1.219 45 G CA 0.009 45.169 45.100 0.099 0.000 0.866 45 G HN 0.376 nan 8.290 nan 0.000 0.572 46 S N 0.872 116.591 115.700 0.031 0.000 2.626 46 S HA 0.429 4.899 4.470 0.000 0.000 0.257 46 S C -1.893 172.713 174.600 0.009 0.000 1.288 46 S CA -0.822 57.386 58.200 0.014 0.000 0.980 46 S CB 1.005 64.210 63.200 0.008 0.000 0.975 46 S HN 0.631 nan 8.310 nan 0.000 0.577 47 P HA 0.240 nan 4.420 nan 0.000 0.270 47 P C -0.648 176.649 177.300 -0.005 0.000 1.223 47 P CA -0.137 62.961 63.100 -0.003 0.000 0.785 47 P CB 0.296 31.991 31.700 -0.007 0.000 0.923 48 T N 1.553 116.102 114.554 -0.007 0.000 2.912 48 T HA 0.670 5.020 4.350 0.000 0.000 0.288 48 T C 0.158 174.850 174.700 -0.014 0.000 1.030 48 T CA -0.525 61.569 62.100 -0.011 0.000 1.020 48 T CB 0.873 69.734 68.868 -0.013 0.000 1.056 48 T HN 0.438 nan 8.240 nan 0.000 0.480 49 I N -0.704 119.856 120.570 -0.017 0.000 2.545 49 I HA 0.834 5.004 4.170 0.000 0.000 0.292 49 I C -0.621 175.483 176.117 -0.021 0.000 1.040 49 I CA -0.572 60.718 61.300 -0.016 0.000 1.068 49 I CB 2.365 40.356 38.000 -0.014 0.000 1.251 49 I HN 0.493 nan 8.210 nan 0.000 0.424 50 T N 3.567 118.109 114.554 -0.020 0.000 2.742 50 T HA 0.556 4.906 4.350 0.000 0.000 0.282 50 T C 0.078 174.766 174.700 -0.019 0.000 1.025 50 T CA -0.779 61.306 62.100 -0.025 0.000 1.020 50 T CB 2.036 70.889 68.868 -0.026 0.000 1.317 50 T HN 0.731 nan 8.240 nan 0.000 0.538 51 K N -0.180 120.207 120.400 -0.021 0.000 2.617 51 K HA 0.149 4.469 4.320 0.000 0.000 0.184 51 K C -0.968 175.625 176.600 -0.012 0.000 1.295 51 K CA -0.173 56.106 56.287 -0.014 0.000 1.112 51 K CB 0.837 33.329 32.500 -0.014 0.000 1.069 51 K HN 0.488 nan 8.250 nan 0.000 0.570 52 D N 0.175 120.565 120.400 -0.017 0.000 2.329 52 D HA 0.148 4.788 4.640 0.000 0.000 0.232 52 D C 0.900 177.196 176.300 -0.006 0.000 1.088 52 D CA -0.067 53.926 54.000 -0.012 0.000 0.835 52 D CB 1.766 42.549 40.800 -0.027 0.000 1.078 52 D HN 0.228 nan 8.370 nan 0.000 0.495 53 G N 2.829 111.630 108.800 0.001 0.000 2.446 53 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 53 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 53 G C 1.570 176.472 174.900 0.002 0.000 1.168 53 G CA 1.011 46.112 45.100 0.002 0.000 0.771 53 G HN 0.493 nan 8.290 nan 0.000 0.551 54 V N 0.870 120.788 119.914 0.007 0.000 2.343 54 V HA -0.190 3.930 4.120 0.000 0.000 0.247 54 V C 3.041 179.136 176.094 0.001 0.000 1.051 54 V CA 2.305 64.610 62.300 0.008 0.000 1.036 54 V CB -1.309 30.526 31.823 0.020 0.000 0.654 54 V HN 0.359 nan 8.190 nan 0.000 0.451 55 T N 0.592 115.142 114.554 -0.007 0.000 2.652 55 T HA -0.179 4.171 4.350 0.000 0.000 0.267 55 T C 1.994 176.687 174.700 -0.012 0.000 1.039 55 T CA 1.909 64.000 62.100 -0.015 0.000 1.153 55 T CB -0.336 68.514 68.868 -0.028 0.000 0.863 55 T HN 0.313 nan 8.240 nan 0.000 0.428 56 V N 1.792 121.700 119.914 -0.011 0.000 2.295 56 V HA -0.161 3.959 4.120 0.000 0.000 0.246 56 V C 2.915 179.005 176.094 -0.007 0.000 1.049 56 V CA 1.623 63.918 62.300 -0.009 0.000 1.024 56 V CB -1.319 30.499 31.823 -0.008 0.000 0.648 56 V HN 0.538 nan 8.190 nan 0.000 0.447 57 A N -0.238 122.579 122.820 -0.004 0.000 1.948 57 A HA -0.288 4.032 4.320 0.000 0.000 0.220 57 A C 2.304 179.886 177.584 -0.004 0.000 1.177 57 A CA 2.204 54.239 52.037 -0.003 0.000 0.636 57 A CB -0.490 18.510 19.000 -0.000 0.000 0.815 57 A HN 0.560 nan 8.150 nan 0.000 0.449 58 K N -0.536 119.861 120.400 -0.004 0.000 2.057 58 K HA -0.126 4.194 4.320 0.000 0.000 0.207 58 K C 1.505 178.100 176.600 -0.008 0.000 1.049 58 K CA 1.337 57.621 56.287 -0.005 0.000 0.931 58 K CB -0.121 32.376 32.500 -0.005 0.000 0.714 58 K HN 0.361 nan 8.250 nan 0.000 0.440 59 E N 0.649 120.843 120.200 -0.010 0.000 2.516 59 E HA -0.029 4.321 4.350 0.000 0.000 0.199 59 E C -0.171 176.422 176.600 -0.013 0.000 1.069 59 E CA 0.296 56.689 56.400 -0.011 0.000 0.876 59 E CB 0.096 29.789 29.700 -0.011 0.000 0.843 59 E HN -0.014 nan 8.360 nan 0.000 0.530 60 V N 1.954 121.861 119.914 -0.012 0.000 2.368 60 V HA 0.175 4.295 4.120 0.000 0.000 0.266 60 V C 0.087 176.171 176.094 -0.016 0.000 1.045 60 V CA -0.199 62.093 62.300 -0.013 0.000 0.899 60 V CB 0.820 32.637 31.823 -0.011 0.000 1.006 60 V HN 0.017 nan 8.190 nan 0.000 0.470 61 E N 5.059 125.245 120.200 -0.022 0.000 2.274 61 E HA 0.527 4.877 4.350 0.000 0.000 0.269 61 E C -1.367 175.210 176.600 -0.038 0.000 0.891 61 E CA -0.673 55.709 56.400 -0.030 0.000 0.784 61 E CB 1.534 31.215 29.700 -0.031 0.000 1.225 61 E HN 0.597 nan 8.360 nan 0.000 0.412 62 L N 3.682 124.878 121.223 -0.045 0.000 2.379 62 L HA 0.352 4.692 4.340 0.000 0.000 0.269 62 L C 1.405 178.228 176.870 -0.079 0.000 1.084 62 L CA -0.537 54.273 54.840 -0.050 0.000 0.802 62 L CB 1.046 43.082 42.059 -0.038 0.000 1.175 62 L HN 0.709 nan 8.230 nan 0.000 0.448 63 E N 0.245 120.402 120.200 -0.071 0.000 2.051 63 E HA -0.155 4.195 4.350 0.000 0.000 0.192 63 E C 0.349 176.877 176.600 -0.121 0.000 0.991 63 E CA 0.831 57.177 56.400 -0.090 0.000 0.799 63 E CB 0.109 29.776 29.700 -0.055 0.000 0.748 63 E HN 0.600 nan 8.360 nan 0.000 0.449 64 D N 0.021 120.378 120.400 -0.072 0.000 2.383 64 D HA -0.068 4.572 4.640 0.000 0.000 0.252 64 D C 0.886 177.154 176.300 -0.052 0.000 1.166 64 D CA 0.164 54.139 54.000 -0.041 0.000 0.879 64 D CB 0.680 41.478 40.800 -0.004 0.000 1.164 64 D HN 0.166 nan 8.370 nan 0.000 0.462 65 H N 3.874 122.941 119.070 -0.006 0.000 2.265 65 H HA -0.155 4.401 4.556 -0.000 0.000 0.295 65 H C 1.998 177.319 175.328 -0.011 0.000 1.084 65 H CA 1.284 57.327 56.048 -0.008 0.000 1.261 65 H CB 0.167 29.923 29.762 -0.009 0.000 1.360 65 H HN 0.497 nan 8.280 nan 0.000 0.487 66 L N 0.681 121.977 121.223 0.121 0.000 1.989 66 L HA -0.207 4.134 4.340 0.000 0.000 0.211 66 L C 2.570 179.458 176.870 0.030 0.000 1.071 66 L CA 1.464 56.337 54.840 0.055 0.000 0.749 66 L CB -0.482 41.597 42.059 0.032 0.000 0.890 66 L HN 0.342 nan 8.230 nan 0.000 0.431 67 E N -0.091 120.121 120.200 0.020 0.000 2.077 67 E HA -0.253 4.097 4.350 0.000 0.000 0.193 67 E C 1.862 178.462 176.600 -0.000 0.000 0.989 67 E CA 1.476 57.879 56.400 0.006 0.000 0.800 67 E CB -0.264 29.436 29.700 -0.001 0.000 0.746 67 E HN 0.436 nan 8.360 nan 0.000 0.452 68 N N 1.194 119.890 118.700 -0.008 0.000 2.120 68 N HA -0.135 4.605 4.740 0.000 0.000 0.188 68 N C 1.758 177.269 175.510 0.003 0.000 1.024 68 N CA 0.893 53.933 53.050 -0.016 0.000 0.852 68 N CB -0.092 38.366 38.487 -0.048 0.000 1.003 68 N HN 0.085 nan 8.380 nan 0.000 0.424 69 I N -0.191 120.391 120.570 0.020 0.000 2.185 69 I HA -0.264 3.906 4.170 0.000 0.000 0.246 69 I C 2.281 178.404 176.117 0.009 0.000 1.088 69 I CA 1.479 62.792 61.300 0.021 0.000 1.347 69 I CB -0.798 37.217 38.000 0.025 0.000 1.041 69 I HN 0.313 nan 8.210 nan 0.000 0.415 70 G N 0.291 109.094 108.800 0.006 0.000 2.414 70 G HA2 -0.202 3.758 3.960 0.000 0.000 0.215 70 G HA3 -0.202 3.758 3.960 0.000 0.000 0.215 70 G C 1.888 176.789 174.900 0.001 0.000 1.188 70 G CA 0.790 45.892 45.100 0.003 0.000 0.783 70 G HN 0.493 nan 8.290 nan 0.000 0.537 71 A N 0.113 122.933 122.820 -0.000 0.000 1.892 71 A HA -0.152 4.169 4.320 0.000 0.000 0.218 71 A C 2.430 180.014 177.584 -0.001 0.000 1.188 71 A CA 2.207 54.242 52.037 -0.002 0.000 0.631 71 A CB -0.419 18.576 19.000 -0.007 0.000 0.822 71 A HN 0.333 nan 8.150 nan 0.000 0.447 72 Q N -0.996 118.804 119.800 0.001 0.000 2.046 72 Q HA -0.101 4.240 4.340 0.000 0.000 0.200 72 Q C 2.114 178.117 176.000 0.004 0.000 0.975 72 Q CA 1.209 57.014 55.803 0.003 0.000 0.836 72 Q CB -0.848 27.894 28.738 0.007 0.000 0.896 72 Q HN 0.546 nan 8.270 nan 0.000 0.428 73 L N 0.600 121.825 121.223 0.004 0.000 2.079 73 L HA -0.183 4.157 4.340 0.000 0.000 0.210 73 L C 2.205 179.076 176.870 0.002 0.000 1.081 73 L CA 1.255 56.097 54.840 0.003 0.000 0.752 73 L CB -0.761 41.299 42.059 0.002 0.000 0.896 73 L HN 0.235 nan 8.230 nan 0.000 0.433 74 L N -0.705 120.519 121.223 0.002 0.000 1.988 74 L HA -0.197 4.143 4.340 0.000 0.000 0.207 74 L C 2.460 179.331 176.870 0.002 0.000 1.071 74 L CA 1.761 56.602 54.840 0.002 0.000 0.744 74 L CB -0.688 41.372 42.059 0.001 0.000 0.893 74 L HN 0.142 nan 8.230 nan 0.000 0.433 75 K N -0.404 119.997 120.400 0.002 0.000 2.089 75 K HA -0.226 4.094 4.320 0.000 0.000 0.210 75 K C 2.004 178.606 176.600 0.003 0.000 1.048 75 K CA 1.758 58.046 56.287 0.002 0.000 0.926 75 K CB -0.333 32.168 32.500 0.002 0.000 0.714 75 K HN 0.435 nan 8.250 nan 0.000 0.448 76 E N 0.578 120.780 120.200 0.003 0.000 2.000 76 E HA -0.171 4.179 4.350 0.000 0.000 0.199 76 E C 2.235 178.836 176.600 0.002 0.000 1.011 76 E CA 1.216 57.618 56.400 0.003 0.000 0.836 76 E CB -0.582 29.121 29.700 0.004 0.000 0.778 76 E HN 0.038 nan 8.360 nan 0.000 0.462 77 V N 1.864 121.780 119.914 0.002 0.000 2.380 77 V HA -0.301 3.819 4.120 0.000 0.000 0.251 77 V C 2.446 178.541 176.094 0.001 0.000 1.063 77 V CA 1.986 64.287 62.300 0.001 0.000 1.055 77 V CB -0.998 30.825 31.823 0.001 0.000 0.657 77 V HN 0.300 nan 8.190 nan 0.000 0.455 78 A N 0.726 123.547 122.820 0.002 0.000 1.898 78 A HA -0.197 4.123 4.320 0.000 0.000 0.216 78 A C 2.559 180.144 177.584 0.002 0.000 1.181 78 A CA 2.198 54.236 52.037 0.002 0.000 0.620 78 A CB -0.745 18.256 19.000 0.002 0.000 0.819 78 A HN 0.699 nan 8.150 nan 0.000 0.442 79 S N 0.994 116.695 115.700 0.002 0.000 2.402 79 S HA -0.179 4.291 4.470 0.000 0.000 0.229 79 S C 1.541 176.140 174.600 -0.001 0.000 1.021 79 S CA 1.212 59.413 58.200 0.001 0.000 0.974 79 S CB -0.607 62.594 63.200 0.002 0.000 0.800 79 S HN 0.730 nan 8.310 nan 0.000 0.484 80 K N 1.007 121.406 120.400 -0.002 0.000 2.773 80 K HA 0.140 4.460 4.320 0.000 0.000 0.222 80 K C 0.526 177.124 176.600 -0.003 0.000 0.985 80 K CA 0.776 57.061 56.287 -0.003 0.000 1.126 80 K CB -0.453 32.046 32.500 -0.002 0.000 0.919 80 K HN 0.282 nan 8.250 nan 0.000 0.487 81 T N -0.389 114.164 114.554 -0.003 0.000 3.058 81 T HA -0.018 4.332 4.350 0.000 0.000 0.247 81 T C 1.373 176.070 174.700 -0.005 0.000 0.987 81 T CA -0.158 61.941 62.100 -0.003 0.000 1.062 81 T CB -0.089 68.778 68.868 -0.001 0.000 1.048 81 T HN 0.321 nan 8.240 nan 0.000 0.468 82 N N 1.683 120.381 118.700 -0.004 0.000 2.309 82 N HA -0.108 4.632 4.740 0.000 0.000 0.182 82 N C 0.777 176.281 175.510 -0.010 0.000 1.018 82 N CA 1.016 54.063 53.050 -0.005 0.000 0.876 82 N CB -0.095 38.393 38.487 0.001 0.000 0.972 82 N HN 0.220 nan 8.380 nan 0.000 0.434 83 D N -0.623 119.771 120.400 -0.010 0.000 2.312 83 D HA -0.014 4.626 4.640 0.000 0.000 0.211 83 D C 1.253 177.544 176.300 -0.015 0.000 0.964 83 D CA 0.556 54.547 54.000 -0.015 0.000 0.877 83 D CB 0.413 41.204 40.800 -0.015 0.000 0.924 83 D HN 0.130 nan 8.370 nan 0.000 0.515 84 V N -1.029 118.878 119.914 -0.012 0.000 3.432 84 V HA 0.485 4.605 4.120 0.000 0.000 0.298 84 V C 0.999 177.086 176.094 -0.011 0.000 1.464 84 V CA 0.491 62.784 62.300 -0.010 0.000 1.046 84 V CB 0.884 32.703 31.823 -0.006 0.000 0.887 84 V HN 0.164 nan 8.190 nan 0.000 0.441 85 A N -0.669 122.143 122.820 -0.013 0.000 2.732 85 A HA 0.540 4.860 4.320 0.000 0.000 0.201 85 A C 1.541 179.114 177.584 -0.019 0.000 1.390 85 A CA 0.694 52.723 52.037 -0.014 0.000 1.064 85 A CB 0.239 19.233 19.000 -0.010 0.000 1.348 85 A HN 1.279 nan 8.150 nan 0.000 0.565 86 G N -0.274 108.514 108.800 -0.019 0.000 2.225 86 G HA2 -0.087 3.873 3.960 0.000 0.000 0.267 86 G HA3 -0.087 3.873 3.960 0.000 0.000 0.267 86 G C -0.203 174.684 174.900 -0.023 0.000 1.024 86 G CA 1.170 46.255 45.100 -0.025 0.000 0.784 86 G HN 1.096 nan 8.290 nan 0.000 0.507 87 D N -3.347 117.046 120.400 -0.013 0.000 2.913 87 D HA 0.545 5.185 4.640 0.000 0.000 0.293 87 D C 0.807 177.104 176.300 -0.004 0.000 1.238 87 D CA 1.342 55.337 54.000 -0.008 0.000 0.738 87 D CB -0.236 40.556 40.800 -0.013 0.000 1.254 87 D HN 1.458 nan 8.370 nan 0.000 0.429 88 G N -0.028 108.771 108.800 -0.002 0.000 2.147 88 G HA2 -0.286 3.675 3.960 0.000 0.000 0.244 88 G HA3 -0.286 3.675 3.960 0.000 0.000 0.244 88 G C 0.962 175.863 174.900 0.001 0.000 1.005 88 G CA 1.209 46.308 45.100 -0.001 0.000 0.713 88 G HN 0.605 nan 8.290 nan 0.000 0.515 89 T N -0.852 113.703 114.554 0.003 0.000 2.851 89 T HA -0.007 4.343 4.350 0.000 0.000 0.262 89 T C 2.590 177.292 174.700 0.004 0.000 1.043 89 T CA 2.609 64.711 62.100 0.004 0.000 1.140 89 T CB -0.202 68.670 68.868 0.006 0.000 0.872 89 T HN 0.364 nan 8.240 nan 0.000 0.446 90 T N 1.119 115.676 114.554 0.004 0.000 2.737 90 T HA -0.077 4.273 4.350 0.000 0.000 0.265 90 T C 2.105 176.807 174.700 0.003 0.000 1.038 90 T CA 1.828 63.931 62.100 0.004 0.000 1.144 90 T CB -0.791 68.079 68.868 0.004 0.000 0.866 90 T HN 0.378 nan 8.240 nan 0.000 0.434 91 T N 1.839 116.394 114.554 0.002 0.000 2.759 91 T HA -0.097 4.253 4.350 0.000 0.000 0.269 91 T C 2.258 176.959 174.700 0.002 0.000 1.042 91 T CA 1.255 63.355 62.100 0.001 0.000 1.140 91 T CB -0.480 68.388 68.868 -0.000 0.000 0.864 91 T HN 0.429 nan 8.240 nan 0.000 0.455 92 A N 0.809 123.630 122.820 0.002 0.000 1.969 92 A HA -0.089 4.231 4.320 0.000 0.000 0.218 92 A C 2.515 180.100 177.584 0.003 0.000 1.169 92 A CA 1.956 53.994 52.037 0.002 0.000 0.635 92 A CB -0.985 18.016 19.000 0.002 0.000 0.810 92 A HN 0.491 nan 8.150 nan 0.000 0.445 93 T N -0.329 114.226 114.554 0.003 0.000 2.701 93 T HA -0.119 4.231 4.350 0.000 0.000 0.263 93 T C 1.904 176.607 174.700 0.003 0.000 1.040 93 T CA 1.539 63.640 62.100 0.003 0.000 1.147 93 T CB -0.570 68.299 68.868 0.003 0.000 0.865 93 T HN 0.133 nan 8.240 nan 0.000 0.426 94 V N 1.881 121.797 119.914 0.004 0.000 2.250 94 V HA -0.206 3.914 4.120 0.000 0.000 0.250 94 V C 2.565 178.662 176.094 0.005 0.000 1.060 94 V CA 1.762 64.064 62.300 0.005 0.000 1.030 94 V CB -0.818 31.008 31.823 0.005 0.000 0.643 94 V HN 0.438 nan 8.190 nan 0.000 0.445 95 L N -0.152 121.074 121.223 0.005 0.000 2.042 95 L HA -0.208 4.132 4.340 0.000 0.000 0.210 95 L C 2.699 179.572 176.870 0.005 0.000 1.076 95 L CA 1.683 56.526 54.840 0.005 0.000 0.749 95 L CB -0.863 41.199 42.059 0.005 0.000 0.893 95 L HN 0.393 nan 8.230 nan 0.000 0.432 96 A N -0.645 122.178 122.820 0.004 0.000 1.898 96 A HA -0.266 4.054 4.320 0.000 0.000 0.216 96 A C 2.277 179.864 177.584 0.004 0.000 1.181 96 A CA 1.707 53.746 52.037 0.004 0.000 0.620 96 A CB -0.552 18.450 19.000 0.003 0.000 0.819 96 A HN 0.480 nan 8.150 nan 0.000 0.442 97 Q N -0.428 119.374 119.800 0.004 0.000 2.014 97 Q HA -0.213 4.127 4.340 0.000 0.000 0.207 97 Q C 2.282 178.285 176.000 0.005 0.000 0.993 97 Q CA 2.017 57.822 55.803 0.004 0.000 0.850 97 Q CB -0.400 28.341 28.738 0.004 0.000 0.916 97 Q HN 0.602 nan 8.270 nan 0.000 0.417 98 A N 1.049 123.873 122.820 0.006 0.000 1.859 98 A HA -0.238 4.082 4.320 0.000 0.000 0.217 98 A C 2.040 179.628 177.584 0.006 0.000 1.198 98 A CA 1.883 53.924 52.037 0.006 0.000 0.629 98 A CB -1.055 17.949 19.000 0.007 0.000 0.830 98 A HN 0.544 nan 8.150 nan 0.000 0.446 99 I N -0.269 120.305 120.570 0.006 0.000 2.248 99 I HA -0.264 3.906 4.170 0.000 0.000 0.248 99 I C 2.338 178.458 176.117 0.006 0.000 1.107 99 I CA 1.461 62.765 61.300 0.006 0.000 1.373 99 I CB -0.535 37.468 38.000 0.006 0.000 1.055 99 I HN 0.184 nan 8.210 nan 0.000 0.418 100 V N 0.562 120.479 119.914 0.006 0.000 2.307 100 V HA -0.260 3.860 4.120 0.000 0.000 0.245 100 V C 2.602 178.700 176.094 0.006 0.000 1.045 100 V CA 1.760 64.063 62.300 0.006 0.000 1.024 100 V CB -0.754 31.072 31.823 0.005 0.000 0.651 100 V HN 0.374 nan 8.190 nan 0.000 0.449 101 R N 0.150 120.654 120.500 0.006 0.000 2.127 101 R HA -0.197 4.143 4.340 0.000 0.000 0.228 101 R C 2.474 178.778 176.300 0.007 0.000 1.125 101 R CA 2.107 58.211 56.100 0.006 0.000 0.904 101 R CB -0.374 29.930 30.300 0.006 0.000 0.831 101 R HN 0.454 nan 8.270 nan 0.000 0.431 102 E N -0.460 119.744 120.200 0.007 0.000 2.114 102 E HA -0.191 4.159 4.350 0.000 0.000 0.199 102 E C 1.899 178.503 176.600 0.007 0.000 1.008 102 E CA 1.540 57.944 56.400 0.007 0.000 0.810 102 E CB -0.718 28.986 29.700 0.007 0.000 0.739 102 E HN 0.654 nan 8.360 nan 0.000 0.456 103 G N 1.229 110.033 108.800 0.007 0.000 2.433 103 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 103 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 103 G C 1.758 176.663 174.900 0.008 0.000 1.186 103 G CA 0.753 45.858 45.100 0.007 0.000 0.779 103 G HN 0.208 nan 8.290 nan 0.000 0.543 104 L N 0.182 121.410 121.223 0.008 0.000 2.141 104 L HA -0.017 4.323 4.340 0.000 0.000 0.209 104 L C 2.781 179.656 176.870 0.009 0.000 1.094 104 L CA 1.357 56.202 54.840 0.009 0.000 0.763 104 L CB -0.340 41.725 42.059 0.010 0.000 0.908 104 L HN 0.266 nan 8.230 nan 0.000 0.437 105 K N 0.552 120.957 120.400 0.008 0.000 1.991 105 K HA -0.206 4.114 4.320 0.000 0.000 0.212 105 K C 1.937 178.541 176.600 0.008 0.000 1.049 105 K CA 1.718 58.010 56.287 0.008 0.000 0.932 105 K CB -0.065 32.440 32.500 0.007 0.000 0.717 105 K HN 0.286 nan 8.250 nan 0.000 0.441 106 N N 0.360 119.064 118.700 0.007 0.000 2.223 106 N HA -0.136 4.604 4.740 0.000 0.000 0.185 106 N C 1.794 177.309 175.510 0.008 0.000 1.016 106 N CA 1.288 54.342 53.050 0.007 0.000 0.863 106 N CB -0.007 38.484 38.487 0.007 0.000 0.983 106 N HN 0.066 nan 8.380 nan 0.000 0.429 107 V N 1.501 121.420 119.914 0.009 0.000 2.515 107 V HA -0.132 3.988 4.120 0.000 0.000 0.250 107 V C 2.346 178.446 176.094 0.010 0.000 1.058 107 V CA 1.592 63.898 62.300 0.010 0.000 1.064 107 V CB -0.658 31.172 31.823 0.012 0.000 0.675 107 V HN 0.265 nan 8.190 nan 0.000 0.461 108 A N -0.298 122.528 122.820 0.010 0.000 2.119 108 A HA 0.181 4.501 4.320 0.000 0.000 0.217 108 A C 2.150 179.740 177.584 0.008 0.000 1.153 108 A CA 1.361 53.404 52.037 0.010 0.000 0.692 108 A CB -0.333 18.673 19.000 0.010 0.000 0.799 108 A HN 0.543 nan 8.150 nan 0.000 0.458 109 A N -2.043 120.782 122.820 0.008 0.000 2.275 109 A HA 0.455 4.775 4.320 0.000 0.000 0.212 109 A C 1.565 179.152 177.584 0.006 0.000 1.201 109 A CA 1.112 53.153 52.037 0.006 0.000 0.843 109 A CB -0.452 18.551 19.000 0.006 0.000 0.873 109 A HN 1.668 nan 8.150 nan 0.000 0.492 110 G N -2.105 106.699 108.800 0.007 0.000 2.192 110 G HA2 0.178 4.138 3.960 0.000 0.000 0.193 110 G HA3 0.178 4.138 3.960 0.000 0.000 0.193 110 G C 0.418 175.322 174.900 0.006 0.000 0.999 110 G CA 0.021 45.125 45.100 0.006 0.000 0.659 110 G HN 1.432 nan 8.290 nan 0.000 0.503 111 A N 0.021 122.845 122.820 0.007 0.000 2.445 111 A HA 0.589 4.909 4.320 0.000 0.000 0.242 111 A C 0.444 178.033 177.584 0.008 0.000 1.075 111 A CA 0.574 52.615 52.037 0.007 0.000 0.777 111 A CB 0.276 19.280 19.000 0.007 0.000 1.013 111 A HN 0.904 nan 8.150 nan 0.000 0.493 112 N N 1.882 120.586 118.700 0.007 0.000 2.430 112 N HA 0.301 5.041 4.740 0.000 0.000 0.265 112 N C -1.962 173.553 175.510 0.008 0.000 1.100 112 N CA -1.779 51.275 53.050 0.008 0.000 0.961 112 N CB 1.023 39.514 38.487 0.007 0.000 1.075 112 N HN 0.180 nan 8.380 nan 0.000 0.478 113 P HA -0.169 nan 4.420 nan 0.000 0.214 113 P C 1.324 178.629 177.300 0.008 0.000 1.163 113 P CA 1.294 64.400 63.100 0.010 0.000 0.889 113 P CB 0.189 31.896 31.700 0.012 0.000 0.790 114 L N -0.926 120.302 121.223 0.008 0.000 1.990 114 L HA -0.239 4.101 4.340 0.000 0.000 0.213 114 L C 2.539 179.412 176.870 0.006 0.000 1.072 114 L CA 1.977 56.821 54.840 0.007 0.000 0.755 114 L CB -1.556 40.507 42.059 0.007 0.000 0.889 114 L HN -0.029 nan 8.230 nan 0.000 0.432 115 A N 0.241 123.065 122.820 0.006 0.000 1.908 115 A HA -0.190 4.130 4.320 0.000 0.000 0.218 115 A C 2.290 179.877 177.584 0.005 0.000 1.181 115 A CA 1.593 53.633 52.037 0.005 0.000 0.627 115 A CB -0.768 18.235 19.000 0.005 0.000 0.818 115 A HN 0.380 nan 8.150 nan 0.000 0.445 116 L N -0.845 120.382 121.223 0.006 0.000 2.046 116 L HA -0.229 4.111 4.340 0.000 0.000 0.208 116 L C 2.640 179.513 176.870 0.006 0.000 1.077 116 L CA 2.025 56.868 54.840 0.006 0.000 0.747 116 L CB -0.448 41.615 42.059 0.007 0.000 0.896 116 L HN 0.508 nan 8.230 nan 0.000 0.432 117 K N 0.568 120.971 120.400 0.006 0.000 1.973 117 K HA -0.198 4.122 4.320 0.000 0.000 0.212 117 K C 2.251 178.854 176.600 0.005 0.000 1.047 117 K CA 1.434 57.724 56.287 0.005 0.000 0.937 117 K CB -0.052 32.451 32.500 0.005 0.000 0.721 117 K HN 0.110 nan 8.250 nan 0.000 0.440 118 R N -0.383 120.120 120.500 0.004 0.000 2.140 118 R HA -0.186 4.154 4.340 0.000 0.000 0.250 118 R C 2.464 178.766 176.300 0.004 0.000 1.150 118 R CA 1.679 57.781 56.100 0.004 0.000 0.966 118 R CB -0.790 29.513 30.300 0.004 0.000 0.869 118 R HN 0.458 nan 8.270 nan 0.000 0.445 119 G N 0.788 109.591 108.800 0.005 0.000 2.403 119 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 119 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 119 G C 1.460 176.363 174.900 0.005 0.000 1.154 119 G CA 0.413 45.516 45.100 0.005 0.000 0.784 119 G HN 0.175 nan 8.290 nan 0.000 0.538 120 I N 0.695 121.268 120.570 0.005 0.000 2.286 120 I HA -0.133 4.037 4.170 0.000 0.000 0.248 120 I C 2.694 178.814 176.117 0.005 0.000 1.115 120 I CA 1.066 62.369 61.300 0.005 0.000 1.392 120 I CB -0.232 37.771 38.000 0.005 0.000 1.065 120 I HN 0.292 nan 8.210 nan 0.000 0.418 121 E N 1.300 121.502 120.200 0.004 0.000 2.015 121 E HA -0.202 4.148 4.350 0.000 0.000 0.191 121 E C 2.133 178.736 176.600 0.004 0.000 0.991 121 E CA 1.031 57.433 56.400 0.004 0.000 0.802 121 E CB -0.148 29.554 29.700 0.003 0.000 0.759 121 E HN 0.432 nan 8.360 nan 0.000 0.447 122 K N 0.878 121.280 120.400 0.004 0.000 2.074 122 K HA -0.193 4.127 4.320 0.000 0.000 0.209 122 K C 2.273 178.877 176.600 0.005 0.000 1.048 122 K CA 1.241 57.531 56.287 0.004 0.000 0.926 122 K CB -0.274 32.229 32.500 0.004 0.000 0.713 122 K HN 0.081 nan 8.250 nan 0.000 0.444 123 A N 1.235 124.059 122.820 0.006 0.000 1.858 123 A HA -0.142 4.178 4.320 0.000 0.000 0.216 123 A C 2.464 180.052 177.584 0.007 0.000 1.190 123 A CA 1.609 53.650 52.037 0.006 0.000 0.617 123 A CB -0.795 18.209 19.000 0.007 0.000 0.827 123 A HN 0.078 nan 8.150 nan 0.000 0.443 124 V N 0.125 120.043 119.914 0.006 0.000 2.255 124 V HA -0.317 3.803 4.120 0.000 0.000 0.247 124 V C 2.420 178.518 176.094 0.006 0.000 1.051 124 V CA 2.413 64.716 62.300 0.006 0.000 1.018 124 V CB -0.966 30.860 31.823 0.005 0.000 0.641 124 V HN 0.650 nan 8.190 nan 0.000 0.445 125 E N 0.195 120.398 120.200 0.005 0.000 2.055 125 E HA -0.340 4.010 4.350 0.000 0.000 0.209 125 E C 2.327 178.931 176.600 0.006 0.000 1.036 125 E CA 1.711 58.114 56.400 0.005 0.000 0.849 125 E CB -0.481 29.221 29.700 0.005 0.000 0.767 125 E HN 0.587 nan 8.360 nan 0.000 0.461 126 A N 1.220 124.044 122.820 0.006 0.000 1.958 126 A HA -0.251 4.069 4.320 0.000 0.000 0.221 126 A C 2.357 179.946 177.584 0.008 0.000 1.178 126 A CA 2.240 54.281 52.037 0.007 0.000 0.642 126 A CB -0.787 18.218 19.000 0.007 0.000 0.816 126 A HN 0.357 nan 8.150 nan 0.000 0.453 127 A N -0.782 122.043 122.820 0.008 0.000 1.873 127 A HA 0.035 4.355 4.320 0.000 0.000 0.215 127 A C 2.248 179.838 177.584 0.009 0.000 1.186 127 A CA 1.729 53.772 52.037 0.009 0.000 0.616 127 A CB -0.976 18.029 19.000 0.009 0.000 0.823 127 A HN 0.421 nan 8.150 nan 0.000 0.442 128 V N 0.106 120.024 119.914 0.007 0.000 2.287 128 V HA -0.303 3.817 4.120 0.000 0.000 0.248 128 V C 2.521 178.619 176.094 0.007 0.000 1.053 128 V CA 2.401 64.705 62.300 0.007 0.000 1.027 128 V CB -0.829 30.998 31.823 0.006 0.000 0.646 128 V HN 0.779 nan 8.190 nan 0.000 0.447 129 E N 0.148 120.352 120.200 0.007 0.000 2.171 129 E HA -0.335 4.015 4.350 0.000 0.000 0.197 129 E C 2.129 178.735 176.600 0.009 0.000 0.997 129 E CA 1.800 58.205 56.400 0.007 0.000 0.810 129 E CB -0.041 29.664 29.700 0.007 0.000 0.738 129 E HN 0.505 nan 8.360 nan 0.000 0.467 130 K N 0.563 120.968 120.400 0.010 0.000 2.116 130 K HA -0.039 4.281 4.320 0.000 0.000 0.203 130 K C 1.820 178.427 176.600 0.012 0.000 1.052 130 K CA 1.049 57.343 56.287 0.012 0.000 0.952 130 K CB -0.178 32.330 32.500 0.013 0.000 0.729 130 K HN 0.182 nan 8.250 nan 0.000 0.446 131 I N 0.807 121.384 120.570 0.011 0.000 2.163 131 I HA -0.329 3.841 4.170 0.000 0.000 0.243 131 I C 2.118 178.240 176.117 0.009 0.000 1.085 131 I CA 1.455 62.761 61.300 0.010 0.000 1.347 131 I CB -0.309 37.696 38.000 0.008 0.000 1.044 131 I HN 0.154 nan 8.210 nan 0.000 0.408 132 K N 1.226 121.631 120.400 0.008 0.000 1.978 132 K HA -0.153 4.167 4.320 0.000 0.000 0.214 132 K C 2.172 178.777 176.600 0.008 0.000 1.049 132 K CA 1.696 57.988 56.287 0.007 0.000 0.939 132 K CB -0.462 32.042 32.500 0.007 0.000 0.721 132 K HN 0.291 nan 8.250 nan 0.000 0.441 133 A N 0.824 123.650 122.820 0.009 0.000 2.234 133 A HA -0.127 4.193 4.320 0.000 0.000 0.216 133 A C 1.767 179.358 177.584 0.011 0.000 1.167 133 A CA 1.101 53.144 52.037 0.010 0.000 0.698 133 A CB -0.231 18.775 19.000 0.010 0.000 0.779 133 A HN 0.234 nan 8.150 nan 0.000 0.475 134 L N -2.052 119.179 121.223 0.012 0.000 2.731 134 L HA 0.491 4.831 4.340 0.000 0.000 0.240 134 L C 1.071 177.948 176.870 0.013 0.000 1.120 134 L CA 0.616 55.464 54.840 0.014 0.000 0.913 134 L CB -0.085 41.984 42.059 0.017 0.000 1.213 134 L HN 0.236 nan 8.230 nan 0.000 0.515 135 A N 0.339 123.165 122.820 0.010 0.000 2.363 135 A HA 0.506 4.826 4.320 0.000 0.000 0.270 135 A C -0.123 177.466 177.584 0.007 0.000 1.121 135 A CA -0.306 51.736 52.037 0.008 0.000 0.800 135 A CB -0.127 18.876 19.000 0.006 0.000 1.052 135 A HN 0.207 nan 8.150 nan 0.000 0.493 136 I N 3.675 124.249 120.570 0.007 0.000 2.371 136 I HA 0.225 4.395 4.170 0.000 0.000 0.290 136 I C -2.089 174.030 176.117 0.004 0.000 1.028 136 I CA -1.797 59.506 61.300 0.006 0.000 1.345 136 I CB 1.393 39.396 38.000 0.006 0.000 1.407 136 I HN 0.427 nan 8.210 nan 0.000 0.501 137 P HA 0.112 nan 4.420 nan 0.000 0.271 137 P C -0.838 176.463 177.300 0.002 0.000 1.216 137 P CA -0.145 62.956 63.100 0.003 0.000 0.776 137 P CB 0.792 32.494 31.700 0.003 0.000 0.881 138 V N 4.022 123.936 119.914 0.001 0.000 2.305 138 V HA 0.204 4.324 4.120 0.000 0.000 0.275 138 V C 0.573 176.667 176.094 -0.000 0.000 1.020 138 V CA 0.124 62.423 62.300 -0.000 0.000 0.811 138 V CB 0.553 32.374 31.823 -0.002 0.000 1.031 138 V HN 0.626 nan 8.190 nan 0.000 0.439 139 E N 0.811 121.011 120.200 0.000 0.000 2.603 139 E HA 0.135 4.485 4.350 0.000 0.000 0.218 139 E C -0.136 176.465 176.600 0.001 0.000 0.878 139 E CA -0.414 55.986 56.400 0.001 0.000 1.348 139 E CB 0.841 30.541 29.700 0.002 0.000 1.318 139 E HN 0.607 nan 8.360 nan 0.000 0.673 140 D N 1.289 121.689 120.400 0.001 0.000 2.372 140 D HA 0.004 4.644 4.640 0.000 0.000 0.243 140 D C 1.159 177.459 176.300 0.000 0.000 1.297 140 D CA 0.194 54.194 54.000 0.000 0.000 0.958 140 D CB 1.033 41.833 40.800 0.000 0.000 1.114 140 D HN -0.069 nan 8.370 nan 0.000 0.496 141 R N 0.889 121.389 120.500 -0.000 0.000 2.055 141 R HA -0.053 4.287 4.340 0.000 0.000 0.226 141 R C 1.760 178.059 176.300 -0.002 0.000 1.135 141 R CA 1.530 57.630 56.100 -0.000 0.000 0.959 141 R CB -0.223 30.077 30.300 -0.000 0.000 0.854 141 R HN 0.258 nan 8.270 nan 0.000 0.431 142 K N 0.358 120.757 120.400 -0.002 0.000 2.063 142 K HA -0.075 4.245 4.320 0.000 0.000 0.208 142 K C 2.091 178.689 176.600 -0.003 0.000 1.048 142 K CA 1.441 57.726 56.287 -0.003 0.000 0.928 142 K CB -0.332 32.167 32.500 -0.002 0.000 0.713 142 K HN 0.288 nan 8.250 nan 0.000 0.442 143 A N 2.129 124.948 122.820 -0.002 0.000 1.837 143 A HA -0.231 4.089 4.320 0.000 0.000 0.216 143 A C 2.155 179.737 177.584 -0.004 0.000 1.210 143 A CA 1.814 53.849 52.037 -0.002 0.000 0.632 143 A CB -0.986 18.014 19.000 -0.001 0.000 0.843 143 A HN 0.219 nan 8.150 nan 0.000 0.448 144 I N -0.614 119.954 120.570 -0.005 0.000 2.236 144 I HA -0.331 3.839 4.170 0.000 0.000 0.249 144 I C 2.636 178.747 176.117 -0.010 0.000 1.102 144 I CA 2.082 63.378 61.300 -0.007 0.000 1.365 144 I CB -0.477 37.519 38.000 -0.005 0.000 1.051 144 I HN 0.605 nan 8.210 nan 0.000 0.420 145 E N 1.053 121.247 120.200 -0.010 0.000 2.028 145 E HA -0.222 4.128 4.350 0.000 0.000 0.191 145 E C 2.069 178.661 176.600 -0.014 0.000 0.988 145 E CA 1.204 57.595 56.400 -0.014 0.000 0.799 145 E CB 0.063 29.756 29.700 -0.012 0.000 0.755 145 E HN 0.494 nan 8.360 nan 0.000 0.447 146 E N 0.078 120.272 120.200 -0.009 0.000 2.058 146 E HA -0.201 4.149 4.350 0.000 0.000 0.194 146 E C 2.239 178.835 176.600 -0.007 0.000 0.997 146 E CA 1.435 57.830 56.400 -0.007 0.000 0.801 146 E CB -0.050 29.647 29.700 -0.005 0.000 0.746 146 E HN 0.125 nan 8.360 nan 0.000 0.450 147 V N 1.595 121.505 119.914 -0.008 0.000 2.219 147 V HA -0.348 3.772 4.120 0.000 0.000 0.248 147 V C 2.402 178.491 176.094 -0.008 0.000 1.053 147 V CA 2.162 64.458 62.300 -0.008 0.000 1.009 147 V CB -0.881 30.937 31.823 -0.008 0.000 0.636 147 V HN 0.381 nan 8.190 nan 0.000 0.445 148 A N -0.614 122.199 122.820 -0.012 0.000 1.908 148 A HA -0.262 4.058 4.320 0.000 0.000 0.218 148 A C 2.363 179.941 177.584 -0.009 0.000 1.181 148 A CA 2.640 54.669 52.037 -0.014 0.000 0.627 148 A CB -1.116 17.868 19.000 -0.027 0.000 0.818 148 A HN 0.551 nan 8.150 nan 0.000 0.445 149 T N 0.497 115.043 114.554 -0.013 0.000 2.699 149 T HA -0.166 4.184 4.350 0.000 0.000 0.268 149 T C 1.780 176.484 174.700 0.008 0.000 1.036 149 T CA 1.702 63.797 62.100 -0.008 0.000 1.147 149 T CB -0.464 68.399 68.868 -0.009 0.000 0.862 149 T HN 0.476 nan 8.240 nan 0.000 0.446 150 I N 1.628 122.200 120.570 0.004 0.000 2.133 150 I HA -0.148 4.022 4.170 0.000 0.000 0.238 150 I C 2.692 178.817 176.117 0.014 0.000 1.074 150 I CA 1.302 62.606 61.300 0.006 0.000 1.342 150 I CB -0.616 37.383 38.000 -0.002 0.000 1.053 150 I HN 0.242 nan 8.210 nan 0.000 0.404 151 S N 1.246 116.952 115.700 0.011 0.000 2.493 151 S HA -0.106 4.364 4.470 0.000 0.000 0.243 151 S C 1.815 176.441 174.600 0.043 0.000 0.991 151 S CA 1.058 59.267 58.200 0.014 0.000 0.957 151 S CB -0.415 62.787 63.200 0.004 0.000 0.756 151 S HN 0.531 nan 8.310 nan 0.000 0.521 152 A N 1.397 124.259 122.820 0.069 0.000 2.108 152 A HA 0.345 4.665 4.320 0.000 0.000 0.206 152 A C 0.918 178.595 177.584 0.155 0.000 1.212 152 A CA 0.272 52.404 52.037 0.159 0.000 0.843 152 A CB -0.377 18.719 19.000 0.160 0.000 0.902 152 A HN 0.567 nan 8.150 nan 0.000 0.477 153 N N 0.044 118.796 118.700 0.086 0.000 2.780 153 N HA -0.164 4.576 4.740 0.000 0.000 0.247 153 N C -1.440 174.127 175.510 0.095 0.000 1.076 153 N CA 0.750 53.841 53.050 0.068 0.000 0.688 153 N CB -0.636 37.883 38.487 0.054 0.000 0.957 153 N HN 0.448 nan 8.380 nan 0.000 0.551 154 D N -0.702 119.746 120.400 0.079 0.000 2.369 154 D HA 0.120 4.760 4.640 0.000 0.000 0.212 154 D C -1.991 174.310 176.300 0.001 0.000 1.326 154 D CA -0.927 53.110 54.000 0.062 0.000 0.933 154 D CB 1.489 42.362 40.800 0.122 0.000 1.516 154 D HN 0.027 nan 8.370 nan 0.000 0.557 155 P HA -0.123 nan 4.420 nan 0.000 0.220 155 P C 0.891 178.168 177.300 -0.037 0.000 1.148 155 P CA 0.992 64.082 63.100 -0.016 0.000 0.803 155 P CB 0.878 32.573 31.700 -0.007 0.000 0.782 156 E N 0.144 120.316 120.200 -0.046 0.000 2.008 156 E HA -0.081 4.270 4.350 0.000 0.000 0.191 156 E C 2.195 178.719 176.600 -0.126 0.000 0.986 156 E CA 1.061 57.420 56.400 -0.069 0.000 0.807 156 E CB -0.726 28.939 29.700 -0.059 0.000 0.766 156 E HN 0.009 nan 8.360 nan 0.000 0.450 157 V N 1.521 121.305 119.914 -0.217 0.000 2.546 157 V HA -0.226 3.894 4.120 0.000 0.000 0.254 157 V C 2.317 178.282 176.094 -0.215 0.000 1.076 157 V CA 1.876 63.958 62.300 -0.364 0.000 1.087 157 V CB -1.225 30.139 31.823 -0.764 0.000 0.674 157 V HN 0.424 nan 8.190 nan 0.000 0.470 158 G N -0.292 108.430 108.800 -0.130 0.000 2.421 158 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 158 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 158 G C 1.689 176.550 174.900 -0.066 0.000 1.171 158 G CA 0.652 45.706 45.100 -0.077 0.000 0.775 158 G HN 0.348 nan 8.290 nan 0.000 0.543 159 K N 0.296 120.660 120.400 -0.060 0.000 1.991 159 K HA -0.006 4.314 4.320 0.000 0.000 0.212 159 K C 2.634 179.209 176.600 -0.040 0.000 1.049 159 K CA 0.888 57.151 56.287 -0.040 0.000 0.932 159 K CB -0.915 31.565 32.500 -0.033 0.000 0.717 159 K HN 0.344 nan 8.250 nan 0.000 0.441 160 L N 0.723 121.907 121.223 -0.065 0.000 1.997 160 L HA -0.249 4.091 4.340 0.000 0.000 0.216 160 L C 2.545 179.378 176.870 -0.062 0.000 1.074 160 L CA 1.467 56.270 54.840 -0.062 0.000 0.763 160 L CB -0.632 41.360 42.059 -0.112 0.000 0.890 160 L HN 0.168 nan 8.230 nan 0.000 0.434 161 I N -0.233 120.283 120.570 -0.091 0.000 2.264 161 I HA -0.316 3.854 4.170 0.000 0.000 0.248 161 I C 2.822 178.914 176.117 -0.040 0.000 1.111 161 I CA 1.206 62.461 61.300 -0.075 0.000 1.382 161 I CB -0.542 37.410 38.000 -0.079 0.000 1.060 161 I HN 0.257 nan 8.210 nan 0.000 0.418 162 A N 0.795 123.598 122.820 -0.029 0.000 1.858 162 A HA -0.227 4.093 4.320 0.000 0.000 0.216 162 A C 2.016 179.608 177.584 0.014 0.000 1.190 162 A CA 2.030 54.062 52.037 -0.010 0.000 0.617 162 A CB -0.640 18.354 19.000 -0.010 0.000 0.827 162 A HN 0.352 nan 8.150 nan 0.000 0.443 163 D N 0.262 120.679 120.400 0.028 0.000 2.092 163 D HA -0.130 4.510 4.640 0.000 0.000 0.193 163 D C 2.279 178.659 176.300 0.135 0.000 0.994 163 D CA 1.691 55.738 54.000 0.079 0.000 0.828 163 D CB -0.674 40.184 40.800 0.097 0.000 0.963 163 D HN 0.415 nan 8.370 nan 0.000 0.450 164 A N 1.087 123.955 122.820 0.080 0.000 1.927 164 A HA -0.242 4.078 4.320 0.000 0.000 0.220 164 A C 2.325 179.926 177.584 0.029 0.000 1.185 164 A CA 1.986 54.024 52.037 0.002 0.000 0.639 164 A CB -0.650 18.270 19.000 -0.133 0.000 0.820 164 A HN 0.197 nan 8.150 nan 0.000 0.451 165 M N -1.317 118.293 119.600 0.017 0.000 2.156 165 M HA -0.106 4.374 4.480 0.000 0.000 0.264 165 M C 2.085 178.411 176.300 0.043 0.000 1.067 165 M CA 1.222 56.532 55.300 0.016 0.000 1.131 165 M CB -0.522 32.078 32.600 0.000 0.000 1.368 165 M HN 0.385 nan 8.290 nan 0.000 0.416 166 E N 1.135 121.366 120.200 0.052 0.000 2.086 166 E HA -0.227 4.123 4.350 0.000 0.000 0.200 166 E C 1.880 178.519 176.600 0.066 0.000 1.012 166 E CA 1.605 58.035 56.400 0.050 0.000 0.812 166 E CB -0.215 29.512 29.700 0.046 0.000 0.743 166 E HN 0.579 nan 8.360 nan 0.000 0.453 167 K N 0.034 120.509 120.400 0.126 0.000 2.078 167 K HA 0.018 4.338 4.320 0.000 0.000 0.203 167 K C 2.279 178.973 176.600 0.157 0.000 1.043 167 K CA 0.790 57.167 56.287 0.150 0.000 0.960 167 K CB -0.021 32.621 32.500 0.236 0.000 0.761 167 K HN -0.077 nan 8.250 nan 0.000 0.448 168 V N 0.923 120.946 119.914 0.182 0.000 2.626 168 V HA -0.033 4.087 4.120 0.000 0.000 0.252 168 V C 1.056 177.182 176.094 0.054 0.000 1.067 168 V CA 1.054 63.419 62.300 0.109 0.000 1.081 168 V CB -1.173 30.678 31.823 0.048 0.000 0.686 168 V HN 0.649 nan 8.190 nan 0.000 0.468 169 G N -0.042 108.784 108.800 0.044 0.000 2.712 169 G HA2 -0.195 3.765 3.960 0.000 0.000 0.683 169 G HA3 -0.195 3.765 3.960 0.000 0.000 0.683 169 G C 0.247 175.152 174.900 0.009 0.000 1.320 169 G CA 0.078 45.192 45.100 0.023 0.000 0.847 169 G HN 0.193 nan 8.290 nan 0.000 0.553 170 K N 0.223 120.626 120.400 0.004 0.000 1.991 170 K HA -0.093 4.227 4.320 0.000 0.000 0.212 170 K C 1.840 178.435 176.600 -0.008 0.000 1.049 170 K CA 1.955 58.241 56.287 -0.002 0.000 0.932 170 K CB -0.092 32.407 32.500 -0.001 0.000 0.717 170 K HN 0.630 nan 8.250 nan 0.000 0.441 171 E N 0.793 120.988 120.200 -0.009 0.000 2.359 171 E HA 0.047 4.397 4.350 0.000 0.000 0.187 171 E C 0.629 177.215 176.600 -0.022 0.000 1.081 171 E CA -0.467 55.923 56.400 -0.017 0.000 0.929 171 E CB 0.409 30.099 29.700 -0.017 0.000 1.086 171 E HN 0.279 nan 8.360 nan 0.000 0.462 172 G N 0.861 109.652 108.800 -0.015 0.000 2.535 172 G HA2 0.453 4.413 3.960 0.000 0.000 0.282 172 G HA3 0.453 4.413 3.960 0.000 0.000 0.282 172 G C -0.145 174.734 174.900 -0.034 0.000 1.350 172 G CA -0.594 44.497 45.100 -0.015 0.000 1.039 172 G HN 0.060 nan 8.290 nan 0.000 0.509 173 I N 0.260 120.808 120.570 -0.037 0.000 2.406 173 I HA 0.426 4.596 4.170 0.000 0.000 0.290 173 I C -0.587 175.485 176.117 -0.075 0.000 0.999 173 I CA -0.262 61.005 61.300 -0.054 0.000 1.124 173 I CB 1.739 39.710 38.000 -0.048 0.000 1.289 173 I HN 0.141 nan 8.210 nan 0.000 0.441 174 I N 4.853 125.377 120.570 -0.078 0.000 2.686 174 I HA 0.555 4.725 4.170 0.000 0.000 0.295 174 I C -0.660 175.409 176.117 -0.080 0.000 1.114 174 I CA -0.370 60.869 61.300 -0.102 0.000 1.038 174 I CB 2.625 40.568 38.000 -0.095 0.000 1.238 174 I HN 0.474 nan 8.210 nan 0.000 0.420 175 T N 3.546 118.049 114.554 -0.085 0.000 2.868 175 T HA 0.494 4.844 4.350 0.000 0.000 0.306 175 T C -0.973 173.700 174.700 -0.045 0.000 1.224 175 T CA -0.561 61.507 62.100 -0.055 0.000 1.012 175 T CB 2.639 71.481 68.868 -0.044 0.000 1.221 175 T HN 0.194 nan 8.240 nan 0.000 0.499 176 V N 2.580 122.485 119.914 -0.014 0.000 2.409 176 V HA 0.531 4.651 4.120 0.000 0.000 0.291 176 V C -0.541 175.566 176.094 0.021 0.000 1.020 176 V CA -0.725 61.585 62.300 0.015 0.000 0.848 176 V CB 1.531 33.387 31.823 0.056 0.000 0.990 176 V HN 0.741 nan 8.190 nan 0.000 0.430 177 E N 2.854 123.066 120.200 0.020 0.000 2.227 177 E HA 0.440 4.790 4.350 0.000 0.000 0.268 177 E C -0.703 175.916 176.600 0.033 0.000 0.907 177 E CA -0.942 55.469 56.400 0.019 0.000 0.786 177 E CB 2.263 31.965 29.700 0.005 0.000 1.191 177 E HN 0.615 nan 8.360 nan 0.000 0.411 178 E N 0.934 121.151 120.200 0.027 0.000 1.858 178 E HA 0.103 4.453 4.350 0.000 0.000 0.267 178 E C 0.151 176.765 176.600 0.023 0.000 1.215 178 E CA -0.014 56.403 56.400 0.028 0.000 0.952 178 E CB 0.444 30.155 29.700 0.019 0.000 1.058 178 E HN 0.259 nan 8.360 nan 0.000 0.407 179 S N 2.598 118.316 115.700 0.030 0.000 2.612 179 S HA 0.025 4.495 4.470 0.000 0.000 0.253 179 S C 0.898 175.509 174.600 0.019 0.000 1.346 179 S CA 0.058 58.272 58.200 0.023 0.000 0.976 179 S CB 0.627 63.844 63.200 0.029 0.000 0.949 179 S HN 0.507 nan 8.310 nan 0.000 0.584 180 K N 0.150 120.559 120.400 0.015 0.000 2.399 180 K HA 0.144 4.464 4.320 0.000 0.000 0.196 180 K C 0.565 177.173 176.600 0.014 0.000 1.103 180 K CA 0.080 56.374 56.287 0.012 0.000 0.986 180 K CB 0.250 32.754 32.500 0.008 0.000 0.952 180 K HN 0.644 nan 8.250 nan 0.000 0.541 181 S N 0.864 116.574 115.700 0.016 0.000 2.585 181 S HA 0.168 4.638 4.470 0.000 0.000 0.273 181 S C 0.901 175.515 174.600 0.022 0.000 1.339 181 S CA -0.538 57.672 58.200 0.017 0.000 1.028 181 S CB 0.585 63.795 63.200 0.017 0.000 0.906 181 S HN 0.151 nan 8.310 nan 0.000 0.528 182 L N 0.333 121.568 121.223 0.021 0.000 2.645 182 L HA 0.312 4.652 4.340 0.000 0.000 0.234 182 L C 0.572 177.460 176.870 0.031 0.000 1.165 182 L CA 0.335 55.190 54.840 0.025 0.000 0.944 182 L CB -0.836 41.234 42.059 0.019 0.000 1.149 182 L HN 0.712 nan 8.230 nan 0.000 0.446 183 E N -0.395 119.823 120.200 0.031 0.000 2.288 183 E HA 0.365 4.715 4.350 0.000 0.000 0.268 183 E C -0.752 175.870 176.600 0.036 0.000 0.885 183 E CA -0.557 55.862 56.400 0.032 0.000 0.767 183 E CB 2.296 32.009 29.700 0.021 0.000 1.220 183 E HN -0.120 nan 8.360 nan 0.000 0.427 184 T N 2.505 117.080 114.554 0.035 0.000 2.767 184 T HA 0.319 4.669 4.350 0.000 0.000 0.288 184 T C -0.519 174.176 174.700 -0.009 0.000 0.963 184 T CA -0.468 61.645 62.100 0.022 0.000 1.019 184 T CB 0.654 69.529 68.868 0.011 0.000 0.923 184 T HN 0.364 nan 8.240 nan 0.000 0.468 185 E N 1.453 121.648 120.200 -0.008 0.000 2.392 185 E HA 0.645 4.995 4.350 0.000 0.000 0.269 185 E C -1.411 175.180 176.600 -0.015 0.000 0.924 185 E CA -1.118 55.278 56.400 -0.007 0.000 0.784 185 E CB 1.935 31.642 29.700 0.011 0.000 1.292 185 E HN 0.274 nan 8.360 nan 0.000 0.447 186 L N 1.160 122.387 121.223 0.007 0.000 2.325 186 L HA 0.495 4.835 4.340 0.000 0.000 0.281 186 L C -1.526 175.392 176.870 0.081 0.000 1.004 186 L CA -0.202 54.641 54.840 0.004 0.000 0.823 186 L CB 0.781 42.859 42.059 0.032 0.000 1.236 186 L HN 0.430 nan 8.230 nan 0.000 0.415 187 K N 5.017 125.430 120.400 0.022 0.000 2.422 187 K HA 0.509 4.829 4.320 0.000 0.000 0.251 187 K C -1.464 175.177 176.600 0.068 0.000 0.933 187 K CA -0.372 55.989 56.287 0.124 0.000 0.798 187 K CB 1.970 34.507 32.500 0.061 0.000 1.238 187 K HN 0.313 nan 8.250 nan 0.000 0.428 188 F N 2.274 122.221 119.950 -0.005 0.000 2.359 188 F HA 0.198 4.725 4.527 0.000 0.000 0.355 188 F C 0.363 176.165 175.800 0.002 0.000 1.132 188 F CA -0.819 57.180 58.000 -0.001 0.000 1.246 188 F CB 0.186 39.185 39.000 -0.003 0.000 1.569 188 F HN 0.145 nan 8.300 nan 0.000 0.561 189 V N 0.928 120.899 119.914 0.095 0.000 3.698 189 V HA 0.238 4.358 4.120 0.000 0.000 0.280 189 V C 0.572 176.708 176.094 0.070 0.000 0.995 189 V CA -0.791 61.550 62.300 0.068 0.000 1.000 189 V CB 0.769 32.609 31.823 0.029 0.000 1.248 189 V HN 0.327 nan 8.190 nan 0.000 0.429 190 E N -0.052 120.180 120.200 0.053 0.000 2.222 190 E HA 0.731 5.081 4.350 0.000 0.000 0.267 190 E C 0.057 176.692 176.600 0.058 0.000 0.963 190 E CA 0.169 56.603 56.400 0.057 0.000 0.837 190 E CB 1.772 31.498 29.700 0.043 0.000 1.183 190 E HN 0.939 nan 8.360 nan 0.000 0.403 191 G N -0.134 108.717 108.800 0.084 0.000 2.333 191 G HA2 0.279 4.240 3.960 0.000 0.000 0.288 191 G HA3 0.279 4.240 3.960 0.000 0.000 0.288 191 G C -2.108 172.927 174.900 0.225 0.000 1.286 191 G CA -0.599 44.570 45.100 0.115 0.000 0.865 191 G HN 0.351 nan 8.290 nan 0.000 0.506 192 Y N -0.464 119.861 120.300 0.042 0.000 2.764 192 Y HA 0.774 5.324 4.550 0.000 0.000 0.331 192 Y C -1.208 174.757 175.900 0.108 0.000 1.280 192 Y CA -0.451 57.686 58.100 0.062 0.000 1.065 192 Y CB 2.221 40.711 38.460 0.050 0.000 1.319 192 Y HN 0.847 nan 8.280 nan 0.000 0.453 193 Q N 2.740 122.496 119.800 -0.073 0.000 2.507 193 Q HA 0.426 4.766 4.340 0.000 0.000 0.248 193 Q C -2.173 173.825 176.000 -0.003 0.000 0.941 193 Q CA -0.486 55.332 55.803 0.025 0.000 1.003 193 Q CB 1.508 30.207 28.738 -0.065 0.000 1.517 193 Q HN 0.586 nan 8.270 nan 0.000 0.443 194 F N 0.023 119.899 119.950 -0.124 0.000 2.611 194 F HA 0.640 5.168 4.527 0.000 0.000 0.324 194 F C -0.386 175.374 175.800 -0.067 0.000 1.061 194 F CA -1.157 56.779 58.000 -0.107 0.000 0.954 194 F CB 1.288 40.272 39.000 -0.028 0.000 1.301 194 F HN 0.219 nan 8.300 nan 0.000 0.482 195 D N 2.962 123.343 120.400 -0.031 0.000 2.558 195 D HA 0.248 4.888 4.640 0.000 0.000 0.221 195 D C -0.525 175.702 176.300 -0.123 0.000 1.143 195 D CA 0.188 54.124 54.000 -0.107 0.000 1.010 195 D CB 0.332 41.124 40.800 -0.014 0.000 1.068 195 D HN 0.351 nan 8.370 nan 0.000 0.511 196 K N 0.227 120.438 120.400 -0.316 0.000 2.562 196 K HA 0.613 4.933 4.320 0.000 0.000 0.267 196 K C 0.005 176.414 176.600 -0.319 0.000 0.938 196 K CA -0.800 55.355 56.287 -0.219 0.000 0.840 196 K CB 2.714 35.178 32.500 -0.061 0.000 1.390 196 K HN 0.287 nan 8.250 nan 0.000 0.428 197 G N 0.245 108.919 108.800 -0.211 0.000 3.211 197 G HA2 0.520 4.480 3.960 0.000 0.000 0.262 197 G HA3 0.520 4.480 3.960 0.000 0.000 0.262 197 G C -1.095 173.751 174.900 -0.090 0.000 1.352 197 G CA -0.728 44.217 45.100 -0.259 0.000 1.004 197 G HN 0.455 nan 8.290 nan 0.000 0.559 198 Y N -0.061 120.285 120.300 0.076 0.000 2.729 198 Y HA 0.235 4.785 4.550 -0.000 0.000 0.331 198 Y C 1.440 177.451 175.900 0.183 0.000 1.208 198 Y CA -0.884 57.333 58.100 0.195 0.000 1.521 198 Y CB -0.088 38.526 38.460 0.257 0.000 1.233 198 Y HN 0.272 nan 8.280 nan 0.000 0.539 199 I N 1.518 122.348 120.570 0.434 0.000 2.567 199 I HA -0.178 3.992 4.170 0.000 0.000 0.257 199 I C 0.941 177.181 176.117 0.206 0.000 1.184 199 I CA 1.464 62.938 61.300 0.290 0.000 1.451 199 I CB -0.171 38.008 38.000 0.298 0.000 1.089 199 I HN 0.686 nan 8.210 nan 0.000 0.441 200 S N 0.029 115.817 115.700 0.146 0.000 2.572 200 S HA 0.343 4.813 4.470 0.000 0.000 0.274 200 S C -2.038 172.477 174.600 -0.142 0.000 1.150 200 S CA -1.264 56.877 58.200 -0.097 0.000 0.944 200 S CB 1.798 64.706 63.200 -0.487 0.000 1.071 200 S HN -0.152 nan 8.310 nan 0.000 0.479 201 P HA -0.045 nan 4.420 nan 0.000 0.231 201 P C 0.469 177.485 177.300 -0.473 0.000 1.158 201 P CA 0.711 63.613 63.100 -0.329 0.000 0.763 201 P CB -0.184 31.439 31.700 -0.128 0.000 0.805 202 Y N -1.480 118.560 120.300 -0.433 0.000 2.516 202 Y HA 0.085 4.635 4.550 -0.000 0.000 0.291 202 Y C 2.141 177.892 175.900 -0.248 0.000 1.131 202 Y CA 0.606 58.502 58.100 -0.340 0.000 1.281 202 Y CB -1.124 37.135 38.460 -0.336 0.000 1.013 202 Y HN -0.095 nan 8.280 nan 0.000 0.554 203 F N -1.133 118.764 119.950 -0.089 0.000 2.748 203 F HA 0.004 4.531 4.527 0.000 0.000 0.299 203 F C 0.799 176.485 175.800 -0.191 0.000 1.154 203 F CA -0.458 57.482 58.000 -0.100 0.000 1.446 203 F CB -0.062 38.908 39.000 -0.049 0.000 1.112 203 F HN -0.312 nan 8.300 nan 0.000 0.584 204 V N 1.121 120.917 119.914 -0.196 0.000 2.617 204 V HA -0.129 3.991 4.120 0.000 0.000 0.304 204 V C 1.107 177.159 176.094 -0.071 0.000 1.040 204 V CA 0.853 63.029 62.300 -0.208 0.000 1.149 204 V CB 1.012 32.655 31.823 -0.301 0.000 0.914 204 V HN 0.258 nan 8.190 nan 0.000 0.487 205 T N 2.991 117.529 114.554 -0.028 0.000 2.901 205 T HA -0.011 4.339 4.350 0.000 0.000 0.252 205 T C 0.958 175.646 174.700 -0.020 0.000 1.035 205 T CA 0.609 62.704 62.100 -0.009 0.000 1.142 205 T CB -0.071 68.803 68.868 0.009 0.000 0.869 205 T HN 0.619 nan 8.240 nan 0.000 0.442 206 N N 1.502 120.193 118.700 -0.015 0.000 2.469 206 N HA 0.221 4.961 4.740 0.000 0.000 0.253 206 N C -2.436 173.058 175.510 -0.027 0.000 0.970 206 N CA -2.116 50.924 53.050 -0.016 0.000 0.940 206 N CB 2.153 40.640 38.487 -0.000 0.000 1.128 206 N HN -0.093 nan 8.380 nan 0.000 0.503 207 P HA -0.093 nan 4.420 nan 0.000 0.215 207 P C 0.677 177.958 177.300 -0.031 0.000 1.153 207 P CA 1.351 64.420 63.100 -0.051 0.000 0.853 207 P CB 0.586 32.252 31.700 -0.056 0.000 0.788 208 E N -0.659 119.525 120.200 -0.025 0.000 2.005 208 E HA -0.168 4.182 4.350 0.000 0.000 0.198 208 E C 2.009 178.606 176.600 -0.004 0.000 1.010 208 E CA 2.087 58.474 56.400 -0.021 0.000 0.825 208 E CB -1.033 28.648 29.700 -0.032 0.000 0.769 208 E HN 0.340 nan 8.360 nan 0.000 0.456 209 T N -0.971 113.588 114.554 0.008 0.000 3.007 209 T HA -0.087 4.263 4.350 0.000 0.000 0.270 209 T C 1.124 175.857 174.700 0.054 0.000 1.107 209 T CA 0.493 62.614 62.100 0.035 0.000 1.118 209 T CB 0.018 68.912 68.868 0.043 0.000 0.889 209 T HN 0.063 nan 8.240 nan 0.000 0.506 210 M N 0.980 120.607 119.600 0.046 0.000 2.537 210 M HA -0.138 4.342 4.480 0.000 0.000 0.205 210 M C -0.479 175.931 176.300 0.183 0.000 0.450 210 M CA 0.738 56.089 55.300 0.085 0.000 0.553 210 M CB -2.272 30.395 32.600 0.111 0.000 2.046 210 M HN 0.630 nan 8.290 nan 0.000 0.797 211 E N -0.461 119.814 120.200 0.125 0.000 2.264 211 E HA 0.800 5.150 4.350 0.000 0.000 0.260 211 E C -0.040 176.626 176.600 0.109 0.000 0.961 211 E CA -0.567 55.937 56.400 0.173 0.000 0.834 211 E CB 1.733 31.494 29.700 0.102 0.000 1.230 211 E HN 0.358 nan 8.360 nan 0.000 0.412 212 A N 1.398 124.305 122.820 0.145 0.000 2.323 212 A HA 0.467 4.787 4.320 0.000 0.000 0.305 212 A C -0.953 176.675 177.584 0.073 0.000 1.275 212 A CA -0.554 51.538 52.037 0.092 0.000 0.804 212 A CB 0.570 19.655 19.000 0.141 0.000 1.152 212 A HN 0.269 nan 8.150 nan 0.000 0.487 213 V N 4.295 124.235 119.914 0.043 0.000 2.370 213 V HA 0.428 4.548 4.120 0.000 0.000 0.283 213 V C -0.280 175.825 176.094 0.018 0.000 1.023 213 V CA -0.201 62.117 62.300 0.030 0.000 0.857 213 V CB 1.119 32.955 31.823 0.022 0.000 0.985 213 V HN 0.750 nan 8.190 nan 0.000 0.443 214 L N 4.945 126.176 121.223 0.013 0.000 2.333 214 L HA 0.624 4.964 4.340 0.000 0.000 0.280 214 L C -0.124 176.741 176.870 -0.008 0.000 1.004 214 L CA -0.458 54.383 54.840 0.002 0.000 0.820 214 L CB 2.028 44.088 42.059 0.001 0.000 1.247 214 L HN 0.571 nan 8.230 nan 0.000 0.416 215 E N 2.867 123.058 120.200 -0.016 0.000 2.158 215 E HA 0.175 4.525 4.350 0.000 0.000 0.271 215 E C -1.070 175.497 176.600 -0.055 0.000 0.911 215 E CA -0.655 55.729 56.400 -0.028 0.000 0.767 215 E CB 1.367 31.056 29.700 -0.019 0.000 1.120 215 E HN 0.489 nan 8.360 nan 0.000 0.405 216 D N 1.623 121.976 120.400 -0.079 0.000 2.828 216 D HA -0.181 4.459 4.640 0.000 0.000 0.241 216 D C -1.185 174.990 176.300 -0.209 0.000 1.142 216 D CA 0.848 54.765 54.000 -0.138 0.000 0.755 216 D CB -0.541 40.190 40.800 -0.116 0.000 1.014 216 D HN 0.479 nan 8.370 nan 0.000 0.420 217 A N 0.647 123.347 122.820 -0.199 0.000 2.350 217 A HA 0.783 5.103 4.320 0.000 0.000 0.318 217 A C -0.219 177.197 177.584 -0.281 0.000 1.132 217 A CA -0.637 51.279 52.037 -0.200 0.000 0.811 217 A CB 1.005 19.976 19.000 -0.048 0.000 1.313 217 A HN 0.092 nan 8.150 nan 0.000 0.454 218 F N -0.334 119.615 119.950 -0.002 0.000 2.370 218 F HA 0.539 5.066 4.527 0.000 0.000 0.324 218 F C 0.444 176.244 175.800 -0.001 0.000 1.116 218 F CA -0.058 57.941 58.000 -0.001 0.000 1.123 218 F CB 1.186 40.185 39.000 -0.002 0.000 1.238 218 F HN 0.232 nan 8.300 nan 0.000 0.536 219 I N 3.875 124.555 120.570 0.184 0.000 2.555 219 I HA 0.144 4.314 4.170 0.000 0.000 0.275 219 I C -0.993 175.177 176.117 0.089 0.000 1.082 219 I CA -0.736 60.626 61.300 0.104 0.000 1.167 219 I CB 1.089 39.126 38.000 0.062 0.000 1.312 219 I HN 0.293 nan 8.210 nan 0.000 0.493 220 L N 7.667 128.939 121.223 0.082 0.000 2.600 220 L HA 0.248 4.588 4.340 0.000 0.000 0.278 220 L C -0.168 176.723 176.870 0.035 0.000 1.139 220 L CA 0.705 55.576 54.840 0.053 0.000 0.933 220 L CB -0.261 41.820 42.059 0.036 0.000 1.266 220 L HN 0.370 nan 8.230 nan 0.000 0.471 221 I N 6.561 127.146 120.570 0.025 0.000 2.269 221 I HA 0.204 4.374 4.170 0.000 0.000 0.293 221 I C -0.037 176.086 176.117 0.010 0.000 1.106 221 I CA -0.412 60.889 61.300 0.001 0.000 1.248 221 I CB 0.444 38.427 38.000 -0.027 0.000 1.444 221 I HN 0.348 nan 8.210 nan 0.000 0.497 222 V N 5.639 125.561 119.914 0.013 0.000 3.109 222 V HA 0.245 4.365 4.120 0.000 0.000 0.317 222 V C 0.927 177.026 176.094 0.008 0.000 1.074 222 V CA -0.311 62.001 62.300 0.020 0.000 1.033 222 V CB 2.062 33.897 31.823 0.020 0.000 1.111 222 V HN 0.785 nan 8.190 nan 0.000 0.458 223 E N 0.097 120.306 120.200 0.015 0.000 2.639 223 E HA 0.196 4.546 4.350 0.000 0.000 0.225 223 E C 0.576 177.184 176.600 0.014 0.000 0.921 223 E CA -0.173 56.233 56.400 0.009 0.000 1.184 223 E CB 0.648 30.354 29.700 0.010 0.000 1.160 223 E HN 0.628 nan 8.360 nan 0.000 0.547 224 K N 0.788 121.197 120.400 0.015 0.000 2.177 224 K HA 0.284 4.605 4.320 0.000 0.000 0.238 224 K C -0.591 176.020 176.600 0.018 0.000 1.015 224 K CA -0.607 55.688 56.287 0.014 0.000 0.922 224 K CB 1.085 33.588 32.500 0.004 0.000 1.127 224 K HN -0.217 nan 8.250 nan 0.000 0.469 225 K N 1.997 122.408 120.400 0.019 0.000 2.219 225 K HA 0.161 4.481 4.320 0.000 0.000 0.280 225 K C -0.914 175.698 176.600 0.020 0.000 1.104 225 K CA -0.370 55.932 56.287 0.026 0.000 0.925 225 K CB 0.990 33.507 32.500 0.028 0.000 1.261 225 K HN 0.284 nan 8.250 nan 0.000 0.445 226 V N 3.580 123.508 119.914 0.023 0.000 2.390 226 V HA -0.061 4.059 4.120 0.000 0.000 0.260 226 V C 1.157 177.265 176.094 0.023 0.000 1.043 226 V CA 0.525 62.836 62.300 0.017 0.000 1.047 226 V CB 0.154 31.989 31.823 0.020 0.000 1.066 226 V HN 0.824 nan 8.190 nan 0.000 0.481 227 S N 2.286 117.994 115.700 0.015 0.000 2.649 227 S HA 0.161 4.631 4.470 0.000 0.000 0.246 227 S C 0.439 175.044 174.600 0.008 0.000 1.057 227 S CA -0.390 57.819 58.200 0.016 0.000 1.051 227 S CB 0.033 63.242 63.200 0.016 0.000 1.018 227 S HN 0.621 nan 8.310 nan 0.000 0.569 228 N N 0.905 119.605 118.700 0.000 0.000 2.421 228 N HA 0.456 5.196 4.740 0.000 0.000 0.285 228 N C 0.861 176.367 175.510 -0.007 0.000 1.027 228 N CA -0.374 52.672 53.050 -0.005 0.000 0.918 228 N CB 1.674 40.154 38.487 -0.012 0.000 1.152 228 N HN -0.091 nan 8.380 nan 0.000 0.485 229 V N 3.225 123.136 119.914 -0.006 0.000 2.358 229 V HA -0.163 3.957 4.120 0.000 0.000 0.246 229 V C 2.391 178.476 176.094 -0.014 0.000 1.047 229 V CA 1.456 63.752 62.300 -0.007 0.000 1.035 229 V CB -0.684 31.137 31.823 -0.005 0.000 0.658 229 V HN 0.672 nan 8.190 nan 0.000 0.452 230 R N 1.674 122.163 120.500 -0.017 0.000 2.096 230 R HA -0.228 4.112 4.340 0.000 0.000 0.240 230 R C 2.159 178.439 176.300 -0.033 0.000 1.139 230 R CA 2.299 58.385 56.100 -0.024 0.000 0.952 230 R CB -0.689 29.597 30.300 -0.023 0.000 0.854 230 R HN 0.805 nan 8.270 nan 0.000 0.436 231 E N -0.733 119.444 120.200 -0.038 0.000 2.511 231 E HA -0.098 4.252 4.350 0.000 0.000 0.196 231 E C 1.754 178.323 176.600 -0.052 0.000 1.066 231 E CA 0.697 57.064 56.400 -0.055 0.000 0.871 231 E CB -0.121 29.543 29.700 -0.061 0.000 0.863 231 E HN 0.458 nan 8.360 nan 0.000 0.520 232 L N -0.139 121.063 121.223 -0.035 0.000 2.547 232 L HA 0.180 4.520 4.340 0.000 0.000 0.218 232 L C 2.057 178.911 176.870 -0.027 0.000 1.048 232 L CA 0.038 54.861 54.840 -0.028 0.000 0.859 232 L CB 0.113 42.163 42.059 -0.014 0.000 1.128 232 L HN 0.154 nan 8.230 nan 0.000 0.483 233 L N 1.185 122.394 121.223 -0.024 0.000 2.034 233 L HA -0.207 4.133 4.340 0.000 0.000 0.217 233 L C -0.405 176.448 176.870 -0.028 0.000 1.077 233 L CA 1.997 56.824 54.840 -0.022 0.000 0.769 233 L CB -1.828 40.220 42.059 -0.019 0.000 0.890 233 L HN 0.286 nan 8.230 nan 0.000 0.435 234 P HA -0.236 nan 4.420 nan 0.000 0.213 234 P C 1.708 178.983 177.300 -0.042 0.000 1.176 234 P CA 1.951 65.029 63.100 -0.036 0.000 0.919 234 P CB -0.087 31.588 31.700 -0.040 0.000 0.791 235 I N -1.366 119.177 120.570 -0.045 0.000 2.315 235 I HA -0.193 3.977 4.170 0.000 0.000 0.248 235 I C 2.631 178.710 176.117 -0.065 0.000 1.117 235 I CA 0.728 61.993 61.300 -0.058 0.000 1.404 235 I CB -0.822 37.149 38.000 -0.049 0.000 1.071 235 I HN -0.139 nan 8.210 nan 0.000 0.419 236 L N 0.777 121.974 121.223 -0.044 0.000 2.127 236 L HA -0.224 4.116 4.340 0.000 0.000 0.211 236 L C 2.393 179.241 176.870 -0.036 0.000 1.089 236 L CA 1.909 56.728 54.840 -0.034 0.000 0.757 236 L CB -0.557 41.490 42.059 -0.020 0.000 0.899 236 L HN 0.240 nan 8.230 nan 0.000 0.434 237 E N -1.458 118.719 120.200 -0.038 0.000 2.076 237 E HA -0.190 4.160 4.350 0.000 0.000 0.190 237 E C 2.078 178.649 176.600 -0.048 0.000 0.979 237 E CA 0.866 57.245 56.400 -0.034 0.000 0.807 237 E CB -0.023 29.661 29.700 -0.028 0.000 0.761 237 E HN 0.637 nan 8.360 nan 0.000 0.454 238 Q N 0.390 120.148 119.800 -0.070 0.000 2.061 238 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 238 Q C 2.357 178.280 176.000 -0.127 0.000 0.984 238 Q CA 1.550 57.296 55.803 -0.095 0.000 0.846 238 Q CB -0.132 28.534 28.738 -0.120 0.000 0.902 238 Q HN 0.138 nan 8.270 nan 0.000 0.421 239 V N 1.120 120.939 119.914 -0.158 0.000 2.407 239 V HA -0.271 3.849 4.120 0.000 0.000 0.248 239 V C 2.315 178.389 176.094 -0.033 0.000 1.055 239 V CA 1.626 63.828 62.300 -0.163 0.000 1.049 239 V CB -1.105 30.638 31.823 -0.132 0.000 0.662 239 V HN 0.403 nan 8.190 nan 0.000 0.455 240 A N -0.388 122.418 122.820 -0.024 0.000 1.892 240 A HA -0.313 4.007 4.320 0.000 0.000 0.218 240 A C 2.140 179.730 177.584 0.010 0.000 1.188 240 A CA 2.044 54.083 52.037 0.002 0.000 0.631 240 A CB -0.526 18.472 19.000 -0.004 0.000 0.822 240 A HN 0.632 nan 8.150 nan 0.000 0.447 241 Q N -0.881 118.917 119.800 -0.003 0.000 2.488 241 Q HA -0.046 4.294 4.340 0.000 0.000 0.211 241 Q C 1.542 177.555 176.000 0.023 0.000 0.967 241 Q CA 1.211 57.017 55.803 0.005 0.000 0.926 241 Q CB -0.191 28.544 28.738 -0.005 0.000 0.992 241 Q HN 0.685 nan 8.270 nan 0.000 0.506 242 T N -0.878 113.699 114.554 0.038 0.000 3.023 242 T HA 0.017 4.367 4.350 0.000 0.000 0.266 242 T C 1.405 176.169 174.700 0.106 0.000 1.093 242 T CA 0.931 63.089 62.100 0.096 0.000 1.129 242 T CB 0.028 69.011 68.868 0.191 0.000 0.899 242 T HN 0.593 nan 8.240 nan 0.000 0.491 243 G N 1.583 110.432 108.800 0.082 0.000 2.184 243 G HA2 -0.265 3.695 3.960 0.000 0.000 0.264 243 G HA3 -0.265 3.695 3.960 0.000 0.000 0.264 243 G C 0.117 175.063 174.900 0.077 0.000 0.975 243 G CA 0.235 45.373 45.100 0.064 0.000 0.642 243 G HN 0.476 nan 8.290 nan 0.000 0.536 244 K N 1.196 121.676 120.400 0.133 0.000 2.095 244 K HA 0.524 4.844 4.320 0.000 0.000 0.252 244 K C -2.113 174.568 176.600 0.135 0.000 0.977 244 K CA -1.726 54.636 56.287 0.125 0.000 0.900 244 K CB 1.834 34.430 32.500 0.161 0.000 1.060 244 K HN 0.087 nan 8.250 nan 0.000 0.449 245 P HA 0.187 nan 4.420 nan 0.000 0.276 245 P C -1.275 176.089 177.300 0.107 0.000 1.252 245 P CA -0.540 62.597 63.100 0.063 0.000 0.802 245 P CB 0.757 32.468 31.700 0.018 0.000 1.035 246 L N 1.585 122.849 121.223 0.069 0.000 2.436 246 L HA 0.542 4.882 4.340 0.000 0.000 0.268 246 L C -1.578 175.298 176.870 0.010 0.000 0.974 246 L CA -0.957 53.933 54.840 0.084 0.000 0.826 246 L CB 1.776 43.881 42.059 0.076 0.000 1.291 246 L HN 0.165 nan 8.230 nan 0.000 0.406 247 L N 6.126 127.369 121.223 0.033 0.000 2.298 247 L HA 0.649 4.989 4.340 0.000 0.000 0.284 247 L C -1.150 175.733 176.870 0.021 0.000 1.013 247 L CA -0.033 54.812 54.840 0.008 0.000 0.824 247 L CB 1.010 43.094 42.059 0.042 0.000 1.221 247 L HN 0.587 nan 8.230 nan 0.000 0.418 248 I N 6.269 126.832 120.570 -0.013 0.000 2.385 248 I HA 0.336 4.506 4.170 0.000 0.000 0.294 248 I C -0.000 176.145 176.117 0.048 0.000 0.988 248 I CA -0.228 61.078 61.300 0.010 0.000 1.265 248 I CB 1.437 39.428 38.000 -0.014 0.000 1.388 248 I HN 0.580 nan 8.210 nan 0.000 0.480 249 I N 6.187 126.790 120.570 0.054 0.000 2.976 249 I HA 0.319 4.489 4.170 0.000 0.000 0.328 249 I C 0.519 176.659 176.117 0.038 0.000 1.396 249 I CA -0.107 61.237 61.300 0.074 0.000 0.869 249 I CB 0.553 38.584 38.000 0.051 0.000 2.156 249 I HN 0.605 nan 8.210 nan 0.000 0.595 250 A N 1.666 124.514 122.820 0.047 0.000 2.249 250 A HA 0.270 4.590 4.320 0.000 0.000 0.281 250 A C 1.419 179.027 177.584 0.040 0.000 1.127 250 A CA -0.188 51.869 52.037 0.034 0.000 0.833 250 A CB 0.417 19.439 19.000 0.038 0.000 1.140 250 A HN 0.684 nan 8.150 nan 0.000 0.502 251 E N -0.931 119.287 120.200 0.031 0.000 2.347 251 E HA 0.002 4.352 4.350 0.000 0.000 0.196 251 E C -0.258 176.375 176.600 0.056 0.000 1.008 251 E CA 1.074 57.495 56.400 0.034 0.000 0.852 251 E CB 0.189 29.907 29.700 0.030 0.000 0.783 251 E HN 0.490 nan 8.360 nan 0.000 0.505 252 D N -0.824 119.612 120.400 0.060 0.000 2.751 252 D HA 0.129 4.769 4.640 0.000 0.000 0.236 252 D C -1.876 174.467 176.300 0.071 0.000 1.196 252 D CA -0.542 53.502 54.000 0.073 0.000 0.741 252 D CB 2.261 43.102 40.800 0.068 0.000 1.474 252 D HN -0.063 nan 8.370 nan 0.000 0.452 253 V N 3.528 123.496 119.914 0.090 0.000 2.443 253 V HA 0.476 4.596 4.120 0.000 0.000 0.293 253 V C 0.203 176.349 176.094 0.088 0.000 1.021 253 V CA -0.514 61.840 62.300 0.090 0.000 0.848 253 V CB 1.473 33.369 31.823 0.122 0.000 0.998 253 V HN 0.551 nan 8.190 nan 0.000 0.424 254 E N 3.306 123.543 120.200 0.062 0.000 2.447 254 E HA 0.818 5.168 4.350 0.000 0.000 0.258 254 E C 0.628 177.248 176.600 0.033 0.000 0.916 254 E CA -0.378 56.051 56.400 0.047 0.000 0.846 254 E CB 1.534 31.258 29.700 0.040 0.000 1.517 254 E HN 0.870 nan 8.360 nan 0.000 0.418 255 G N 0.998 109.810 108.800 0.020 0.000 2.627 255 G HA2 -0.446 3.514 3.960 0.000 0.000 0.312 255 G HA3 -0.446 3.514 3.960 0.000 0.000 0.312 255 G C 0.751 175.656 174.900 0.008 0.000 1.299 255 G CA 0.963 46.070 45.100 0.010 0.000 0.989 255 G HN 0.752 nan 8.290 nan 0.000 0.547 256 E N 0.300 120.503 120.200 0.006 0.000 2.070 256 E HA -0.132 4.218 4.350 0.000 0.000 0.197 256 E C 3.081 179.690 176.600 0.015 0.000 1.004 256 E CA 1.662 58.065 56.400 0.004 0.000 0.805 256 E CB -0.385 29.316 29.700 0.002 0.000 0.744 256 E HN 0.765 nan 8.360 nan 0.000 0.451 257 A N 1.495 124.328 122.820 0.022 0.000 1.869 257 A HA -0.245 4.075 4.320 0.000 0.000 0.218 257 A C 2.233 179.854 177.584 0.062 0.000 1.203 257 A CA 1.768 53.825 52.037 0.035 0.000 0.638 257 A CB -0.847 18.174 19.000 0.034 0.000 0.831 257 A HN 0.250 nan 8.150 nan 0.000 0.450 258 L N -0.492 120.774 121.223 0.072 0.000 2.046 258 L HA -0.049 4.291 4.340 0.000 0.000 0.208 258 L C 2.726 179.641 176.870 0.075 0.000 1.077 258 L CA 2.204 57.112 54.840 0.114 0.000 0.747 258 L CB -0.965 41.148 42.059 0.089 0.000 0.896 258 L HN 0.402 nan 8.230 nan 0.000 0.432 259 A N -1.422 121.408 122.820 0.017 0.000 1.865 259 A HA -0.238 4.082 4.320 0.000 0.000 0.217 259 A C 2.258 179.843 177.584 0.002 0.000 1.191 259 A CA 2.543 54.566 52.037 -0.023 0.000 0.623 259 A CB -1.313 17.669 19.000 -0.030 0.000 0.826 259 A HN 0.507 nan 8.150 nan 0.000 0.444 260 T N 0.685 115.253 114.554 0.023 0.000 2.652 260 T HA -0.148 4.202 4.350 0.000 0.000 0.267 260 T C 1.842 176.580 174.700 0.063 0.000 1.039 260 T CA 1.569 63.687 62.100 0.030 0.000 1.153 260 T CB -0.524 68.359 68.868 0.024 0.000 0.863 260 T HN 0.351 nan 8.240 nan 0.000 0.428 261 L N 0.713 121.999 121.223 0.105 0.000 2.043 261 L HA -0.146 4.194 4.340 0.000 0.000 0.212 261 L C 2.697 179.735 176.870 0.279 0.000 1.075 261 L CA 1.098 56.037 54.840 0.165 0.000 0.752 261 L CB -0.775 41.406 42.059 0.204 0.000 0.891 261 L HN 0.168 nan 8.230 nan 0.000 0.432 262 V N -0.985 119.087 119.914 0.263 0.000 2.307 262 V HA -0.230 3.891 4.120 0.000 0.000 0.245 262 V C 2.396 178.534 176.094 0.074 0.000 1.045 262 V CA 1.472 63.867 62.300 0.158 0.000 1.024 262 V CB -0.247 31.484 31.823 -0.153 0.000 0.651 262 V HN 0.184 nan 8.190 nan 0.000 0.449 263 V N 0.791 120.719 119.914 0.023 0.000 2.233 263 V HA -0.275 3.845 4.120 0.000 0.000 0.247 263 V C 2.302 178.418 176.094 0.036 0.000 1.050 263 V CA 2.327 64.633 62.300 0.009 0.000 1.010 263 V CB -0.907 30.913 31.823 -0.006 0.000 0.637 263 V HN 0.583 nan 8.190 nan 0.000 0.444 264 N N 0.262 118.990 118.700 0.047 0.000 2.289 264 N HA -0.197 4.543 4.740 0.000 0.000 0.184 264 N C 1.848 177.393 175.510 0.057 0.000 1.016 264 N CA 1.513 54.589 53.050 0.043 0.000 0.872 264 N CB -0.245 38.265 38.487 0.037 0.000 0.973 264 N HN 0.485 nan 8.380 nan 0.000 0.433 265 K N 1.866 122.323 120.400 0.094 0.000 2.001 265 K HA 0.003 4.323 4.320 0.000 0.000 0.208 265 K C 1.863 178.518 176.600 0.092 0.000 1.048 265 K CA 1.082 57.440 56.287 0.118 0.000 0.932 265 K CB -0.529 32.115 32.500 0.240 0.000 0.715 265 K HN 0.104 nan 8.250 nan 0.000 0.437 266 L N 0.146 121.424 121.223 0.091 0.000 2.465 266 L HA 0.095 4.435 4.340 0.000 0.000 0.224 266 L C 2.653 179.545 176.870 0.037 0.000 1.145 266 L CA 0.593 55.472 54.840 0.067 0.000 0.834 266 L CB -0.250 41.857 42.059 0.080 0.000 0.944 266 L HN 0.208 nan 8.230 nan 0.000 0.451 267 R N 0.024 120.545 120.500 0.034 0.000 2.105 267 R HA 0.054 4.394 4.340 0.000 0.000 0.214 267 R C 1.418 177.728 176.300 0.017 0.000 1.091 267 R CA 1.038 57.150 56.100 0.020 0.000 1.007 267 R CB 0.260 30.572 30.300 0.019 0.000 0.912 267 R HN 0.311 nan 8.270 nan 0.000 0.450 268 G N -1.252 107.562 108.800 0.024 0.000 2.205 268 G HA2 -0.193 3.767 3.960 0.000 0.000 0.180 268 G HA3 -0.193 3.767 3.960 0.000 0.000 0.180 268 G C 0.760 175.672 174.900 0.020 0.000 1.004 268 G CA 0.354 45.465 45.100 0.019 0.000 0.670 268 G HN 0.349 nan 8.290 nan 0.000 0.496 269 T N -0.049 114.518 114.554 0.021 0.000 2.674 269 T HA 0.220 4.570 4.350 0.000 0.000 0.265 269 T C 0.882 175.595 174.700 0.021 0.000 1.039 269 T CA 1.454 63.565 62.100 0.019 0.000 1.150 269 T CB 0.191 69.069 68.868 0.018 0.000 0.864 269 T HN 0.420 nan 8.240 nan 0.000 0.427 270 L N 1.408 122.647 121.223 0.027 0.000 2.505 270 L HA 0.386 4.726 4.340 0.000 0.000 0.266 270 L C -0.843 176.044 176.870 0.029 0.000 0.954 270 L CA -0.749 54.107 54.840 0.026 0.000 0.852 270 L CB 1.968 44.039 42.059 0.020 0.000 1.282 270 L HN 0.140 nan 8.230 nan 0.000 0.403 271 S N 4.662 120.377 115.700 0.025 0.000 2.411 271 S HA 0.572 5.042 4.470 0.000 0.000 0.304 271 S C -0.294 174.300 174.600 -0.011 0.000 1.098 271 S CA -0.525 57.687 58.200 0.020 0.000 1.068 271 S CB 0.452 63.664 63.200 0.021 0.000 1.032 271 S HN 0.463 nan 8.310 nan 0.000 0.511 272 V N -0.095 119.785 119.914 -0.056 0.000 3.145 272 V HA 1.070 5.190 4.120 0.000 0.000 0.311 272 V C -0.142 175.701 176.094 -0.418 0.000 1.238 272 V CA -0.976 61.219 62.300 -0.175 0.000 1.066 272 V CB 1.042 32.754 31.823 -0.184 0.000 1.144 272 V HN 1.343 nan 8.190 nan 0.000 0.465 273 A N -0.015 122.433 122.820 -0.619 0.000 2.530 273 A HA 0.896 5.216 4.320 0.000 0.000 0.297 273 A C -0.589 176.630 177.584 -0.609 0.000 1.059 273 A CA 0.000 51.466 52.037 -0.952 0.000 0.782 273 A CB 0.937 19.769 19.000 -0.280 0.000 1.301 273 A HN 2.335 nan 8.150 nan 0.000 0.394 274 A N 1.572 124.011 122.820 -0.635 0.000 2.304 274 A HA 0.794 5.114 4.320 0.000 0.000 0.323 274 A C -0.572 177.110 177.584 0.164 0.000 1.195 274 A CA -0.488 51.513 52.037 -0.060 0.000 0.826 274 A CB 0.954 20.013 19.000 0.098 0.000 1.184 274 A HN 1.536 nan 8.150 nan 0.000 0.496 275 V N 2.901 122.903 119.914 0.148 0.000 2.789 275 V HA 0.321 4.441 4.120 0.000 0.000 0.311 275 V C 0.048 176.256 176.094 0.191 0.000 1.073 275 V CA -0.924 61.483 62.300 0.179 0.000 0.921 275 V CB 2.107 34.039 31.823 0.182 0.000 1.009 275 V HN 0.994 nan 8.190 nan 0.000 0.426 276 K N 1.913 122.417 120.400 0.173 0.000 2.180 276 K HA 0.607 4.927 4.320 0.000 0.000 0.251 276 K C 0.215 176.932 176.600 0.195 0.000 1.014 276 K CA -0.152 56.223 56.287 0.147 0.000 0.913 276 K CB 0.708 33.273 32.500 0.107 0.000 1.008 276 K HN 0.841 nan 8.250 nan 0.000 0.490 277 A N 3.393 126.262 122.820 0.081 0.000 2.440 277 A HA 0.219 4.539 4.320 0.000 0.000 0.251 277 A C -1.995 175.559 177.584 -0.051 0.000 1.089 277 A CA -1.240 50.791 52.037 -0.011 0.000 0.779 277 A CB -0.370 18.594 19.000 -0.061 0.000 1.022 277 A HN 0.439 nan 8.150 nan 0.000 0.492 278 P HA 0.295 nan 4.420 nan 0.000 0.270 278 P C 0.769 177.921 177.300 -0.246 0.000 1.223 278 P CA 1.372 64.447 63.100 -0.042 0.000 0.785 278 P CB 0.369 31.982 31.700 -0.144 0.000 0.923 279 G N 0.724 109.306 108.800 -0.364 0.000 2.740 279 G HA2 -0.149 3.812 3.960 0.000 0.000 0.250 279 G HA3 -0.149 3.812 3.960 0.000 0.000 0.250 279 G C -1.203 173.210 174.900 -0.812 0.000 1.358 279 G CA -0.410 44.433 45.100 -0.430 0.000 0.897 279 G HN 0.456 nan 8.290 nan 0.000 0.567 280 F N -0.138 119.852 119.950 0.066 0.000 2.591 280 F HA 0.659 5.186 4.527 0.000 0.000 0.309 280 F C 0.956 176.786 175.800 0.049 0.000 1.098 280 F CA 0.602 58.636 58.000 0.057 0.000 0.937 280 F CB 1.440 40.475 39.000 0.059 0.000 1.250 280 F HN 2.031 nan 8.300 nan 0.000 0.447 281 G N 2.106 111.024 108.800 0.198 0.000 2.539 281 G HA2 -0.275 3.685 3.960 0.000 0.000 0.256 281 G HA3 -0.275 3.685 3.960 0.000 0.000 0.256 281 G C 0.558 175.507 174.900 0.082 0.000 1.233 281 G CA 0.279 45.455 45.100 0.126 0.000 0.936 281 G HN 0.634 nan 8.290 nan 0.000 0.571 282 D N 0.135 120.577 120.400 0.070 0.000 2.133 282 D HA -0.162 4.478 4.640 0.000 0.000 0.195 282 D C 2.342 178.668 176.300 0.042 0.000 0.997 282 D CA 1.710 55.739 54.000 0.047 0.000 0.840 282 D CB -0.148 40.679 40.800 0.045 0.000 0.947 282 D HN 0.369 nan 8.370 nan 0.000 0.452 283 R N 1.430 121.969 120.500 0.066 0.000 2.139 283 R HA -0.150 4.190 4.340 0.000 0.000 0.243 283 R C 2.124 178.440 176.300 0.027 0.000 1.145 283 R CA 1.441 57.577 56.100 0.061 0.000 0.976 283 R CB -0.410 29.957 30.300 0.112 0.000 0.866 283 R HN 0.149 nan 8.270 nan 0.000 0.449 284 R N 0.107 120.616 120.500 0.015 0.000 2.057 284 R HA -0.064 4.276 4.340 0.000 0.000 0.229 284 R C 2.158 178.430 176.300 -0.046 0.000 1.136 284 R CA 1.884 57.962 56.100 -0.037 0.000 0.952 284 R CB -0.306 29.967 30.300 -0.045 0.000 0.848 284 R HN 0.169 nan 8.270 nan 0.000 0.430 285 K N 0.112 120.497 120.400 -0.025 0.000 2.103 285 K HA -0.229 4.091 4.320 0.000 0.000 0.207 285 K C 1.874 178.446 176.600 -0.046 0.000 1.048 285 K CA 1.945 58.212 56.287 -0.035 0.000 0.930 285 K CB -0.028 32.462 32.500 -0.016 0.000 0.716 285 K HN 0.072 nan 8.250 nan 0.000 0.444 286 E N 0.414 120.596 120.200 -0.030 0.000 2.153 286 E HA -0.131 4.219 4.350 0.000 0.000 0.194 286 E C 1.738 178.306 176.600 -0.054 0.000 0.988 286 E CA 1.475 57.855 56.400 -0.033 0.000 0.811 286 E CB 0.035 29.729 29.700 -0.009 0.000 0.746 286 E HN 0.364 nan 8.360 nan 0.000 0.466 287 M N -0.802 118.766 119.600 -0.053 0.000 2.388 287 M HA 0.015 4.495 4.480 0.000 0.000 0.265 287 M C 1.917 178.102 176.300 -0.192 0.000 1.088 287 M CA 0.565 55.826 55.300 -0.065 0.000 1.134 287 M CB 0.040 32.642 32.600 0.003 0.000 1.384 287 M HN 0.115 nan 8.290 nan 0.000 0.447 288 L N 0.194 121.315 121.223 -0.169 0.000 2.141 288 L HA -0.202 4.138 4.340 0.000 0.000 0.209 288 L C 2.309 179.064 176.870 -0.191 0.000 1.094 288 L CA 1.282 56.007 54.840 -0.193 0.000 0.763 288 L CB -0.408 41.574 42.059 -0.130 0.000 0.908 288 L HN 0.284 nan 8.230 nan 0.000 0.437 289 K N -0.397 119.908 120.400 -0.158 0.000 2.103 289 K HA -0.131 4.189 4.320 0.000 0.000 0.204 289 K C 1.631 178.108 176.600 -0.206 0.000 1.052 289 K CA 1.100 57.301 56.287 -0.144 0.000 0.945 289 K CB -0.142 32.298 32.500 -0.100 0.000 0.722 289 K HN 0.300 nan 8.250 nan 0.000 0.443 290 D N 1.194 121.424 120.400 -0.284 0.000 2.149 290 D HA -0.161 4.479 4.640 0.000 0.000 0.198 290 D C 1.920 177.868 176.300 -0.586 0.000 0.990 290 D CA 1.170 54.908 54.000 -0.437 0.000 0.839 290 D CB -0.020 40.422 40.800 -0.597 0.000 0.948 290 D HN 0.225 nan 8.370 nan 0.000 0.460 291 I N 1.263 121.489 120.570 -0.573 0.000 2.193 291 I HA -0.195 3.975 4.170 0.000 0.000 0.240 291 I C 2.727 178.707 176.117 -0.228 0.000 1.084 291 I CA 0.733 61.776 61.300 -0.429 0.000 1.365 291 I CB -0.342 37.454 38.000 -0.340 0.000 1.064 291 I HN -0.111 nan 8.210 nan 0.000 0.410 292 A N 1.137 123.848 122.820 -0.182 0.000 1.892 292 A HA -0.269 4.051 4.320 0.000 0.000 0.218 292 A C 2.555 180.079 177.584 -0.100 0.000 1.188 292 A CA 2.307 54.278 52.037 -0.111 0.000 0.631 292 A CB -0.976 17.968 19.000 -0.094 0.000 0.822 292 A HN 0.463 nan 8.150 nan 0.000 0.447 293 A N -0.673 122.072 122.820 -0.125 0.000 1.865 293 A HA -0.058 4.262 4.320 0.000 0.000 0.217 293 A C 2.166 179.701 177.584 -0.080 0.000 1.191 293 A CA 2.094 54.073 52.037 -0.098 0.000 0.623 293 A CB -1.000 17.936 19.000 -0.108 0.000 0.826 293 A HN 0.603 nan 8.150 nan 0.000 0.444 294 V N -0.382 119.470 119.914 -0.104 0.000 2.871 294 V HA -0.110 4.010 4.120 0.000 0.000 0.256 294 V C 2.374 178.446 176.094 -0.037 0.000 1.082 294 V CA 2.039 64.304 62.300 -0.058 0.000 1.105 294 V CB -1.008 30.786 31.823 -0.049 0.000 0.713 294 V HN 0.612 nan 8.190 nan 0.000 0.473 295 T N -0.399 114.125 114.554 -0.050 0.000 2.939 295 T HA 0.291 4.641 4.350 0.000 0.000 0.254 295 T C 1.493 176.184 174.700 -0.015 0.000 1.041 295 T CA 1.071 63.156 62.100 -0.026 0.000 1.142 295 T CB 0.136 68.990 68.868 -0.023 0.000 0.874 295 T HN 0.773 nan 8.240 nan 0.000 0.452 296 G N 1.101 109.888 108.800 -0.022 0.000 2.215 296 G HA2 0.133 4.093 3.960 0.000 0.000 0.198 296 G HA3 0.133 4.093 3.960 0.000 0.000 0.198 296 G C 0.148 175.049 174.900 0.001 0.000 1.047 296 G CA -0.327 44.766 45.100 -0.011 0.000 0.747 296 G HN 0.860 nan 8.290 nan 0.000 0.495 297 G N -1.569 107.224 108.800 -0.011 0.000 3.140 297 G HA2 0.924 4.884 3.960 0.000 0.000 0.271 297 G HA3 0.924 4.884 3.960 0.000 0.000 0.271 297 G C -0.661 174.223 174.900 -0.026 0.000 1.370 297 G CA 0.154 45.253 45.100 -0.002 0.000 1.014 297 G HN 0.842 nan 8.290 nan 0.000 0.541 298 T N -0.277 114.262 114.554 -0.024 0.000 2.952 298 T HA 0.375 4.725 4.350 0.000 0.000 0.305 298 T C -0.436 174.249 174.700 -0.025 0.000 1.064 298 T CA -0.396 61.679 62.100 -0.041 0.000 1.008 298 T CB 1.873 70.702 68.868 -0.066 0.000 1.078 298 T HN 0.420 nan 8.240 nan 0.000 0.459 299 V N 3.803 123.698 119.914 -0.032 0.000 2.400 299 V HA 0.082 4.202 4.120 0.000 0.000 0.263 299 V C 0.803 176.913 176.094 0.027 0.000 1.026 299 V CA 0.035 62.327 62.300 -0.014 0.000 1.077 299 V CB -0.839 30.966 31.823 -0.030 0.000 1.054 299 V HN 0.775 nan 8.190 nan 0.000 0.477 300 I N 5.576 126.190 120.570 0.073 0.000 2.501 300 I HA 0.016 4.186 4.170 0.000 0.000 0.305 300 I C 0.927 177.125 176.117 0.134 0.000 1.197 300 I CA 0.427 61.835 61.300 0.181 0.000 1.793 300 I CB -0.289 37.831 38.000 0.201 0.000 1.521 300 I HN 0.724 nan 8.210 nan 0.000 0.843 301 S N 3.356 119.125 115.700 0.115 0.000 2.480 301 S HA 0.288 4.758 4.470 0.000 0.000 0.286 301 S C 0.957 175.615 174.600 0.096 0.000 1.180 301 S CA -0.882 57.363 58.200 0.075 0.000 1.075 301 S CB 1.858 65.083 63.200 0.042 0.000 0.996 301 S HN 0.381 nan 8.310 nan 0.000 0.487 302 E N 2.658 122.894 120.200 0.060 0.000 2.268 302 E HA -0.133 4.218 4.350 0.000 0.000 0.195 302 E C 1.429 178.058 176.600 0.050 0.000 0.995 302 E CA 0.933 57.361 56.400 0.048 0.000 0.836 302 E CB -0.184 29.526 29.700 0.018 0.000 0.763 302 E HN 0.849 nan 8.360 nan 0.000 0.491 303 E N 0.996 121.221 120.200 0.043 0.000 2.021 303 E HA -0.141 4.209 4.350 0.000 0.000 0.200 303 E C 1.562 178.185 176.600 0.039 0.000 1.015 303 E CA 0.848 57.268 56.400 0.033 0.000 0.824 303 E CB -0.247 29.468 29.700 0.025 0.000 0.762 303 E HN 0.222 nan 8.360 nan 0.000 0.454 304 L N 1.321 122.571 121.223 0.045 0.000 2.855 304 L HA 0.100 4.440 4.340 0.000 0.000 0.257 304 L C 0.602 177.516 176.870 0.073 0.000 1.206 304 L CA -0.128 54.737 54.840 0.041 0.000 1.042 304 L CB -1.504 40.568 42.059 0.021 0.000 1.321 304 L HN 0.207 nan 8.230 nan 0.000 0.417 305 G N 1.353 110.202 108.800 0.081 0.000 2.329 305 G HA2 -0.299 3.662 3.960 0.000 0.000 0.204 305 G HA3 -0.299 3.662 3.960 0.000 0.000 0.204 305 G C -0.779 174.246 174.900 0.209 0.000 0.435 305 G CA -0.140 45.021 45.100 0.101 0.000 0.977 305 G HN 0.323 nan 8.290 nan 0.000 0.366 306 F N 2.252 122.197 119.950 -0.008 0.000 2.767 306 F HA 0.460 4.987 4.527 0.000 0.000 0.341 306 F C -0.247 175.548 175.800 -0.009 0.000 1.192 306 F CA -1.340 56.654 58.000 -0.010 0.000 1.127 306 F CB 0.927 39.920 39.000 -0.012 0.000 1.388 306 F HN 0.408 nan 8.300 nan 0.000 0.574 307 K N 5.706 125.694 120.400 -0.688 0.000 2.237 307 K HA 0.384 4.704 4.320 0.000 0.000 0.270 307 K C 0.950 177.033 176.600 -0.861 0.000 1.015 307 K CA -0.530 55.405 56.287 -0.586 0.000 0.949 307 K CB 1.225 33.522 32.500 -0.338 0.000 0.976 307 K HN 0.738 nan 8.250 nan 0.000 0.472 308 L N 2.144 123.103 121.223 -0.440 0.000 2.027 308 L HA -0.209 4.131 4.340 0.000 0.000 0.206 308 L C 2.472 179.197 176.870 -0.242 0.000 1.074 308 L CA 1.161 55.819 54.840 -0.302 0.000 0.745 308 L CB -0.371 41.601 42.059 -0.146 0.000 0.898 308 L HN 0.764 nan 8.230 nan 0.000 0.433 309 E N 0.007 120.087 120.200 -0.200 0.000 2.171 309 E HA -0.248 4.102 4.350 0.000 0.000 0.197 309 E C 0.680 177.209 176.600 -0.119 0.000 0.997 309 E CA 1.318 57.641 56.400 -0.129 0.000 0.810 309 E CB -0.788 28.850 29.700 -0.102 0.000 0.738 309 E HN 0.536 nan 8.360 nan 0.000 0.467 310 N N 1.491 120.070 118.700 -0.201 0.000 2.375 310 N HA 0.204 4.944 4.740 0.000 0.000 0.220 310 N C -0.414 175.166 175.510 0.117 0.000 1.170 310 N CA 0.506 53.510 53.050 -0.076 0.000 0.833 310 N CB 0.539 38.980 38.487 -0.077 0.000 1.069 310 N HN 0.213 nan 8.380 nan 0.000 0.479 311 A N 0.299 123.161 122.820 0.070 0.000 2.274 311 A HA 0.478 4.798 4.320 0.000 0.000 0.309 311 A C 0.449 178.100 177.584 0.113 0.000 1.226 311 A CA -0.380 51.803 52.037 0.244 0.000 0.853 311 A CB 0.609 19.708 19.000 0.166 0.000 1.146 311 A HN 0.066 nan 8.150 nan 0.000 0.518 312 T N 2.500 117.119 114.554 0.108 0.000 2.910 312 T HA 0.210 4.561 4.350 0.000 0.000 0.293 312 T C 0.956 175.636 174.700 -0.033 0.000 1.015 312 T CA -0.198 61.915 62.100 0.021 0.000 1.094 312 T CB 0.743 69.618 68.868 0.012 0.000 0.968 312 T HN 0.576 nan 8.240 nan 0.000 0.521 313 L N 3.497 124.665 121.223 -0.091 0.000 2.949 313 L HA 0.105 4.445 4.340 0.000 0.000 0.263 313 L C 1.353 178.136 176.870 -0.145 0.000 1.190 313 L CA 0.807 55.525 54.840 -0.204 0.000 1.022 313 L CB -1.305 40.597 42.059 -0.263 0.000 1.313 313 L HN 0.779 nan 8.230 nan 0.000 0.413 314 S N -3.398 112.271 115.700 -0.052 0.000 2.684 314 S HA 0.128 4.598 4.470 0.000 0.000 0.268 314 S C 1.315 175.921 174.600 0.010 0.000 1.075 314 S CA -0.192 58.009 58.200 0.001 0.000 1.184 314 S CB -0.297 62.902 63.200 -0.002 0.000 1.129 314 S HN 0.363 nan 8.310 nan 0.000 0.630 315 M N 2.510 122.109 119.600 -0.001 0.000 2.492 315 M HA 0.314 4.794 4.480 0.000 0.000 0.262 315 M C 0.574 176.886 176.300 0.020 0.000 1.090 315 M CA 0.497 55.794 55.300 -0.006 0.000 1.110 315 M CB -0.308 32.289 32.600 -0.004 0.000 1.407 315 M HN 0.433 nan 8.290 nan 0.000 0.470 316 L N -0.522 120.728 121.223 0.045 0.000 2.264 316 L HA 0.774 5.114 4.340 0.000 0.000 0.289 316 L C 0.233 177.189 176.870 0.144 0.000 1.044 316 L CA -0.852 54.038 54.840 0.084 0.000 0.807 316 L CB 0.567 42.678 42.059 0.087 0.000 1.192 316 L HN 0.012 nan 8.230 nan 0.000 0.425 317 G N 3.932 112.788 108.800 0.094 0.000 2.611 317 G HA2 0.552 4.512 3.960 0.000 0.000 0.273 317 G HA3 0.552 4.512 3.960 0.000 0.000 0.273 317 G C -0.445 174.511 174.900 0.093 0.000 1.305 317 G CA -0.739 44.408 45.100 0.079 0.000 1.010 317 G HN 1.038 nan 8.290 nan 0.000 0.509 318 R N -2.523 117.984 120.500 0.011 0.000 2.716 318 R HA 0.738 5.079 4.340 0.000 0.000 0.271 318 R C -1.364 174.891 176.300 -0.075 0.000 1.028 318 R CA -0.799 55.254 56.100 -0.079 0.000 0.883 318 R CB 1.267 31.399 30.300 -0.279 0.000 1.250 318 R HN 1.097 nan 8.270 nan 0.000 0.465 319 A N 0.531 123.297 122.820 -0.091 0.000 2.587 319 A HA 0.371 4.691 4.320 0.000 0.000 0.293 319 A C 0.101 177.644 177.584 -0.069 0.000 1.087 319 A CA -0.814 51.190 52.037 -0.056 0.000 0.692 319 A CB 1.874 20.865 19.000 -0.014 0.000 1.291 319 A HN 0.913 nan 8.150 nan 0.000 0.407 320 E N -0.024 120.148 120.200 -0.047 0.000 2.160 320 E HA -0.137 4.213 4.350 0.000 0.000 0.195 320 E C 0.669 177.248 176.600 -0.035 0.000 0.991 320 E CA 1.162 57.535 56.400 -0.044 0.000 0.810 320 E CB 0.162 29.846 29.700 -0.027 0.000 0.742 320 E HN 0.444 nan 8.360 nan 0.000 0.466 321 R N -0.117 120.370 120.500 -0.020 0.000 2.561 321 R HA 0.320 4.660 4.340 0.000 0.000 0.266 321 R C -2.067 174.236 176.300 0.005 0.000 1.091 321 R CA -0.303 55.791 56.100 -0.010 0.000 0.927 321 R CB 1.927 32.224 30.300 -0.005 0.000 1.240 321 R HN -0.138 nan 8.270 nan 0.000 0.449 322 V N 4.454 124.374 119.914 0.010 0.000 2.487 322 V HA 0.511 4.631 4.120 0.000 0.000 0.298 322 V C -0.514 175.596 176.094 0.027 0.000 1.028 322 V CA -0.700 61.616 62.300 0.027 0.000 0.860 322 V CB 1.754 33.597 31.823 0.034 0.000 0.991 322 V HN 0.666 nan 8.190 nan 0.000 0.427 323 R N 5.663 126.178 120.500 0.026 0.000 2.343 323 R HA 0.710 5.050 4.340 0.000 0.000 0.320 323 R C -1.395 174.917 176.300 0.021 0.000 0.956 323 R CA -0.448 55.667 56.100 0.025 0.000 0.836 323 R CB 1.047 31.355 30.300 0.013 0.000 1.151 323 R HN 0.700 nan 8.270 nan 0.000 0.450 324 I N 3.277 123.886 120.570 0.065 0.000 2.433 324 I HA 0.351 4.521 4.170 0.000 0.000 0.292 324 I C -0.053 176.154 176.117 0.151 0.000 1.001 324 I CA -0.740 60.612 61.300 0.086 0.000 1.119 324 I CB 2.315 40.419 38.000 0.173 0.000 1.289 324 I HN 0.576 nan 8.210 nan 0.000 0.438 325 T N 3.554 118.091 114.554 -0.029 0.000 2.940 325 T HA 0.220 4.570 4.350 0.000 0.000 0.288 325 T C 0.829 175.156 174.700 -0.622 0.000 1.045 325 T CA -0.667 61.355 62.100 -0.130 0.000 1.018 325 T CB 2.196 70.997 68.868 -0.111 0.000 1.151 325 T HN 0.601 nan 8.240 nan 0.000 0.529 326 K N 0.230 120.145 120.400 -0.809 0.000 2.442 326 K HA -0.046 4.274 4.320 0.000 0.000 0.198 326 K C 0.358 176.680 176.600 -0.462 0.000 1.042 326 K CA 1.304 56.989 56.287 -1.003 0.000 0.958 326 K CB 0.211 32.396 32.500 -0.525 0.000 0.766 326 K HN 0.408 nan 8.250 nan 0.000 0.474 327 D N -0.607 119.605 120.400 -0.314 0.000 2.498 327 D HA 0.032 4.672 4.640 0.000 0.000 0.223 327 D C -0.345 175.833 176.300 -0.203 0.000 1.125 327 D CA 0.170 54.050 54.000 -0.199 0.000 0.835 327 D CB 0.947 41.671 40.800 -0.127 0.000 1.086 327 D HN 0.210 nan 8.370 nan 0.000 0.510 328 E N 0.463 120.519 120.200 -0.240 0.000 2.335 328 E HA 0.304 4.654 4.350 0.000 0.000 0.280 328 E C -1.433 174.983 176.600 -0.307 0.000 0.918 328 E CA -0.322 55.916 56.400 -0.269 0.000 0.765 328 E CB 2.019 31.610 29.700 -0.182 0.000 1.218 328 E HN -0.275 nan 8.360 nan 0.000 0.425 329 T N 2.432 116.683 114.554 -0.506 0.000 2.824 329 T HA 0.515 4.865 4.350 0.000 0.000 0.280 329 T C -0.895 173.660 174.700 -0.242 0.000 0.995 329 T CA -0.421 61.416 62.100 -0.437 0.000 1.009 329 T CB 1.554 69.957 68.868 -0.776 0.000 0.955 329 T HN 0.372 nan 8.240 nan 0.000 0.452 330 T N 3.260 117.774 114.554 -0.067 0.000 2.881 330 T HA 0.562 4.912 4.350 0.000 0.000 0.290 330 T C -0.375 174.365 174.700 0.067 0.000 1.000 330 T CA -0.561 61.546 62.100 0.010 0.000 0.978 330 T CB 0.859 69.717 68.868 -0.018 0.000 0.997 330 T HN 0.443 nan 8.240 nan 0.000 0.443 331 I N 3.034 123.673 120.570 0.115 0.000 2.405 331 I HA 0.392 4.562 4.170 0.000 0.000 0.280 331 I C -0.559 175.602 176.117 0.073 0.000 1.027 331 I CA -0.918 60.446 61.300 0.106 0.000 1.161 331 I CB 1.335 39.427 38.000 0.154 0.000 1.300 331 I HN 0.271 nan 8.210 nan 0.000 0.463 332 V N 5.081 125.018 119.914 0.039 0.000 2.427 332 V HA 0.628 4.748 4.120 0.000 0.000 0.286 332 V C 0.846 176.947 176.094 0.013 0.000 1.034 332 V CA -0.141 62.171 62.300 0.021 0.000 0.893 332 V CB 1.268 33.093 31.823 0.004 0.000 0.982 332 V HN 1.030 nan 8.190 nan 0.000 0.452 333 G N 3.667 112.475 108.800 0.014 0.000 2.255 333 G HA2 -0.102 3.858 3.960 0.000 0.000 0.239 333 G HA3 -0.102 3.858 3.960 0.000 0.000 0.239 333 G C 0.421 175.323 174.900 0.003 0.000 1.083 333 G CA -0.333 44.770 45.100 0.005 0.000 0.826 333 G HN 1.370 nan 8.290 nan 0.000 0.493 334 G N -0.432 108.379 108.800 0.017 0.000 2.353 334 G HA2 0.409 4.369 3.960 0.000 0.000 0.239 334 G HA3 0.409 4.369 3.960 0.000 0.000 0.239 334 G C 0.628 175.528 174.900 -0.000 0.000 1.295 334 G CA 0.027 45.134 45.100 0.011 0.000 0.884 334 G HN 0.480 nan 8.290 nan 0.000 0.537 335 K N 2.080 122.474 120.400 -0.011 0.000 2.514 335 K HA 0.180 4.500 4.320 0.000 0.000 0.207 335 K C 1.415 178.009 176.600 -0.010 0.000 1.035 335 K CA -0.190 56.090 56.287 -0.013 0.000 1.113 335 K CB 0.935 33.420 32.500 -0.025 0.000 0.846 335 K HN 0.561 nan 8.250 nan 0.000 0.491 336 G N 1.220 110.013 108.800 -0.012 0.000 2.651 336 G HA2 0.033 3.993 3.960 0.000 0.000 0.260 336 G HA3 0.033 3.993 3.960 0.000 0.000 0.260 336 G C -0.541 174.351 174.900 -0.012 0.000 1.216 336 G CA -0.532 44.559 45.100 -0.016 0.000 0.913 336 G HN 0.135 nan 8.290 nan 0.000 0.535 337 K N 0.480 120.871 120.400 -0.015 0.000 2.383 337 K HA 0.058 4.378 4.320 0.000 0.000 0.286 337 K C 1.297 177.891 176.600 -0.011 0.000 1.051 337 K CA -0.240 56.040 56.287 -0.012 0.000 0.974 337 K CB 1.507 33.998 32.500 -0.014 0.000 0.968 337 K HN 0.613 nan 8.250 nan 0.000 0.475 338 K N 3.416 123.812 120.400 -0.006 0.000 2.304 338 K HA -0.277 4.043 4.320 0.000 0.000 0.204 338 K C 0.607 177.203 176.600 -0.006 0.000 1.044 338 K CA 1.760 58.045 56.287 -0.003 0.000 0.932 338 K CB 0.212 32.712 32.500 -0.000 0.000 0.735 338 K HN 0.568 nan 8.250 nan 0.000 0.468 339 E N 0.433 120.627 120.200 -0.010 0.000 2.016 339 E HA -0.146 4.204 4.350 0.000 0.000 0.190 339 E C 1.767 178.358 176.600 -0.016 0.000 0.985 339 E CA 1.182 57.575 56.400 -0.012 0.000 0.802 339 E CB -0.093 29.600 29.700 -0.012 0.000 0.762 339 E HN 0.358 nan 8.360 nan 0.000 0.448 340 D N 1.075 121.463 120.400 -0.021 0.000 2.158 340 D HA -0.184 4.456 4.640 0.000 0.000 0.197 340 D C 2.066 178.348 176.300 -0.031 0.000 0.995 340 D CA 1.019 55.002 54.000 -0.029 0.000 0.846 340 D CB -0.176 40.602 40.800 -0.036 0.000 0.941 340 D HN 0.198 nan 8.370 nan 0.000 0.456 341 I N 1.251 121.806 120.570 -0.025 0.000 2.090 341 I HA -0.248 3.922 4.170 0.000 0.000 0.236 341 I C 2.278 178.388 176.117 -0.011 0.000 1.064 341 I CA 1.221 62.508 61.300 -0.021 0.000 1.324 341 I CB -0.310 37.685 38.000 -0.007 0.000 1.044 341 I HN -0.085 nan 8.210 nan 0.000 0.399 342 E N 0.865 121.061 120.200 -0.006 0.000 2.333 342 E HA -0.228 4.122 4.350 0.000 0.000 0.200 342 E C 2.131 178.727 176.600 -0.007 0.000 1.010 342 E CA 1.013 57.412 56.400 -0.003 0.000 0.841 342 E CB -0.185 29.514 29.700 -0.002 0.000 0.757 342 E HN 0.538 nan 8.360 nan 0.000 0.508 343 A N 1.522 124.335 122.820 -0.013 0.000 1.873 343 A HA -0.173 4.147 4.320 0.000 0.000 0.215 343 A C 2.023 179.597 177.584 -0.016 0.000 1.186 343 A CA 1.042 53.069 52.037 -0.016 0.000 0.616 343 A CB -0.112 18.875 19.000 -0.022 0.000 0.823 343 A HN 0.019 nan 8.150 nan 0.000 0.442 344 R N 0.095 120.582 120.500 -0.021 0.000 2.062 344 R HA 0.013 4.353 4.340 0.000 0.000 0.231 344 R C 2.017 178.314 176.300 -0.005 0.000 1.136 344 R CA 1.379 57.467 56.100 -0.020 0.000 0.948 344 R CB -1.374 28.905 30.300 -0.034 0.000 0.845 344 R HN 0.635 nan 8.270 nan 0.000 0.430 345 I N 1.821 122.392 120.570 0.002 0.000 2.143 345 I HA -0.370 3.800 4.170 0.000 0.000 0.245 345 I C 1.816 177.937 176.117 0.006 0.000 1.068 345 I CA 1.582 62.889 61.300 0.011 0.000 1.326 345 I CB -0.438 37.571 38.000 0.013 0.000 1.028 345 I HN 0.209 nan 8.210 nan 0.000 0.412 346 N N 0.838 119.538 118.700 0.001 0.000 2.207 346 N HA -0.058 4.682 4.740 0.000 0.000 0.182 346 N C 1.952 177.461 175.510 -0.002 0.000 1.020 346 N CA 1.498 54.547 53.050 -0.001 0.000 0.858 346 N CB -0.555 37.930 38.487 -0.003 0.000 0.991 346 N HN 0.409 nan 8.380 nan 0.000 0.427 347 G N 1.266 110.063 108.800 -0.004 0.000 2.470 347 G HA2 -0.151 3.809 3.960 0.000 0.000 0.220 347 G HA3 -0.151 3.809 3.960 0.000 0.000 0.220 347 G C 1.536 176.434 174.900 -0.003 0.000 1.121 347 G CA 0.074 45.171 45.100 -0.005 0.000 0.766 347 G HN 0.265 nan 8.290 nan 0.000 0.553 348 I N -0.564 120.006 120.570 -0.000 0.000 2.480 348 I HA 0.028 4.198 4.170 0.000 0.000 0.251 348 I C 2.564 178.682 176.117 0.002 0.000 1.124 348 I CA 0.746 62.047 61.300 0.003 0.000 1.444 348 I CB 0.082 38.087 38.000 0.009 0.000 1.098 348 I HN 0.091 nan 8.210 nan 0.000 0.428 349 K N 0.526 120.928 120.400 0.002 0.000 2.155 349 K HA -0.117 4.203 4.320 0.000 0.000 0.203 349 K C 2.003 178.603 176.600 0.001 0.000 1.052 349 K CA 0.980 57.268 56.287 0.002 0.000 0.948 349 K CB 0.022 32.523 32.500 0.002 0.000 0.728 349 K HN 0.257 nan 8.250 nan 0.000 0.448 350 K N 1.214 121.614 120.400 0.000 0.000 2.026 350 K HA -0.186 4.134 4.320 0.000 0.000 0.208 350 K C 2.099 178.700 176.600 0.001 0.000 1.048 350 K CA 1.364 57.651 56.287 0.000 0.000 0.929 350 K CB -0.016 32.483 32.500 -0.001 0.000 0.713 350 K HN 0.203 nan 8.250 nan 0.000 0.439 351 E N 0.913 121.113 120.200 0.001 0.000 2.338 351 E HA -0.155 4.195 4.350 0.000 0.000 0.197 351 E C 1.754 178.355 176.600 0.001 0.000 1.007 351 E CA 0.271 56.672 56.400 0.002 0.000 0.849 351 E CB 0.161 29.862 29.700 0.001 0.000 0.774 351 E HN 0.074 nan 8.360 nan 0.000 0.506 352 L N 1.118 122.341 121.223 0.000 0.000 2.240 352 L HA -0.039 4.301 4.340 0.000 0.000 0.211 352 L C 1.556 178.427 176.870 0.001 0.000 1.106 352 L CA 1.612 56.451 54.840 -0.001 0.000 0.793 352 L CB 0.001 42.059 42.059 -0.002 0.000 0.927 352 L HN 0.086 nan 8.230 nan 0.000 0.446 353 E N -1.882 118.319 120.200 0.002 0.000 2.299 353 E HA -0.063 4.288 4.350 0.000 0.000 0.193 353 E C 1.504 178.107 176.600 0.004 0.000 0.998 353 E CA 1.126 57.528 56.400 0.003 0.000 0.851 353 E CB 0.088 29.790 29.700 0.002 0.000 0.795 353 E HN 0.397 nan 8.360 nan 0.000 0.492 354 T N 0.447 115.004 114.554 0.005 0.000 3.081 354 T HA 0.021 4.371 4.350 0.000 0.000 0.255 354 T C 0.750 175.455 174.700 0.009 0.000 1.113 354 T CA 0.314 62.418 62.100 0.007 0.000 1.082 354 T CB 0.206 69.077 68.868 0.006 0.000 0.939 354 T HN 0.025 nan 8.240 nan 0.000 0.506 355 T N 3.142 117.701 114.554 0.008 0.000 2.913 355 T HA 0.140 4.491 4.350 0.000 0.000 0.297 355 T C 0.848 175.557 174.700 0.014 0.000 1.029 355 T CA -0.363 61.744 62.100 0.011 0.000 1.104 355 T CB 0.768 69.640 68.868 0.006 0.000 0.964 355 T HN 0.406 nan 8.240 nan 0.000 0.532 356 D N -0.118 120.294 120.400 0.020 0.000 2.403 356 D HA -0.006 4.634 4.640 0.000 0.000 0.280 356 D C 0.651 176.970 176.300 0.031 0.000 1.091 356 D CA -0.102 53.911 54.000 0.022 0.000 0.884 356 D CB -0.144 40.669 40.800 0.021 0.000 1.427 356 D HN 0.508 nan 8.370 nan 0.000 0.504 357 S N 0.997 116.722 115.700 0.042 0.000 2.455 357 S HA 0.154 4.624 4.470 0.000 0.000 0.278 357 S C 0.938 175.580 174.600 0.070 0.000 1.216 357 S CA -0.501 57.737 58.200 0.064 0.000 1.055 357 S CB 1.705 64.958 63.200 0.089 0.000 0.939 357 S HN 0.062 nan 8.310 nan 0.000 0.494 358 E N 1.598 121.841 120.200 0.070 0.000 2.147 358 E HA -0.267 4.083 4.350 0.000 0.000 0.199 358 E C 1.147 177.797 176.600 0.083 0.000 1.005 358 E CA 1.829 58.267 56.400 0.065 0.000 0.810 358 E CB -0.356 29.384 29.700 0.067 0.000 0.736 358 E HN 0.930 nan 8.360 nan 0.000 0.460 359 Y N 1.130 121.438 120.300 0.015 0.000 2.114 359 Y HA -0.213 4.337 4.550 0.000 0.000 0.284 359 Y C 2.329 178.243 175.900 0.023 0.000 1.143 359 Y CA 1.410 59.521 58.100 0.018 0.000 1.135 359 Y CB -0.637 37.833 38.460 0.017 0.000 0.980 359 Y HN -0.008 nan 8.280 nan 0.000 0.499 360 A N 0.630 123.403 122.820 -0.078 0.000 1.908 360 A HA -0.242 4.079 4.320 0.000 0.000 0.218 360 A C 2.317 179.810 177.584 -0.151 0.000 1.181 360 A CA 1.999 53.950 52.037 -0.142 0.000 0.627 360 A CB -0.702 18.298 19.000 0.001 0.000 0.818 360 A HN 0.566 nan 8.150 nan 0.000 0.445 361 R N -0.414 120.035 120.500 -0.084 0.000 2.080 361 R HA -0.163 4.177 4.340 0.000 0.000 0.236 361 R C 2.198 178.445 176.300 -0.088 0.000 1.137 361 R CA 1.771 57.834 56.100 -0.061 0.000 0.943 361 R CB -0.428 29.857 30.300 -0.024 0.000 0.846 361 R HN 0.690 nan 8.270 nan 0.000 0.431 362 E N 0.736 120.867 120.200 -0.115 0.000 2.130 362 E HA -0.250 4.100 4.350 0.000 0.000 0.196 362 E C 1.969 178.486 176.600 -0.139 0.000 0.998 362 E CA 1.703 58.039 56.400 -0.108 0.000 0.806 362 E CB -0.048 29.595 29.700 -0.096 0.000 0.738 362 E HN 0.461 nan 8.360 nan 0.000 0.459 363 K N 0.496 120.754 120.400 -0.238 0.000 2.103 363 K HA -0.098 4.222 4.320 0.000 0.000 0.204 363 K C 2.026 178.568 176.600 -0.097 0.000 1.052 363 K CA 0.864 57.034 56.287 -0.195 0.000 0.945 363 K CB -0.188 32.130 32.500 -0.304 0.000 0.722 363 K HN -0.024 nan 8.250 nan 0.000 0.443 364 L N 1.887 123.060 121.223 -0.083 0.000 2.083 364 L HA -0.132 4.208 4.340 0.000 0.000 0.209 364 L C 2.646 179.502 176.870 -0.023 0.000 1.083 364 L CA 1.445 56.264 54.840 -0.035 0.000 0.752 364 L CB -0.545 41.498 42.059 -0.028 0.000 0.899 364 L HN 0.208 nan 8.230 nan 0.000 0.433 365 Q N 0.192 119.969 119.800 -0.037 0.000 2.077 365 Q HA -0.269 4.071 4.340 0.000 0.000 0.206 365 Q C 2.107 178.096 176.000 -0.018 0.000 0.989 365 Q CA 2.203 57.991 55.803 -0.024 0.000 0.853 365 Q CB -0.485 28.235 28.738 -0.030 0.000 0.907 365 Q HN 0.770 nan 8.270 nan 0.000 0.418 366 E N 0.318 120.499 120.200 -0.031 0.000 2.077 366 E HA -0.161 4.189 4.350 0.000 0.000 0.193 366 E C 2.090 178.675 176.600 -0.025 0.000 0.989 366 E CA 0.758 57.138 56.400 -0.034 0.000 0.800 366 E CB -0.361 29.310 29.700 -0.048 0.000 0.746 366 E HN 0.217 nan 8.360 nan 0.000 0.452 367 R N 0.289 120.791 120.500 0.003 0.000 2.083 367 R HA -0.137 4.203 4.340 0.000 0.000 0.237 367 R C 2.541 178.892 176.300 0.086 0.000 1.137 367 R CA 1.455 57.601 56.100 0.077 0.000 0.951 367 R CB -0.555 29.809 30.300 0.108 0.000 0.851 367 R HN 0.190 nan 8.270 nan 0.000 0.434 368 L N 0.747 121.997 121.223 0.045 0.000 2.012 368 L HA -0.154 4.187 4.340 0.000 0.000 0.210 368 L C 2.170 179.063 176.870 0.039 0.000 1.073 368 L CA 2.150 57.013 54.840 0.039 0.000 0.748 368 L CB -0.658 41.412 42.059 0.019 0.000 0.891 368 L HN 0.163 nan 8.230 nan 0.000 0.431 369 A N -1.351 121.482 122.820 0.022 0.000 2.066 369 A HA -0.132 4.188 4.320 0.000 0.000 0.218 369 A C 2.261 179.858 177.584 0.021 0.000 1.157 369 A CA 1.390 53.438 52.037 0.018 0.000 0.670 369 A CB -0.379 18.622 19.000 0.002 0.000 0.804 369 A HN 0.517 nan 8.150 nan 0.000 0.453 370 K N -0.286 120.124 120.400 0.016 0.000 1.991 370 K HA 0.057 4.377 4.320 0.000 0.000 0.207 370 K C 1.822 178.490 176.600 0.112 0.000 1.045 370 K CA 1.228 57.520 56.287 0.008 0.000 0.937 370 K CB -0.376 32.040 32.500 -0.139 0.000 0.720 370 K HN 0.412 nan 8.250 nan 0.000 0.438 371 L N 1.312 122.638 121.223 0.171 0.000 1.970 371 L HA -0.133 4.207 4.340 0.000 0.000 0.212 371 L C 1.483 178.410 176.870 0.094 0.000 1.071 371 L CA 0.756 55.688 54.840 0.153 0.000 0.751 371 L CB -0.640 41.492 42.059 0.122 0.000 0.889 371 L HN 0.148 nan 8.230 nan 0.000 0.432 372 A N -0.751 122.113 122.820 0.072 0.000 2.327 372 A HA 0.415 4.735 4.320 0.000 0.000 0.255 372 A C 1.446 179.072 177.584 0.070 0.000 1.099 372 A CA 0.351 52.422 52.037 0.058 0.000 0.801 372 A CB -0.152 18.873 19.000 0.042 0.000 1.062 372 A HN 0.565 nan 8.150 nan 0.000 0.496 373 G N -0.666 108.181 108.800 0.078 0.000 2.855 373 G HA2 0.052 4.012 3.960 0.000 0.000 0.231 373 G HA3 0.052 4.012 3.960 0.000 0.000 0.231 373 G C 1.808 176.798 174.900 0.149 0.000 1.242 373 G CA 1.447 46.615 45.100 0.115 0.000 0.789 373 G HN 3.011 nan 8.290 nan 0.000 0.517 374 G N -1.822 107.042 108.800 0.106 0.000 2.520 374 G HA2 0.106 4.066 3.960 0.000 0.000 0.248 374 G HA3 0.106 4.066 3.960 0.000 0.000 0.248 374 G C 0.044 174.977 174.900 0.056 0.000 1.161 374 G CA 1.014 46.173 45.100 0.098 0.000 0.946 374 G HN 1.789 nan 8.290 nan 0.000 0.565 375 V N 1.443 121.371 119.914 0.023 0.000 2.538 375 V HA 0.659 4.779 4.120 0.000 0.000 0.265 375 V C 0.683 176.675 176.094 -0.169 0.000 0.977 375 V CA 0.062 62.334 62.300 -0.047 0.000 0.852 375 V CB 0.705 32.520 31.823 -0.013 0.000 1.058 375 V HN 2.011 nan 8.190 nan 0.000 0.462 376 A N 4.549 127.180 122.820 -0.315 0.000 2.515 376 A HA 0.516 4.836 4.320 0.000 0.000 0.263 376 A C -0.078 177.285 177.584 -0.368 0.000 1.096 376 A CA 0.354 52.003 52.037 -0.646 0.000 0.769 376 A CB 0.143 18.721 19.000 -0.703 0.000 1.040 376 A HN 0.638 nan 8.150 nan 0.000 0.505 377 V N 4.327 124.047 119.914 -0.323 0.000 2.581 377 V HA 0.390 4.510 4.120 0.000 0.000 0.303 377 V C 0.075 176.082 176.094 -0.146 0.000 1.041 377 V CA -0.359 61.839 62.300 -0.170 0.000 0.907 377 V CB 1.842 33.607 31.823 -0.097 0.000 0.994 377 V HN 0.719 nan 8.190 nan 0.000 0.442 378 I N 4.976 125.489 120.570 -0.094 0.000 2.503 378 I HA 0.370 4.540 4.170 0.000 0.000 0.277 378 I C 0.116 176.222 176.117 -0.019 0.000 1.078 378 I CA -0.630 60.627 61.300 -0.072 0.000 1.184 378 I CB 0.625 38.574 38.000 -0.086 0.000 1.353 378 I HN 0.458 nan 8.210 nan 0.000 0.490 379 R N 4.159 124.651 120.500 -0.012 0.000 2.446 379 R HA 0.170 4.510 4.340 0.000 0.000 0.314 379 R C -0.467 175.859 176.300 0.043 0.000 1.003 379 R CA -0.156 55.953 56.100 0.015 0.000 1.018 379 R CB 0.674 30.981 30.300 0.011 0.000 0.945 379 R HN 0.251 nan 8.270 nan 0.000 0.419 380 V N 3.187 123.149 119.914 0.080 0.000 2.385 380 V HA 0.286 4.406 4.120 0.000 0.000 0.269 380 V C 1.071 177.229 176.094 0.107 0.000 1.043 380 V CA -0.584 61.805 62.300 0.148 0.000 0.906 380 V CB 1.423 33.368 31.823 0.204 0.000 0.995 380 V HN 0.836 nan 8.190 nan 0.000 0.467 381 G N 3.330 112.199 108.800 0.115 0.000 2.356 381 G HA2 0.708 4.668 3.960 0.000 0.000 0.298 381 G HA3 0.708 4.668 3.960 0.000 0.000 0.298 381 G C -0.165 174.779 174.900 0.072 0.000 1.145 381 G CA 0.414 45.559 45.100 0.076 0.000 0.850 381 G HN 1.077 nan 8.290 nan 0.000 0.487 382 A N 0.983 123.827 122.820 0.040 0.000 3.005 382 A HA 0.938 5.258 4.320 0.000 0.000 0.282 382 A C 0.559 178.152 177.584 0.015 0.000 1.218 382 A CA 0.350 52.400 52.037 0.022 0.000 0.703 382 A CB 0.721 19.724 19.000 0.005 0.000 1.387 382 A HN 1.804 nan 8.150 nan 0.000 0.592 383 A N -1.937 120.887 122.820 0.006 0.000 2.167 383 A HA 0.530 4.850 4.320 0.000 0.000 0.184 383 A C 0.558 178.141 177.584 -0.001 0.000 1.675 383 A CA 1.304 53.343 52.037 0.004 0.000 1.215 383 A CB 0.045 19.047 19.000 0.004 0.000 1.427 383 A HN 0.817 nan 8.150 nan 0.000 0.457 384 T N -0.816 113.735 114.554 -0.006 0.000 2.924 384 T HA 0.350 4.700 4.350 0.000 0.000 0.291 384 T C 0.614 175.306 174.700 -0.012 0.000 1.045 384 T CA -0.213 61.881 62.100 -0.009 0.000 1.015 384 T CB 2.262 71.122 68.868 -0.013 0.000 1.103 384 T HN 0.300 nan 8.240 nan 0.000 0.496 385 E N 0.573 120.766 120.200 -0.013 0.000 2.204 385 E HA -0.116 4.234 4.350 0.000 0.000 0.194 385 E C 1.322 177.909 176.600 -0.022 0.000 0.989 385 E CA 1.155 57.547 56.400 -0.014 0.000 0.824 385 E CB 0.137 29.829 29.700 -0.013 0.000 0.756 385 E HN 0.643 nan 8.360 nan 0.000 0.477 386 T N 0.449 114.989 114.554 -0.024 0.000 2.706 386 T HA -0.168 4.182 4.350 0.000 0.000 0.255 386 T C 1.669 176.345 174.700 -0.040 0.000 1.048 386 T CA 1.184 63.264 62.100 -0.032 0.000 1.153 386 T CB -0.398 68.453 68.868 -0.029 0.000 0.865 386 T HN 0.286 nan 8.240 nan 0.000 0.414 387 E N 0.547 120.725 120.200 -0.036 0.000 2.187 387 E HA -0.218 4.132 4.350 0.000 0.000 0.199 387 E C 2.067 178.631 176.600 -0.061 0.000 1.004 387 E CA 0.976 57.349 56.400 -0.045 0.000 0.813 387 E CB -0.182 29.500 29.700 -0.030 0.000 0.736 387 E HN 0.275 nan 8.360 nan 0.000 0.468 388 L N 1.185 122.382 121.223 -0.044 0.000 2.007 388 L HA -0.129 4.211 4.340 0.000 0.000 0.205 388 L C 2.127 178.964 176.870 -0.055 0.000 1.073 388 L CA 1.868 56.682 54.840 -0.043 0.000 0.744 388 L CB -0.318 41.730 42.059 -0.018 0.000 0.898 388 L HN -0.055 nan 8.230 nan 0.000 0.435 389 K N -0.541 119.833 120.400 -0.043 0.000 2.127 389 K HA -0.263 4.057 4.320 0.000 0.000 0.208 389 K C 2.084 178.654 176.600 -0.050 0.000 1.047 389 K CA 1.751 58.014 56.287 -0.039 0.000 0.927 389 K CB -0.285 32.187 32.500 -0.046 0.000 0.716 389 K HN 0.471 nan 8.250 nan 0.000 0.450 390 E N 1.543 121.697 120.200 -0.078 0.000 2.016 390 E HA -0.169 4.181 4.350 0.000 0.000 0.190 390 E C 1.795 178.288 176.600 -0.178 0.000 0.985 390 E CA 1.281 57.624 56.400 -0.094 0.000 0.802 390 E CB 0.151 29.793 29.700 -0.096 0.000 0.762 390 E HN 0.214 nan 8.360 nan 0.000 0.448 391 K N 0.649 120.870 120.400 -0.297 0.000 2.063 391 K HA -0.203 4.117 4.320 0.000 0.000 0.208 391 K C 2.247 178.491 176.600 -0.593 0.000 1.048 391 K CA 1.455 57.321 56.287 -0.701 0.000 0.928 391 K CB -0.187 31.937 32.500 -0.628 0.000 0.713 391 K HN -0.095 nan 8.250 nan 0.000 0.442 392 K N 1.123 121.394 120.400 -0.215 0.000 2.001 392 K HA -0.250 4.070 4.320 0.000 0.000 0.214 392 K C 2.008 178.600 176.600 -0.014 0.000 1.050 392 K CA 2.040 58.297 56.287 -0.050 0.000 0.934 392 K CB -0.678 31.823 32.500 0.001 0.000 0.718 392 K HN 0.212 nan 8.250 nan 0.000 0.443 393 H N -0.100 118.907 119.070 -0.105 0.000 2.267 393 H HA -0.027 4.529 4.556 0.000 0.000 0.297 393 H C 2.226 177.512 175.328 -0.069 0.000 1.080 393 H CA 2.551 58.558 56.048 -0.069 0.000 1.278 393 H CB -0.147 29.573 29.762 -0.071 0.000 1.365 393 H HN 0.266 nan 8.280 nan 0.000 0.489 394 R N -0.480 119.969 120.500 -0.084 0.000 2.115 394 R HA -0.191 4.149 4.340 0.000 0.000 0.239 394 R C 2.409 178.704 176.300 -0.009 0.000 1.133 394 R CA 2.363 58.393 56.100 -0.117 0.000 0.935 394 R CB -0.612 29.567 30.300 -0.202 0.000 0.853 394 R HN 0.414 nan 8.270 nan 0.000 0.433 395 F N 0.128 120.053 119.950 -0.041 0.000 2.134 395 F HA -0.204 4.323 4.527 0.000 0.000 0.299 395 F C 2.624 178.381 175.800 -0.071 0.000 1.097 395 F CA 0.994 58.966 58.000 -0.046 0.000 1.264 395 F CB -0.235 38.747 39.000 -0.030 0.000 1.001 395 F HN 0.323 nan 8.300 nan 0.000 0.479 396 E N 0.700 120.952 120.200 0.088 0.000 2.077 396 E HA -0.227 4.124 4.350 0.000 0.000 0.193 396 E C 1.670 178.232 176.600 -0.065 0.000 0.989 396 E CA 1.562 57.959 56.400 -0.005 0.000 0.800 396 E CB -0.006 29.668 29.700 -0.043 0.000 0.746 396 E HN 0.304 nan 8.360 nan 0.000 0.452 397 D N 0.149 120.463 120.400 -0.144 0.000 2.084 397 D HA -0.150 4.490 4.640 0.000 0.000 0.194 397 D C 1.900 178.165 176.300 -0.059 0.000 0.990 397 D CA 1.328 55.240 54.000 -0.147 0.000 0.826 397 D CB -0.452 40.213 40.800 -0.225 0.000 0.971 397 D HN 0.270 nan 8.370 nan 0.000 0.453 398 A N 1.072 123.883 122.820 -0.014 0.000 1.927 398 A HA -0.217 4.104 4.320 0.000 0.000 0.220 398 A C 2.166 179.748 177.584 -0.003 0.000 1.185 398 A CA 1.438 53.484 52.037 0.015 0.000 0.639 398 A CB -0.792 18.254 19.000 0.075 0.000 0.820 398 A HN 0.257 nan 8.150 nan 0.000 0.451 399 L N 0.661 121.881 121.223 -0.005 0.000 1.961 399 L HA -0.176 4.164 4.340 0.000 0.000 0.210 399 L C 1.995 178.848 176.870 -0.028 0.000 1.072 399 L CA 2.497 57.324 54.840 -0.021 0.000 0.749 399 L CB -0.987 41.059 42.059 -0.022 0.000 0.889 399 L HN 0.416 nan 8.230 nan 0.000 0.432 400 N N 0.366 119.045 118.700 -0.034 0.000 2.094 400 N HA -0.240 4.500 4.740 0.000 0.000 0.191 400 N C 1.776 177.269 175.510 -0.029 0.000 1.023 400 N CA 1.711 54.740 53.050 -0.035 0.000 0.857 400 N CB -0.553 37.907 38.487 -0.043 0.000 1.013 400 N HN 0.571 nan 8.380 nan 0.000 0.426 401 A N 1.261 124.064 122.820 -0.029 0.000 1.841 401 A HA -0.175 4.145 4.320 0.000 0.000 0.216 401 A C 2.468 180.041 177.584 -0.018 0.000 1.199 401 A CA 2.538 54.562 52.037 -0.023 0.000 0.621 401 A CB -1.373 17.615 19.000 -0.021 0.000 0.835 401 A HN 0.353 nan 8.150 nan 0.000 0.445 402 T N 0.111 114.654 114.554 -0.018 0.000 2.699 402 T HA -0.205 4.145 4.350 0.000 0.000 0.268 402 T C 1.985 176.676 174.700 -0.016 0.000 1.036 402 T CA 1.663 63.754 62.100 -0.016 0.000 1.147 402 T CB -0.350 68.507 68.868 -0.018 0.000 0.862 402 T HN 0.498 nan 8.240 nan 0.000 0.446 403 R N 1.123 121.612 120.500 -0.019 0.000 2.081 403 R HA 0.048 4.388 4.340 0.000 0.000 0.235 403 R C 2.895 179.186 176.300 -0.014 0.000 1.131 403 R CA 1.367 57.456 56.100 -0.018 0.000 0.960 403 R CB -0.619 29.667 30.300 -0.023 0.000 0.856 403 R HN 0.424 nan 8.270 nan 0.000 0.436 404 A N 1.563 124.374 122.820 -0.015 0.000 1.898 404 A HA -0.045 4.275 4.320 0.000 0.000 0.216 404 A C 2.445 180.024 177.584 -0.009 0.000 1.181 404 A CA 1.477 53.507 52.037 -0.012 0.000 0.620 404 A CB -0.568 18.424 19.000 -0.013 0.000 0.819 404 A HN 0.372 nan 8.150 nan 0.000 0.442 405 A N -0.455 122.360 122.820 -0.010 0.000 1.948 405 A HA -0.091 4.229 4.320 0.000 0.000 0.220 405 A C 2.182 179.763 177.584 -0.005 0.000 1.177 405 A CA 2.028 54.060 52.037 -0.008 0.000 0.636 405 A CB -0.884 18.110 19.000 -0.009 0.000 0.815 405 A HN 0.440 nan 8.150 nan 0.000 0.449 406 V N -0.136 119.774 119.914 -0.006 0.000 2.548 406 V HA -0.210 3.910 4.120 0.000 0.000 0.249 406 V C 2.313 178.406 176.094 -0.002 0.000 1.055 406 V CA 1.982 64.279 62.300 -0.004 0.000 1.065 406 V CB -0.766 31.055 31.823 -0.005 0.000 0.681 406 V HN 0.642 nan 8.190 nan 0.000 0.462 407 E N 0.256 120.455 120.200 -0.003 0.000 2.051 407 E HA -0.193 4.157 4.350 0.000 0.000 0.192 407 E C 1.456 178.057 176.600 0.000 0.000 0.991 407 E CA 1.459 57.858 56.400 -0.001 0.000 0.799 407 E CB -0.002 29.697 29.700 -0.002 0.000 0.748 407 E HN 0.656 nan 8.360 nan 0.000 0.449 408 E N -0.853 119.347 120.200 -0.000 0.000 2.759 408 E HA 0.232 4.582 4.350 0.000 0.000 0.220 408 E C 0.040 176.641 176.600 0.001 0.000 0.974 408 E CA 0.087 56.488 56.400 0.001 0.000 1.148 408 E CB 1.637 31.338 29.700 0.001 0.000 1.059 408 E HN 0.238 nan 8.360 nan 0.000 0.493 409 G N 2.002 110.802 108.800 -0.000 0.000 2.760 409 G HA2 -0.232 3.728 3.960 0.000 0.000 0.246 409 G HA3 -0.232 3.728 3.960 0.000 0.000 0.246 409 G C -0.313 174.586 174.900 -0.001 0.000 1.359 409 G CA -0.296 44.804 45.100 0.000 0.000 0.861 409 G HN 0.243 nan 8.290 nan 0.000 0.541 410 I N -2.212 118.358 120.570 -0.000 0.000 2.740 410 I HA 0.911 5.082 4.170 0.000 0.000 0.303 410 I C 0.444 176.562 176.117 0.001 0.000 1.044 410 I CA -1.309 59.990 61.300 -0.002 0.000 1.064 410 I CB 2.062 40.059 38.000 -0.004 0.000 1.249 410 I HN 1.261 nan 8.210 nan 0.000 0.433 411 V N 0.383 120.297 119.914 -0.000 0.000 3.102 411 V HA 0.717 4.837 4.120 0.000 0.000 0.312 411 V C -2.862 173.232 176.094 -0.001 0.000 1.135 411 V CA -2.664 59.637 62.300 0.002 0.000 1.022 411 V CB 1.290 33.115 31.823 0.004 0.000 1.056 411 V HN 0.631 nan 8.190 nan 0.000 0.436 412 P HA 0.285 nan 4.420 nan 0.000 0.268 412 P C 0.354 177.645 177.300 -0.014 0.000 1.204 412 P CA 0.878 63.975 63.100 -0.005 0.000 0.768 412 P CB 0.534 32.238 31.700 0.006 0.000 0.842 413 G N 1.782 110.565 108.800 -0.028 0.000 2.509 413 G HA2 0.421 4.381 3.960 0.000 0.000 0.269 413 G HA3 0.421 4.381 3.960 0.000 0.000 0.269 413 G C 0.639 175.511 174.900 -0.047 0.000 1.416 413 G CA -0.357 44.722 45.100 -0.035 0.000 1.052 413 G HN 0.776 nan 8.290 nan 0.000 0.542 414 G N -1.946 106.822 108.800 -0.055 0.000 2.283 414 G HA2 0.201 4.161 3.960 0.000 0.000 0.280 414 G HA3 0.201 4.161 3.960 0.000 0.000 0.280 414 G C 1.566 176.445 174.900 -0.036 0.000 1.029 414 G CA 1.235 46.297 45.100 -0.063 0.000 0.840 414 G HN 2.454 nan 8.290 nan 0.000 0.505 415 G N -2.543 106.244 108.800 -0.021 0.000 2.284 415 G HA2 -0.306 3.654 3.960 0.000 0.000 0.261 415 G HA3 -0.306 3.654 3.960 0.000 0.000 0.261 415 G C 1.603 176.504 174.900 0.001 0.000 0.997 415 G CA 1.388 46.483 45.100 -0.007 0.000 0.621 415 G HN 1.511 nan 8.290 nan 0.000 0.534 416 V N 0.915 120.827 119.914 -0.003 0.000 2.317 416 V HA -0.279 3.841 4.120 0.000 0.000 0.251 416 V C 2.962 179.069 176.094 0.021 0.000 1.065 416 V CA 3.236 65.543 62.300 0.012 0.000 1.049 416 V CB -1.124 30.700 31.823 0.002 0.000 0.651 416 V HN 0.587 nan 8.190 nan 0.000 0.450 417 T N 0.001 114.563 114.554 0.013 0.000 2.746 417 T HA -0.118 4.232 4.350 0.000 0.000 0.267 417 T C 1.873 176.584 174.700 0.018 0.000 1.039 417 T CA 1.456 63.566 62.100 0.017 0.000 1.142 417 T CB -0.298 68.576 68.868 0.010 0.000 0.866 417 T HN 0.319 nan 8.240 nan 0.000 0.444 418 L N 0.383 121.614 121.223 0.014 0.000 2.131 418 L HA -0.050 4.290 4.340 0.000 0.000 0.210 418 L C 2.373 179.255 176.870 0.019 0.000 1.092 418 L CA 0.924 55.772 54.840 0.014 0.000 0.759 418 L CB -0.494 41.571 42.059 0.010 0.000 0.903 418 L HN 0.289 nan 8.230 nan 0.000 0.435 419 L N -0.899 120.339 121.223 0.025 0.000 2.027 419 L HA -0.165 4.175 4.340 0.000 0.000 0.206 419 L C 2.619 179.511 176.870 0.036 0.000 1.074 419 L CA 0.855 55.715 54.840 0.033 0.000 0.745 419 L CB -0.543 41.542 42.059 0.043 0.000 0.898 419 L HN 0.218 nan 8.230 nan 0.000 0.433 420 R N 0.394 120.917 120.500 0.039 0.000 2.303 420 R HA -0.075 4.265 4.340 0.000 0.000 0.225 420 R C 1.936 178.254 176.300 0.029 0.000 1.114 420 R CA 1.053 57.176 56.100 0.039 0.000 1.007 420 R CB -0.927 29.398 30.300 0.041 0.000 0.861 420 R HN 0.358 nan 8.270 nan 0.000 0.471 421 A N 0.587 123.421 122.820 0.024 0.000 2.072 421 A HA 0.054 4.374 4.320 0.000 0.000 0.216 421 A C 2.148 179.743 177.584 0.018 0.000 1.156 421 A CA 0.182 52.231 52.037 0.019 0.000 0.701 421 A CB -0.210 18.800 19.000 0.016 0.000 0.816 421 A HN 0.146 nan 8.150 nan 0.000 0.458 422 I N 0.736 121.318 120.570 0.021 0.000 2.118 422 I HA -0.340 3.830 4.170 0.000 0.000 0.241 422 I C 2.749 178.877 176.117 0.018 0.000 1.070 422 I CA 1.751 63.063 61.300 0.019 0.000 1.327 422 I CB -0.557 37.456 38.000 0.022 0.000 1.034 422 I HN 0.357 nan 8.210 nan 0.000 0.405 423 S N 1.431 117.142 115.700 0.020 0.000 2.381 423 S HA -0.321 4.149 4.470 0.000 0.000 0.230 423 S C 2.250 176.859 174.600 0.014 0.000 1.052 423 S CA 1.532 59.742 58.200 0.017 0.000 1.068 423 S CB -0.900 62.311 63.200 0.019 0.000 0.918 423 S HN 0.578 nan 8.310 nan 0.000 0.448 424 A N 1.338 124.167 122.820 0.014 0.000 1.933 424 A HA -0.019 4.301 4.320 0.000 0.000 0.218 424 A C 2.412 180.002 177.584 0.011 0.000 1.175 424 A CA 1.752 53.796 52.037 0.012 0.000 0.628 424 A CB -0.971 18.037 19.000 0.012 0.000 0.814 424 A HN 0.418 nan 8.150 nan 0.000 0.444 425 V N 0.081 120.002 119.914 0.011 0.000 2.379 425 V HA -0.187 3.933 4.120 0.000 0.000 0.245 425 V C 2.415 178.515 176.094 0.009 0.000 1.044 425 V CA 1.795 64.101 62.300 0.010 0.000 1.036 425 V CB -0.842 30.987 31.823 0.010 0.000 0.664 425 V HN 0.500 nan 8.190 nan 0.000 0.453 426 E N 0.289 120.495 120.200 0.010 0.000 2.049 426 E HA -0.236 4.114 4.350 0.000 0.000 0.198 426 E C 2.296 178.901 176.600 0.008 0.000 1.007 426 E CA 1.396 57.801 56.400 0.009 0.000 0.809 426 E CB -0.337 29.369 29.700 0.010 0.000 0.749 426 E HN 0.587 nan 8.360 nan 0.000 0.450 427 E N 0.744 120.948 120.200 0.008 0.000 2.097 427 E HA -0.204 4.146 4.350 0.000 0.000 0.196 427 E C 2.246 178.850 176.600 0.006 0.000 1.000 427 E CA 0.652 57.056 56.400 0.007 0.000 0.804 427 E CB -0.408 29.297 29.700 0.007 0.000 0.740 427 E HN 0.155 nan 8.360 nan 0.000 0.454 428 L N 0.985 122.212 121.223 0.007 0.000 2.017 428 L HA -0.122 4.218 4.340 0.000 0.000 0.208 428 L C 2.267 179.140 176.870 0.006 0.000 1.073 428 L CA 1.407 56.250 54.840 0.006 0.000 0.745 428 L CB -0.549 41.514 42.059 0.006 0.000 0.894 428 L HN 0.039 nan 8.230 nan 0.000 0.432 429 I N -0.180 120.394 120.570 0.006 0.000 2.151 429 I HA -0.379 3.791 4.170 0.000 0.000 0.243 429 I C 2.345 178.466 176.117 0.005 0.000 1.080 429 I CA 1.730 63.033 61.300 0.006 0.000 1.339 429 I CB -0.551 37.453 38.000 0.006 0.000 1.039 429 I HN 0.287 nan 8.210 nan 0.000 0.409 430 K N 0.903 121.306 120.400 0.005 0.000 2.360 430 K HA -0.175 4.145 4.320 0.000 0.000 0.201 430 K C 1.495 178.097 176.600 0.004 0.000 1.046 430 K CA 1.159 57.449 56.287 0.005 0.000 0.940 430 K CB -0.118 32.385 32.500 0.005 0.000 0.748 430 K HN 0.419 nan 8.250 nan 0.000 0.465 431 K N 0.038 120.440 120.400 0.004 0.000 2.358 431 K HA 0.205 4.525 4.320 0.000 0.000 0.200 431 K C 0.087 176.690 176.600 0.004 0.000 1.030 431 K CA -0.042 56.248 56.287 0.004 0.000 1.097 431 K CB 0.536 33.038 32.500 0.004 0.000 0.862 431 K HN -0.011 nan 8.250 nan 0.000 0.534 432 L N 0.737 121.962 121.223 0.004 0.000 2.322 432 L HA 0.445 4.786 4.340 0.000 0.000 0.269 432 L C -0.406 176.466 176.870 0.004 0.000 1.012 432 L CA -0.747 54.096 54.840 0.004 0.000 0.815 432 L CB 1.897 43.958 42.059 0.004 0.000 1.295 432 L HN 0.045 nan 8.230 nan 0.000 0.438 433 E N 0.082 120.284 120.200 0.004 0.000 2.433 433 E HA 0.582 4.932 4.350 0.000 0.000 0.278 433 E C -0.337 176.265 176.600 0.004 0.000 0.976 433 E CA 0.030 56.432 56.400 0.004 0.000 0.793 433 E CB 2.262 31.963 29.700 0.003 0.000 1.311 433 E HN 0.738 nan 8.360 nan 0.000 0.460 434 G N 2.186 110.989 108.800 0.004 0.000 2.598 434 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 434 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 434 G C 0.314 175.216 174.900 0.004 0.000 1.302 434 G CA 0.214 45.316 45.100 0.004 0.000 0.903 434 G HN 0.681 nan 8.290 nan 0.000 0.575 435 D N 0.111 120.514 120.400 0.004 0.000 2.178 435 D HA -0.047 4.593 4.640 0.000 0.000 0.201 435 D C 2.073 178.376 176.300 0.005 0.000 0.980 435 D CA 1.455 55.458 54.000 0.005 0.000 0.842 435 D CB -0.125 40.678 40.800 0.005 0.000 0.948 435 D HN 0.630 nan 8.370 nan 0.000 0.472 436 E N 0.671 120.874 120.200 0.005 0.000 2.058 436 E HA -0.183 4.167 4.350 0.000 0.000 0.194 436 E C 2.021 178.624 176.600 0.005 0.000 0.997 436 E CA 1.208 57.611 56.400 0.005 0.000 0.801 436 E CB 0.029 29.732 29.700 0.004 0.000 0.746 436 E HN 0.176 nan 8.360 nan 0.000 0.450 437 A N -0.024 122.799 122.820 0.005 0.000 1.972 437 A HA -0.171 4.150 4.320 0.000 0.000 0.219 437 A C 2.339 179.926 177.584 0.005 0.000 1.169 437 A CA 1.924 53.964 52.037 0.005 0.000 0.635 437 A CB -0.850 18.153 19.000 0.005 0.000 0.810 437 A HN 0.321 nan 8.150 nan 0.000 0.446 438 T N -0.106 114.451 114.554 0.005 0.000 2.684 438 T HA -0.073 4.277 4.350 0.000 0.000 0.267 438 T C 2.016 176.719 174.700 0.006 0.000 1.036 438 T CA 1.546 63.649 62.100 0.006 0.000 1.148 438 T CB -0.769 68.103 68.868 0.006 0.000 0.863 438 T HN 0.595 nan 8.240 nan 0.000 0.436 439 G N 1.423 110.227 108.800 0.006 0.000 2.491 439 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 439 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 439 G C 1.874 176.778 174.900 0.006 0.000 1.180 439 G CA 1.152 46.256 45.100 0.006 0.000 0.774 439 G HN 0.599 nan 8.290 nan 0.000 0.562 440 A N 0.735 123.559 122.820 0.006 0.000 1.917 440 A HA -0.120 4.200 4.320 0.000 0.000 0.219 440 A C 2.322 179.911 177.584 0.007 0.000 1.182 440 A CA 2.209 54.250 52.037 0.006 0.000 0.633 440 A CB -0.413 18.591 19.000 0.006 0.000 0.819 440 A HN 0.439 nan 8.150 nan 0.000 0.448 441 K N -0.592 119.812 120.400 0.007 0.000 2.097 441 K HA -0.026 4.295 4.320 0.000 0.000 0.205 441 K C 1.817 178.421 176.600 0.008 0.000 1.050 441 K CA 1.353 57.644 56.287 0.007 0.000 0.938 441 K CB -0.346 32.158 32.500 0.007 0.000 0.718 441 K HN 0.561 nan 8.250 nan 0.000 0.442 442 I N 0.693 121.267 120.570 0.007 0.000 2.127 442 I HA -0.295 3.875 4.170 0.000 0.000 0.241 442 I C 2.260 178.381 176.117 0.008 0.000 1.075 442 I CA 1.191 62.495 61.300 0.007 0.000 1.334 442 I CB -0.393 37.611 38.000 0.007 0.000 1.040 442 I HN -0.066 nan 8.210 nan 0.000 0.405 443 V N 0.985 120.904 119.914 0.008 0.000 2.332 443 V HA -0.322 3.798 4.120 0.000 0.000 0.248 443 V C 2.662 178.762 176.094 0.009 0.000 1.055 443 V CA 2.151 64.455 62.300 0.008 0.000 1.038 443 V CB -0.851 30.977 31.823 0.008 0.000 0.651 443 V HN 0.447 nan 8.190 nan 0.000 0.450 444 R N 0.120 120.626 120.500 0.009 0.000 2.105 444 R HA -0.253 4.087 4.340 0.000 0.000 0.239 444 R C 2.433 178.740 176.300 0.011 0.000 1.135 444 R CA 2.068 58.174 56.100 0.011 0.000 0.967 444 R CB -0.233 30.073 30.300 0.011 0.000 0.861 444 R HN 0.382 nan 8.270 nan 0.000 0.442 445 R N 0.761 121.268 120.500 0.010 0.000 2.062 445 R HA 0.036 4.376 4.340 0.000 0.000 0.229 445 R C 1.996 178.302 176.300 0.010 0.000 1.128 445 R CA 1.918 58.025 56.100 0.010 0.000 0.960 445 R CB -0.982 29.324 30.300 0.009 0.000 0.855 445 R HN 0.297 nan 8.270 nan 0.000 0.432 446 A N 1.219 124.044 122.820 0.009 0.000 1.884 446 A HA -0.176 4.144 4.320 0.000 0.000 0.219 446 A C 2.294 179.884 177.584 0.010 0.000 1.197 446 A CA 1.957 53.999 52.037 0.009 0.000 0.637 446 A CB -1.008 17.997 19.000 0.008 0.000 0.827 446 A HN 0.398 nan 8.150 nan 0.000 0.450 447 L N -0.705 120.525 121.223 0.011 0.000 2.283 447 L HA -0.282 4.058 4.340 0.000 0.000 0.217 447 L C 2.373 179.252 176.870 0.014 0.000 1.104 447 L CA 1.730 56.577 54.840 0.012 0.000 0.772 447 L CB -0.628 41.439 42.059 0.014 0.000 0.899 447 L HN 0.534 nan 8.230 nan 0.000 0.439 448 E N -0.845 119.364 120.200 0.014 0.000 2.230 448 E HA -0.126 4.224 4.350 0.000 0.000 0.192 448 E C 1.994 178.602 176.600 0.013 0.000 0.987 448 E CA 0.115 56.524 56.400 0.015 0.000 0.841 448 E CB 0.137 29.846 29.700 0.016 0.000 0.783 448 E HN 0.391 nan 8.360 nan 0.000 0.481 449 E N 0.579 120.786 120.200 0.011 0.000 2.033 449 E HA -0.163 4.187 4.350 0.000 0.000 0.199 449 E C -0.680 175.926 176.600 0.009 0.000 1.011 449 E CA 1.359 57.765 56.400 0.010 0.000 0.815 449 E CB -1.645 28.061 29.700 0.009 0.000 0.755 449 E HN 0.226 nan 8.360 nan 0.000 0.451 450 P HA -0.209 nan 4.420 nan 0.000 0.213 450 P C 1.397 178.700 177.300 0.006 0.000 1.176 450 P CA 2.546 65.649 63.100 0.006 0.000 0.919 450 P CB -0.254 31.448 31.700 0.004 0.000 0.791 451 A N -0.574 122.250 122.820 0.007 0.000 1.892 451 A HA -0.291 4.029 4.320 0.000 0.000 0.218 451 A C 2.411 180.002 177.584 0.011 0.000 1.188 451 A CA 2.161 54.203 52.037 0.009 0.000 0.631 451 A CB -1.349 17.659 19.000 0.013 0.000 0.822 451 A HN 0.018 nan 8.150 nan 0.000 0.447 452 R N -1.215 119.291 120.500 0.010 0.000 2.080 452 R HA -0.231 4.109 4.340 0.000 0.000 0.236 452 R C 2.528 178.838 176.300 0.017 0.000 1.137 452 R CA 2.035 58.141 56.100 0.010 0.000 0.943 452 R CB -0.332 29.974 30.300 0.011 0.000 0.846 452 R HN 0.580 nan 8.270 nan 0.000 0.431 453 Q N 0.754 120.564 119.800 0.017 0.000 2.112 453 Q HA -0.159 4.181 4.340 0.000 0.000 0.206 453 Q C 1.885 177.900 176.000 0.025 0.000 0.987 453 Q CA 1.935 57.750 55.803 0.020 0.000 0.858 453 Q CB -0.255 28.491 28.738 0.014 0.000 0.905 453 Q HN 0.465 nan 8.270 nan 0.000 0.420 454 I N -0.154 120.427 120.570 0.019 0.000 2.099 454 I HA -0.325 3.845 4.170 0.000 0.000 0.239 454 I C 2.263 178.405 176.117 0.041 0.000 1.066 454 I CA 1.138 62.448 61.300 0.017 0.000 1.324 454 I CB -0.736 37.263 38.000 -0.002 0.000 1.037 454 I HN 0.309 nan 8.210 nan 0.000 0.401 455 A N 0.347 123.200 122.820 0.055 0.000 1.892 455 A HA -0.305 4.015 4.320 0.000 0.000 0.218 455 A C 2.195 179.866 177.584 0.145 0.000 1.188 455 A CA 2.301 54.391 52.037 0.088 0.000 0.631 455 A CB -0.714 18.280 19.000 -0.009 0.000 0.822 455 A HN 0.441 nan 8.150 nan 0.000 0.447 456 E N 0.334 120.591 120.200 0.094 0.000 2.038 456 E HA -0.192 4.158 4.350 0.000 0.000 0.195 456 E C 1.902 178.563 176.600 0.103 0.000 1.000 456 E CA 1.696 58.152 56.400 0.094 0.000 0.803 456 E CB -0.196 29.535 29.700 0.052 0.000 0.750 456 E HN 0.599 nan 8.360 nan 0.000 0.448 457 N N -0.007 118.739 118.700 0.076 0.000 2.205 457 N HA -0.170 4.570 4.740 0.000 0.000 0.186 457 N C 1.397 176.966 175.510 0.097 0.000 1.015 457 N CA 1.306 54.396 53.050 0.066 0.000 0.862 457 N CB -0.371 38.140 38.487 0.040 0.000 0.986 457 N HN 0.245 nan 8.380 nan 0.000 0.429 458 A N 0.023 122.930 122.820 0.146 0.000 2.209 458 A HA 0.313 4.633 4.320 0.000 0.000 0.212 458 A C 1.302 179.113 177.584 0.378 0.000 1.158 458 A CA 0.938 53.110 52.037 0.225 0.000 0.742 458 A CB -0.363 18.737 19.000 0.167 0.000 0.790 458 A HN 0.345 nan 8.150 nan 0.000 0.472 459 G N -2.167 106.808 108.800 0.292 0.000 2.270 459 G HA2 -0.181 3.779 3.960 0.000 0.000 0.224 459 G HA3 -0.181 3.779 3.960 0.000 0.000 0.224 459 G C -0.423 174.485 174.900 0.013 0.000 1.079 459 G CA 0.131 45.309 45.100 0.130 0.000 0.807 459 G HN 0.426 nan 8.290 nan 0.000 0.492 460 Y N -0.866 119.452 120.300 0.029 0.000 2.609 460 Y HA 0.548 5.098 4.550 0.000 0.000 0.342 460 Y C 0.522 176.402 175.900 -0.033 0.000 1.058 460 Y CA -1.542 56.557 58.100 -0.002 0.000 1.055 460 Y CB 1.128 39.575 38.460 -0.022 0.000 1.292 460 Y HN 0.161 nan 8.280 nan 0.000 0.476 461 E N 1.129 121.385 120.200 0.093 0.000 2.029 461 E HA 0.125 4.475 4.350 0.000 0.000 0.276 461 E C 0.808 177.418 176.600 0.016 0.000 1.163 461 E CA 0.179 56.602 56.400 0.037 0.000 0.909 461 E CB 0.670 30.380 29.700 0.016 0.000 1.046 461 E HN 0.963 nan 8.360 nan 0.000 0.406 462 G N 3.203 112.016 108.800 0.022 0.000 2.672 462 G HA2 -0.429 3.531 3.960 0.000 0.000 0.218 462 G HA3 -0.429 3.531 3.960 0.000 0.000 0.218 462 G C 1.647 176.541 174.900 -0.009 0.000 1.238 462 G CA 1.308 46.410 45.100 0.002 0.000 0.791 462 G HN 0.589 nan 8.290 nan 0.000 0.606 463 S N 0.178 115.880 115.700 0.003 0.000 2.392 463 S HA -0.183 4.287 4.470 0.000 0.000 0.232 463 S C 2.269 176.873 174.600 0.006 0.000 1.041 463 S CA 1.826 60.030 58.200 0.006 0.000 1.026 463 S CB -0.720 62.485 63.200 0.008 0.000 0.845 463 S HN 0.181 nan 8.310 nan 0.000 0.465 464 V N 2.220 122.134 119.914 0.001 0.000 2.237 464 V HA -0.126 3.994 4.120 0.000 0.000 0.245 464 V C 2.500 178.602 176.094 0.013 0.000 1.046 464 V CA 1.992 64.296 62.300 0.006 0.000 1.007 464 V CB -0.735 31.091 31.823 0.006 0.000 0.638 464 V HN 0.479 nan 8.190 nan 0.000 0.445 465 I N -0.094 120.454 120.570 -0.036 0.000 2.163 465 I HA -0.230 3.940 4.170 0.000 0.000 0.243 465 I C 2.349 178.493 176.117 0.044 0.000 1.085 465 I CA 1.363 62.628 61.300 -0.059 0.000 1.347 465 I CB -0.412 37.317 38.000 -0.452 0.000 1.044 465 I HN 0.154 nan 8.210 nan 0.000 0.408 466 V N 0.259 120.180 119.914 0.012 0.000 2.568 466 V HA -0.307 3.813 4.120 0.000 0.000 0.253 466 V C 2.350 178.486 176.094 0.069 0.000 1.072 466 V CA 1.767 64.092 62.300 0.042 0.000 1.084 466 V CB -0.706 31.131 31.823 0.024 0.000 0.676 466 V HN 0.436 nan 8.190 nan 0.000 0.469 467 Q N 0.312 120.147 119.800 0.059 0.000 2.008 467 Q HA -0.134 4.206 4.340 0.000 0.000 0.196 467 Q C 2.300 178.345 176.000 0.074 0.000 0.973 467 Q CA 1.642 57.477 55.803 0.053 0.000 0.826 467 Q CB -0.433 28.322 28.738 0.030 0.000 0.894 467 Q HN 0.687 nan 8.270 nan 0.000 0.439 468 Q N -0.338 119.510 119.800 0.080 0.000 2.308 468 Q HA -0.162 4.178 4.340 0.000 0.000 0.209 468 Q C 1.975 178.093 176.000 0.196 0.000 0.985 468 Q CA 1.238 57.071 55.803 0.051 0.000 0.881 468 Q CB -0.133 28.555 28.738 -0.084 0.000 0.917 468 Q HN 0.442 nan 8.270 nan 0.000 0.443 469 I N 0.086 120.833 120.570 0.295 0.000 2.235 469 I HA -0.218 3.952 4.170 0.000 0.000 0.241 469 I C 1.926 178.197 176.117 0.256 0.000 1.085 469 I CA 0.798 62.315 61.300 0.361 0.000 1.378 469 I CB -0.067 38.081 38.000 0.248 0.000 1.076 469 I HN 0.162 nan 8.210 nan 0.000 0.415 470 L N 0.662 121.977 121.223 0.154 0.000 2.456 470 L HA -0.119 4.221 4.340 0.000 0.000 0.224 470 L C 2.622 179.538 176.870 0.077 0.000 1.148 470 L CA 0.571 55.472 54.840 0.102 0.000 0.825 470 L CB -0.575 41.526 42.059 0.069 0.000 0.937 470 L HN 0.232 nan 8.230 nan 0.000 0.450 471 A N -0.264 122.602 122.820 0.077 0.000 1.854 471 A HA -0.143 4.177 4.320 0.000 0.000 0.214 471 A C 1.245 178.828 177.584 -0.003 0.000 1.192 471 A CA 0.488 52.540 52.037 0.024 0.000 0.611 471 A CB -0.246 18.755 19.000 0.002 0.000 0.832 471 A HN 0.286 nan 8.150 nan 0.000 0.442 472 E N 0.348 120.546 120.200 -0.003 0.000 2.328 472 E HA 0.230 4.580 4.350 0.000 0.000 0.265 472 E C 0.364 176.953 176.600 -0.017 0.000 1.057 472 E CA 0.669 57.005 56.400 -0.107 0.000 0.916 472 E CB 0.497 29.988 29.700 -0.349 0.000 0.993 472 E HN 0.279 nan 8.360 nan 0.000 0.446 473 T N 4.130 118.662 114.554 -0.036 0.000 2.990 473 T HA 0.094 4.444 4.350 0.000 0.000 0.250 473 T C 1.193 175.887 174.700 -0.010 0.000 1.041 473 T CA -0.136 61.960 62.100 -0.006 0.000 1.010 473 T CB 0.173 69.036 68.868 -0.008 0.000 1.003 473 T HN 0.287 nan 8.240 nan 0.000 0.499 474 K N 1.862 122.239 120.400 -0.038 0.000 1.965 474 K HA -0.040 4.280 4.320 0.000 0.000 0.220 474 K C 0.946 177.544 176.600 -0.003 0.000 1.046 474 K CA 1.096 57.364 56.287 -0.030 0.000 0.974 474 K CB -0.167 32.297 32.500 -0.058 0.000 0.738 474 K HN 0.100 nan 8.250 nan 0.000 0.444 475 N N 1.123 119.826 118.700 0.004 0.000 2.437 475 N HA 0.067 4.807 4.740 0.000 0.000 0.243 475 N C -2.067 173.505 175.510 0.104 0.000 1.041 475 N CA -1.962 51.120 53.050 0.053 0.000 0.940 475 N CB 1.327 39.857 38.487 0.071 0.000 1.133 475 N HN -0.031 nan 8.380 nan 0.000 0.506 476 P HA -0.120 nan 4.420 nan 0.000 0.225 476 P C 0.312 177.679 177.300 0.112 0.000 1.148 476 P CA 0.929 64.085 63.100 0.094 0.000 0.779 476 P CB 0.344 32.079 31.700 0.060 0.000 0.780 477 R N -1.806 118.761 120.500 0.113 0.000 2.313 477 R HA 0.029 4.370 4.340 0.000 0.000 0.199 477 R C 0.643 177.028 176.300 0.142 0.000 0.958 477 R CA -0.265 55.893 56.100 0.097 0.000 1.047 477 R CB -0.564 29.779 30.300 0.073 0.000 0.955 477 R HN 0.217 nan 8.270 nan 0.000 0.481 478 Y N 0.923 121.260 120.300 0.061 0.000 2.442 478 Y HA 0.312 4.862 4.550 0.000 0.000 0.330 478 Y C 0.559 176.535 175.900 0.127 0.000 1.129 478 Y CA 0.364 58.523 58.100 0.098 0.000 1.365 478 Y CB 0.722 39.244 38.460 0.103 0.000 1.233 478 Y HN 0.068 nan 8.280 nan 0.000 0.529 479 G N 4.573 113.125 108.800 -0.413 0.000 2.619 479 G HA2 0.335 4.295 3.960 0.000 0.000 0.305 479 G HA3 0.335 4.295 3.960 0.000 0.000 0.305 479 G C -2.287 172.376 174.900 -0.396 0.000 1.330 479 G CA -1.005 43.924 45.100 -0.284 0.000 0.789 479 G HN 0.601 nan 8.290 nan 0.000 0.487 480 F N 1.173 120.789 119.950 -0.557 0.000 2.444 480 F HA 0.586 5.113 4.527 0.000 0.000 0.342 480 F C -0.088 175.402 175.800 -0.517 0.000 1.121 480 F CA -1.036 56.454 58.000 -0.851 0.000 0.997 480 F CB 1.848 40.238 39.000 -1.018 0.000 1.130 480 F HN 0.370 nan 8.300 nan 0.000 0.454 481 N N 5.055 123.093 118.700 -1.103 0.000 2.645 481 N HA 0.259 4.999 4.740 0.000 0.000 0.233 481 N C 0.602 175.393 175.510 -1.197 0.000 1.058 481 N CA 0.218 52.771 53.050 -0.829 0.000 0.942 481 N CB 1.248 39.434 38.487 -0.503 0.000 1.210 481 N HN 0.736 nan 8.380 nan 0.000 0.512 482 A N 3.089 125.287 122.820 -1.037 0.000 2.139 482 A HA -0.107 4.213 4.320 0.000 0.000 0.221 482 A C 2.047 179.337 177.584 -0.491 0.000 1.159 482 A CA 1.771 53.316 52.037 -0.820 0.000 0.662 482 A CB -0.664 18.137 19.000 -0.333 0.000 0.796 482 A HN 0.714 nan 8.150 nan 0.000 0.463 483 A N -0.446 122.139 122.820 -0.391 0.000 1.854 483 A HA -0.035 4.285 4.320 0.000 0.000 0.214 483 A C 2.380 179.856 177.584 -0.180 0.000 1.192 483 A CA 2.250 54.157 52.037 -0.217 0.000 0.611 483 A CB -1.057 17.838 19.000 -0.176 0.000 0.832 483 A HN 0.799 nan 8.150 nan 0.000 0.442 484 T N -4.372 110.039 114.554 -0.238 0.000 3.065 484 T HA 0.400 4.750 4.350 0.000 0.000 0.252 484 T C 1.243 175.866 174.700 -0.128 0.000 1.099 484 T CA 1.078 63.092 62.100 -0.144 0.000 1.063 484 T CB -0.012 68.780 68.868 -0.126 0.000 0.948 484 T HN 1.811 nan 8.240 nan 0.000 0.506 485 G N 1.263 109.855 108.800 -0.347 0.000 2.256 485 G HA2 -0.170 3.790 3.960 0.000 0.000 0.272 485 G HA3 -0.170 3.790 3.960 0.000 0.000 0.272 485 G C -0.439 174.457 174.900 -0.007 0.000 1.076 485 G CA 0.062 45.034 45.100 -0.214 0.000 0.882 485 G HN 0.688 nan 8.290 nan 0.000 0.497 486 E N -1.437 118.591 120.200 -0.286 0.000 2.383 486 E HA 0.592 4.942 4.350 0.000 0.000 0.275 486 E C -0.861 175.671 176.600 -0.114 0.000 0.918 486 E CA -1.044 55.366 56.400 0.017 0.000 0.764 486 E CB 1.383 31.104 29.700 0.035 0.000 1.252 486 E HN 0.051 nan 8.360 nan 0.000 0.449 487 F N 1.394 121.383 119.950 0.065 0.000 2.396 487 F HA 0.402 4.929 4.527 -0.000 0.000 0.343 487 F C 0.604 176.353 175.800 -0.085 0.000 1.104 487 F CA -0.307 57.644 58.000 -0.081 0.000 1.161 487 F CB 1.137 40.094 39.000 -0.070 0.000 1.146 487 F HN 0.227 nan 8.300 nan 0.000 0.522 488 V N -1.240 118.640 119.914 -0.057 0.000 3.121 488 V HA 0.468 4.588 4.120 0.000 0.000 0.308 488 V C -1.400 174.711 176.094 0.028 0.000 1.492 488 V CA -1.107 61.215 62.300 0.036 0.000 1.034 488 V CB 1.699 33.511 31.823 -0.019 0.000 1.066 488 V HN 0.546 nan 8.190 nan 0.000 0.472 489 D N 1.300 121.741 120.400 0.068 0.000 2.393 489 D HA 0.248 4.889 4.640 0.000 0.000 0.232 489 D C 1.301 177.606 176.300 0.008 0.000 1.192 489 D CA -0.387 53.655 54.000 0.070 0.000 0.882 489 D CB 1.286 42.132 40.800 0.077 0.000 1.038 489 D HN 0.541 nan 8.370 nan 0.000 0.499 490 M N 2.818 122.407 119.600 -0.019 0.000 2.116 490 M HA -0.213 4.267 4.480 0.000 0.000 0.255 490 M C 1.912 178.196 176.300 -0.026 0.000 1.075 490 M CA 1.196 56.469 55.300 -0.045 0.000 1.087 490 M CB -0.882 31.692 32.600 -0.043 0.000 1.340 490 M HN 0.306 nan 8.290 nan 0.000 0.402 491 V N 0.202 120.113 119.914 -0.004 0.000 2.216 491 V HA -0.243 3.877 4.120 0.000 0.000 0.243 491 V C 2.095 178.187 176.094 -0.002 0.000 1.044 491 V CA 1.888 64.188 62.300 -0.001 0.000 0.995 491 V CB -0.822 31.008 31.823 0.010 0.000 0.633 491 V HN 0.472 nan 8.190 nan 0.000 0.446 492 E N 0.100 120.304 120.200 0.007 0.000 2.455 492 E HA -0.145 4.206 4.350 0.000 0.000 0.202 492 E C 1.769 178.367 176.600 -0.004 0.000 1.045 492 E CA 0.894 57.298 56.400 0.006 0.000 0.872 492 E CB -0.198 29.513 29.700 0.018 0.000 0.792 492 E HN 0.603 nan 8.360 nan 0.000 0.542 493 A N -0.005 122.805 122.820 -0.016 0.000 2.348 493 A HA 0.345 4.665 4.320 0.000 0.000 0.224 493 A C 1.525 179.086 177.584 -0.038 0.000 1.227 493 A CA 0.497 52.514 52.037 -0.033 0.000 0.885 493 A CB 0.135 19.101 19.000 -0.057 0.000 0.933 493 A HN 0.248 nan 8.150 nan 0.000 0.506 494 G N -0.169 108.614 108.800 -0.028 0.000 2.198 494 G HA2 -0.211 3.749 3.960 0.000 0.000 0.257 494 G HA3 -0.211 3.749 3.960 0.000 0.000 0.257 494 G C 0.011 174.890 174.900 -0.036 0.000 1.042 494 G CA 0.410 45.494 45.100 -0.027 0.000 0.791 494 G HN 0.578 nan 8.290 nan 0.000 0.502 495 I N 0.604 121.148 120.570 -0.044 0.000 2.778 495 I HA 0.340 4.510 4.170 0.000 0.000 0.285 495 I C 0.328 176.420 176.117 -0.042 0.000 1.236 495 I CA -0.740 60.527 61.300 -0.055 0.000 1.089 495 I CB 0.843 38.792 38.000 -0.085 0.000 1.601 495 I HN -0.042 nan 8.210 nan 0.000 0.573 496 V N 1.978 121.875 119.914 -0.030 0.000 3.177 496 V HA 0.589 4.709 4.120 0.000 0.000 0.319 496 V C -0.544 175.538 176.094 -0.020 0.000 1.125 496 V CA -0.702 61.585 62.300 -0.021 0.000 1.029 496 V CB 2.603 34.417 31.823 -0.014 0.000 1.119 496 V HN 0.341 nan 8.190 nan 0.000 0.452 497 D N 0.281 120.672 120.400 -0.015 0.000 2.934 497 D HA 0.390 5.030 4.640 0.000 0.000 0.230 497 D C -2.990 173.304 176.300 -0.009 0.000 1.204 497 D CA -1.345 52.647 54.000 -0.013 0.000 0.873 497 D CB 2.587 43.379 40.800 -0.013 0.000 1.645 497 D HN 0.223 nan 8.370 nan 0.000 0.502 498 P HA 0.083 nan 4.420 nan 0.000 0.265 498 P C 0.486 177.783 177.300 -0.005 0.000 1.222 498 P CA 0.022 63.117 63.100 -0.008 0.000 0.767 498 P CB 0.619 32.312 31.700 -0.010 0.000 0.801 499 A N 5.093 127.911 122.820 -0.003 0.000 2.032 499 A HA -0.266 4.054 4.320 0.000 0.000 0.221 499 A C 2.090 179.673 177.584 -0.001 0.000 1.165 499 A CA 1.645 53.682 52.037 -0.001 0.000 0.645 499 A CB -0.917 18.084 19.000 0.001 0.000 0.807 499 A HN 0.509 nan 8.150 nan 0.000 0.453 500 K N -0.289 120.110 120.400 -0.002 0.000 2.057 500 K HA -0.079 4.241 4.320 0.000 0.000 0.206 500 K C 1.808 178.406 176.600 -0.003 0.000 1.050 500 K CA 1.479 57.765 56.287 -0.002 0.000 0.935 500 K CB -0.261 32.237 32.500 -0.004 0.000 0.715 500 K HN 0.272 nan 8.250 nan 0.000 0.439 501 V N 1.066 120.977 119.914 -0.005 0.000 2.255 501 V HA -0.283 3.837 4.120 0.000 0.000 0.247 501 V C 2.243 178.335 176.094 -0.003 0.000 1.051 501 V CA 2.398 64.694 62.300 -0.005 0.000 1.018 501 V CB -0.850 30.968 31.823 -0.007 0.000 0.641 501 V HN 0.459 nan 8.190 nan 0.000 0.445 502 T N -0.119 114.434 114.554 -0.002 0.000 2.622 502 T HA -0.285 4.065 4.350 0.000 0.000 0.266 502 T C 2.035 176.736 174.700 0.001 0.000 1.047 502 T CA 2.088 64.187 62.100 -0.001 0.000 1.159 502 T CB -0.390 68.478 68.868 0.000 0.000 0.863 502 T HN 0.426 nan 8.240 nan 0.000 0.422 503 R N 0.728 121.229 120.500 0.002 0.000 2.133 503 R HA -0.149 4.192 4.340 0.000 0.000 0.247 503 R C 2.435 178.736 176.300 0.002 0.000 1.151 503 R CA 1.897 57.998 56.100 0.002 0.000 0.971 503 R CB -0.334 29.967 30.300 0.003 0.000 0.866 503 R HN 0.286 nan 8.270 nan 0.000 0.447 504 S N 0.364 116.064 115.700 0.001 0.000 2.329 504 S HA -0.056 4.414 4.470 0.000 0.000 0.215 504 S C 2.059 176.660 174.600 0.001 0.000 1.031 504 S CA 0.935 59.136 58.200 0.000 0.000 0.985 504 S CB -0.421 62.778 63.200 -0.001 0.000 0.917 504 S HN 0.575 nan 8.310 nan 0.000 0.441 505 A N 1.687 124.507 122.820 0.000 0.000 1.915 505 A HA -0.211 4.109 4.320 0.000 0.000 0.220 505 A C 2.157 179.742 177.584 0.002 0.000 1.198 505 A CA 2.016 54.053 52.037 0.001 0.000 0.647 505 A CB -1.059 17.941 19.000 0.001 0.000 0.825 505 A HN 0.399 nan 8.150 nan 0.000 0.456 506 L N -0.589 120.636 121.223 0.003 0.000 1.955 506 L HA -0.229 4.111 4.340 0.000 0.000 0.213 506 L C 2.623 179.495 176.870 0.003 0.000 1.072 506 L CA 2.655 57.497 54.840 0.004 0.000 0.755 506 L CB -0.891 41.171 42.059 0.004 0.000 0.888 506 L HN 0.541 nan 8.230 nan 0.000 0.432 507 Q N -0.649 119.152 119.800 0.003 0.000 2.152 507 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 507 Q C 2.019 178.020 176.000 0.002 0.000 0.985 507 Q CA 1.824 57.628 55.803 0.003 0.000 0.863 507 Q CB -0.250 28.489 28.738 0.002 0.000 0.904 507 Q HN 0.577 nan 8.270 nan 0.000 0.422 508 N N 0.099 118.801 118.700 0.002 0.000 2.080 508 N HA -0.110 4.630 4.740 0.000 0.000 0.189 508 N C 1.703 177.215 175.510 0.002 0.000 1.036 508 N CA 1.327 54.378 53.050 0.002 0.000 0.846 508 N CB -0.454 38.034 38.487 0.001 0.000 1.015 508 N HN 0.236 nan 8.380 nan 0.000 0.423 509 A N 1.397 124.218 122.820 0.002 0.000 1.873 509 A HA -0.133 4.187 4.320 0.000 0.000 0.218 509 A C 2.360 179.946 177.584 0.003 0.000 1.193 509 A CA 2.535 54.574 52.037 0.003 0.000 0.629 509 A CB -1.152 17.850 19.000 0.003 0.000 0.826 509 A HN 0.351 nan 8.150 nan 0.000 0.447 510 A N -1.203 121.619 122.820 0.003 0.000 2.032 510 A HA -0.118 4.202 4.320 0.000 0.000 0.221 510 A C 2.423 180.008 177.584 0.003 0.000 1.165 510 A CA 2.253 54.292 52.037 0.004 0.000 0.645 510 A CB -0.811 18.191 19.000 0.004 0.000 0.807 510 A HN 0.558 nan 8.150 nan 0.000 0.453 511 S N -0.685 115.016 115.700 0.002 0.000 2.371 511 S HA -0.043 4.427 4.470 0.000 0.000 0.224 511 S C 1.887 176.488 174.600 0.002 0.000 1.029 511 S CA 1.078 59.279 58.200 0.002 0.000 0.978 511 S CB -0.412 62.788 63.200 0.001 0.000 0.833 511 S HN 0.522 nan 8.310 nan 0.000 0.466 512 I N 1.252 121.823 120.570 0.002 0.000 2.179 512 I HA -0.129 4.041 4.170 0.000 0.000 0.242 512 I C 2.655 178.774 176.117 0.002 0.000 1.088 512 I CA 1.208 62.509 61.300 0.002 0.000 1.357 512 I CB -1.090 36.911 38.000 0.002 0.000 1.051 512 I HN 0.435 nan 8.210 nan 0.000 0.409 513 G N 0.782 109.584 108.800 0.003 0.000 2.514 513 G HA2 -0.326 3.634 3.960 0.000 0.000 0.217 513 G HA3 -0.326 3.634 3.960 0.000 0.000 0.217 513 G C 1.852 176.755 174.900 0.004 0.000 1.198 513 G CA 1.063 46.166 45.100 0.004 0.000 0.780 513 G HN 0.506 nan 8.290 nan 0.000 0.565 514 A N 0.181 123.004 122.820 0.004 0.000 1.940 514 A HA 0.005 4.325 4.320 0.000 0.000 0.219 514 A C 2.384 179.970 177.584 0.004 0.000 1.176 514 A CA 1.880 53.919 52.037 0.004 0.000 0.631 514 A CB -0.441 18.561 19.000 0.003 0.000 0.814 514 A HN 0.495 nan 8.150 nan 0.000 0.446 515 L N 0.076 121.300 121.223 0.002 0.000 1.970 515 L HA -0.148 4.192 4.340 0.000 0.000 0.212 515 L C 2.304 179.175 176.870 0.002 0.000 1.071 515 L CA 2.049 56.890 54.840 0.001 0.000 0.751 515 L CB -0.484 41.575 42.059 0.000 0.000 0.889 515 L HN 0.446 nan 8.230 nan 0.000 0.432 516 I N -0.776 119.796 120.570 0.002 0.000 2.208 516 I HA -0.351 3.819 4.170 0.000 0.000 0.245 516 I C 2.402 178.523 176.117 0.006 0.000 1.097 516 I CA 1.531 62.833 61.300 0.003 0.000 1.363 516 I CB -0.423 37.579 38.000 0.003 0.000 1.051 516 I HN 0.314 nan 8.210 nan 0.000 0.413 517 L N -0.076 121.151 121.223 0.007 0.000 2.131 517 L HA -0.176 4.164 4.340 0.000 0.000 0.210 517 L C 2.204 179.081 176.870 0.011 0.000 1.092 517 L CA 1.401 56.246 54.840 0.009 0.000 0.759 517 L CB -1.008 41.056 42.059 0.008 0.000 0.903 517 L HN 0.251 nan 8.230 nan 0.000 0.435 518 T N -1.575 112.984 114.554 0.008 0.000 3.129 518 T HA 0.002 4.352 4.350 0.000 0.000 0.251 518 T C 0.801 175.507 174.700 0.010 0.000 1.117 518 T CA 0.261 62.367 62.100 0.009 0.000 1.034 518 T CB -0.191 68.681 68.868 0.007 0.000 0.968 518 T HN 0.205 nan 8.240 nan 0.000 0.526 519 T N 2.926 117.484 114.554 0.008 0.000 2.761 519 T HA 0.167 4.517 4.350 0.000 0.000 0.296 519 T C 0.736 175.444 174.700 0.014 0.000 0.934 519 T CA -0.303 61.799 62.100 0.003 0.000 1.091 519 T CB 1.028 69.892 68.868 -0.005 0.000 0.896 519 T HN 0.056 nan 8.240 nan 0.000 0.515 520 E N 0.998 121.209 120.200 0.018 0.000 2.511 520 E HA 0.427 4.777 4.350 0.000 0.000 0.209 520 E C 0.298 176.926 176.600 0.046 0.000 0.986 520 E CA -0.011 56.422 56.400 0.055 0.000 0.974 520 E CB 0.922 30.669 29.700 0.077 0.000 1.030 520 E HN 0.755 nan 8.360 nan 0.000 0.490 521 A N 0.203 122.988 122.820 -0.059 0.000 2.583 521 A HA 0.546 4.866 4.320 0.000 0.000 0.292 521 A C -1.388 176.067 177.584 -0.215 0.000 1.045 521 A CA -0.392 51.497 52.037 -0.248 0.000 0.672 521 A CB 1.208 19.980 19.000 -0.380 0.000 1.283 521 A HN 0.124 nan 8.150 nan 0.000 0.419 522 V N -0.886 118.859 119.914 -0.281 0.000 2.733 522 V HA 0.834 4.954 4.120 0.000 0.000 0.306 522 V C -1.242 174.732 176.094 -0.201 0.000 1.084 522 V CA -0.661 61.532 62.300 -0.178 0.000 0.905 522 V CB 1.570 33.328 31.823 -0.109 0.000 1.010 522 V HN 1.232 nan 8.190 nan 0.000 0.424 523 V N 5.132 124.960 119.914 -0.143 0.000 2.293 523 V HA 0.852 4.972 4.120 0.000 0.000 0.275 523 V C 0.801 176.840 176.094 -0.091 0.000 1.021 523 V CA 0.337 62.563 62.300 -0.123 0.000 0.815 523 V CB 0.571 32.334 31.823 -0.099 0.000 1.025 523 V HN 1.369 nan 8.190 nan 0.000 0.448 524 A N 3.997 126.760 122.820 -0.095 0.000 2.269 524 A HA 0.796 5.116 4.320 0.000 0.000 0.327 524 A C 0.026 177.514 177.584 -0.161 0.000 1.112 524 A CA -0.665 51.309 52.037 -0.105 0.000 0.865 524 A CB 0.725 19.679 19.000 -0.077 0.000 1.227 524 A HN 0.624 nan 8.150 nan 0.000 0.498 525 E N 0.669 120.706 120.200 -0.271 0.000 2.283 525 E HA 0.228 4.578 4.350 0.000 0.000 0.278 525 E C -0.637 175.698 176.600 -0.440 0.000 1.027 525 E CA -0.483 55.729 56.400 -0.314 0.000 0.843 525 E CB 1.405 30.921 29.700 -0.308 0.000 1.062 525 E HN 0.447 nan 8.360 nan 0.000 0.401 526 K N 3.348 123.609 120.400 -0.231 0.000 2.270 526 K HA 0.212 4.532 4.320 0.000 0.000 0.276 526 K C -2.222 174.309 176.600 -0.115 0.000 1.023 526 K CA -1.279 54.920 56.287 -0.146 0.000 0.955 526 K CB -0.087 32.374 32.500 -0.065 0.000 0.975 526 K HN 0.163 nan 8.250 nan 0.000 0.471 527 P HA 0.000 nan 4.420 nan 0.000 0.216 527 P CA 0.000 63.171 63.100 0.118 0.000 0.800 527 P CB 0.000 31.763 31.700 0.104 0.000 0.726