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 2cca_1_B DATA FIRST_RESID 26 DATA SEQUENCE MKYPVEGGGN QDWWPNRLNL KVLHQNPAVA DPMGAAFDYA AEVATIDVDA DATA SEQUENCE LTRDIEEVMT TSQPWWPADY GHYGPLFIRM AWHAAGTYRI HDGRGGAGGG DATA SEQUENCE MQRFAPLNSW PDNASLDKAR RLLWPVKKKY GKKLSWADLI VFAGNCALES DATA SEQUENCE MGFKTFGFGF GRVDQWEPDE VYWGKEATWL GDERYSGKRD LENPLAAVQM DATA SEQUENCE GLIYVNPEGP NGNPDPMAAA VDIRETFRRM AMNDVETAAL IVGGHTFGKT DATA SEQUENCE HGAGPADLVG PEPEAAPLEQ MGLGWKSSYG TGTGKDAITS GIEVVWTNTP DATA SEQUENCE TKWDNSFLEI LYGYEWELTK SPAGAWQYTA KDGAGAGTIP DPFGGPGRSP DATA SEQUENCE TMLATDLSLR VDPIYERITR RWLEHPEELA DEFAKAWYKL IHRDMGPVAR DATA SEQUENCE YLGPLVPKQT LLWQDPVPAV SHDLVGEAEI ASLKSQIRAS GLTVSQLVST DATA SEQUENCE AWAAASSFRG SDKRGGANGG RIRLQPQVGW EVNDPDGDLR KVIRTLEEIQ DATA SEQUENCE ESFNSAAPGN IKVSFADLVV LGGCAAIEKA AKAAGHNITV PFTPGRTDAS DATA SEQUENCE QEQTDVESFA VLEPKADGFR NYLGKGNPLP AEYMLLDKAN LLTLSAPEMT DATA SEQUENCE VLVGGLRVLG ANYKRLPLGV FTEASESLTN DFFVNLLDMG ITWEPSPADD DATA SEQUENCE GTYQGKDGSG KVKWTGSRVD LVFGSNSELR ALVEVYGADD AQPKFVQDFV DATA SEQUENCE AAWDKVMNLD RFDVR 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 26 M HA 0.000 nan 4.480 nan 0.000 0.227 26 M C 0.000 176.241 176.300 -0.099 0.000 1.140 26 M CA 0.000 55.194 55.300 -0.176 0.000 0.988 26 M CB 0.000 32.480 32.600 -0.200 0.000 1.302 27 K N 0.068 120.420 120.400 -0.080 0.000 2.281 27 K HA 0.499 4.820 4.320 0.002 0.000 0.242 27 K C -1.384 175.217 176.600 0.002 0.000 0.971 27 K CA -0.701 55.585 56.287 -0.001 0.000 0.834 27 K CB 1.790 34.303 32.500 0.022 0.000 1.181 27 K HN -0.042 nan 8.250 nan 0.000 0.435 28 Y N 1.320 121.618 120.300 -0.003 0.000 2.597 28 Y HA -0.048 4.503 4.550 0.002 0.000 0.336 28 Y C -1.419 174.487 175.900 0.011 0.000 1.216 28 Y CA -1.012 57.094 58.100 0.009 0.000 1.463 28 Y CB 0.260 38.723 38.460 0.006 0.000 1.303 28 Y HN 0.535 nan 8.280 nan 0.000 0.576 29 P HA -0.237 nan 4.420 nan 0.000 0.217 29 P C 1.622 178.984 177.300 0.102 0.000 1.148 29 P CA 1.286 64.451 63.100 0.108 0.000 0.828 29 P CB 0.152 31.910 31.700 0.097 0.000 0.783 30 V N -0.300 119.689 119.914 0.124 0.000 2.913 30 V HA -0.140 3.981 4.120 0.002 0.000 0.260 30 V C 1.692 177.815 176.094 0.049 0.000 1.098 30 V CA 1.697 64.038 62.300 0.067 0.000 1.121 30 V CB -0.815 31.029 31.823 0.036 0.000 0.714 30 V HN 0.111 nan 8.190 nan 0.000 0.487 31 E N -1.217 119.030 120.200 0.078 0.000 2.548 31 E HA 0.301 4.652 4.350 0.002 0.000 0.206 31 E C 1.229 177.856 176.600 0.046 0.000 1.005 31 E CA 0.545 56.977 56.400 0.053 0.000 0.951 31 E CB 0.375 30.115 29.700 0.066 0.000 1.035 31 E HN 0.609 nan 8.360 nan 0.000 0.470 32 G N 0.208 109.038 108.800 0.050 0.000 2.179 32 G HA2 -0.227 3.734 3.960 0.002 0.000 0.220 32 G HA3 -0.227 3.734 3.960 0.002 0.000 0.220 32 G C 0.505 175.424 174.900 0.033 0.000 0.990 32 G CA -0.268 44.855 45.100 0.037 0.000 0.646 32 G HN 0.457 nan 8.290 nan 0.000 0.517 33 G N 0.014 108.837 108.800 0.039 0.000 2.432 33 G HA2 0.673 4.635 3.960 0.002 0.000 0.239 33 G HA3 0.673 4.635 3.960 0.002 0.000 0.239 33 G C 0.543 175.467 174.900 0.040 0.000 1.291 33 G CA 0.771 45.881 45.100 0.017 0.000 0.863 33 G HN 1.530 nan 8.290 nan 0.000 0.560 34 G N 0.009 108.834 108.800 0.041 0.000 2.489 34 G HA2 0.230 4.191 3.960 0.002 0.000 0.305 34 G HA3 0.230 4.191 3.960 0.002 0.000 0.305 34 G C 0.366 175.357 174.900 0.151 0.000 1.311 34 G CA -0.546 44.612 45.100 0.096 0.000 0.813 34 G HN 0.476 nan 8.290 nan 0.000 0.480 35 N N 0.266 119.102 118.700 0.226 0.000 2.396 35 N HA -0.099 4.643 4.740 0.002 0.000 0.180 35 N C 2.246 177.974 175.510 0.364 0.000 1.028 35 N CA 0.995 54.278 53.050 0.389 0.000 0.893 35 N CB 0.133 38.860 38.487 0.400 0.000 0.967 35 N HN 0.551 nan 8.380 nan 0.000 0.440 36 Q N 1.219 121.142 119.800 0.206 0.000 2.291 36 Q HA -0.182 4.159 4.340 0.002 0.000 0.206 36 Q C 0.375 176.405 176.000 0.050 0.000 0.976 36 Q CA 1.359 57.252 55.803 0.150 0.000 0.875 36 Q CB -0.137 28.659 28.738 0.096 0.000 0.927 36 Q HN 0.353 nan 8.270 nan 0.000 0.450 37 D N 0.209 120.583 120.400 -0.044 0.000 2.144 37 D HA -0.109 4.532 4.640 0.002 0.000 0.200 37 D C 1.432 177.479 176.300 -0.420 0.000 0.978 37 D CA 1.029 54.875 54.000 -0.257 0.000 0.833 37 D CB -0.384 40.188 40.800 -0.380 0.000 0.961 37 D HN 0.450 nan 8.370 nan 0.000 0.470 38 W N -0.475 120.622 121.300 -0.339 0.000 2.539 38 W HA 0.069 4.730 4.660 0.002 0.000 0.281 38 W C 0.641 176.603 176.519 -0.928 0.000 1.220 38 W CA -0.097 56.753 57.345 -0.825 0.000 1.332 38 W CB 0.271 28.801 29.460 -1.549 0.000 1.095 38 W HN -0.118 nan 8.180 nan 0.000 0.571 39 W N 0.911 122.342 121.300 0.219 0.000 2.433 39 W HA 0.262 4.923 4.660 0.002 0.000 0.288 39 W C -2.129 174.442 176.519 0.086 0.000 0.986 39 W CA -1.905 55.519 57.345 0.133 0.000 1.680 39 W CB 0.172 29.701 29.460 0.114 0.000 1.615 39 W HN -0.197 nan 8.180 nan 0.000 0.416 40 P HA -0.174 nan 4.420 nan 0.000 0.218 40 P C 0.974 178.349 177.300 0.126 0.000 1.148 40 P CA 1.858 65.018 63.100 0.100 0.000 0.822 40 P CB 0.419 32.144 31.700 0.041 0.000 0.784 41 N N -0.910 117.886 118.700 0.159 0.000 2.251 41 N HA 0.040 4.781 4.740 0.002 0.000 0.217 41 N C 0.420 176.084 175.510 0.257 0.000 1.124 41 N CA -0.071 53.079 53.050 0.167 0.000 0.843 41 N CB -0.114 38.444 38.487 0.119 0.000 1.024 41 N HN 0.333 nan 8.380 nan 0.000 0.501 42 R N 0.303 120.932 120.500 0.216 0.000 2.679 42 R HA 0.105 4.446 4.340 0.002 0.000 0.268 42 R C 0.050 176.401 176.300 0.086 0.000 1.044 42 R CA -0.529 55.655 56.100 0.140 0.000 1.105 42 R CB 0.464 30.843 30.300 0.131 0.000 0.989 42 R HN -0.151 nan 8.270 nan 0.000 0.447 43 L N 2.516 123.673 121.223 -0.109 0.000 2.559 43 L HA -0.044 4.297 4.340 0.002 0.000 0.274 43 L C -0.215 176.606 176.870 -0.082 0.000 1.205 43 L CA 0.835 55.536 54.840 -0.232 0.000 0.907 43 L CB -0.080 41.745 42.059 -0.390 0.000 1.153 43 L HN 0.732 nan 8.230 nan 0.000 0.490 44 N N 4.544 123.224 118.700 -0.034 0.000 2.678 44 N HA 0.158 4.899 4.740 0.002 0.000 0.231 44 N C 0.647 176.127 175.510 -0.051 0.000 1.038 44 N CA -0.169 52.873 53.050 -0.013 0.000 0.932 44 N CB 0.298 38.796 38.487 0.018 0.000 1.176 44 N HN 0.686 nan 8.380 nan 0.000 0.511 45 L N 2.028 123.220 121.223 -0.052 0.000 2.456 45 L HA -0.059 4.283 4.340 0.002 0.000 0.224 45 L C 1.637 178.416 176.870 -0.151 0.000 1.148 45 L CA 0.704 55.512 54.840 -0.054 0.000 0.825 45 L CB -0.151 41.910 42.059 0.003 0.000 0.937 45 L HN 0.493 nan 8.230 nan 0.000 0.450 46 K N 0.143 120.408 120.400 -0.224 0.000 2.362 46 K HA -0.106 4.215 4.320 0.002 0.000 0.200 46 K C 1.961 178.271 176.600 -0.484 0.000 1.046 46 K CA 1.172 57.099 56.287 -0.600 0.000 0.952 46 K CB -0.113 32.239 32.500 -0.246 0.000 0.753 46 K HN 0.348 nan 8.250 nan 0.000 0.466 47 V N -1.311 118.472 119.914 -0.217 0.000 3.078 47 V HA -0.079 4.042 4.120 0.002 0.000 0.265 47 V C 1.332 177.372 176.094 -0.090 0.000 1.122 47 V CA 1.327 63.557 62.300 -0.117 0.000 1.141 47 V CB -0.588 31.205 31.823 -0.049 0.000 0.735 47 V HN 0.201 nan 8.190 nan 0.000 0.498 48 L N 1.769 122.923 121.223 -0.116 0.000 2.628 48 L HA 0.296 4.637 4.340 0.002 0.000 0.229 48 L C 1.271 178.178 176.870 0.062 0.000 1.137 48 L CA 0.294 55.135 54.840 0.001 0.000 0.909 48 L CB -0.420 41.677 42.059 0.063 0.000 1.137 48 L HN 0.683 nan 8.230 nan 0.000 0.470 49 H N -2.357 116.748 119.070 0.058 0.000 2.790 49 H HA 0.314 4.872 4.556 0.002 0.000 0.232 49 H C -0.407 174.953 175.328 0.053 0.000 1.313 49 H CA -0.572 55.510 56.048 0.057 0.000 1.011 49 H CB -0.050 29.744 29.762 0.052 0.000 2.105 49 H HN 0.248 nan 8.280 nan 0.000 0.580 50 Q N 1.693 121.537 119.800 0.074 0.000 2.432 50 Q HA 0.026 4.367 4.340 0.002 0.000 0.264 50 Q C 0.162 176.230 176.000 0.112 0.000 1.035 50 Q CA -0.184 55.662 55.803 0.072 0.000 0.908 50 Q CB 0.522 29.285 28.738 0.040 0.000 1.280 50 Q HN 0.463 nan 8.270 nan 0.000 0.455 51 N N 0.639 119.403 118.700 0.106 0.000 2.667 51 N HA -0.120 4.621 4.740 0.002 0.000 0.263 51 N C -2.483 173.112 175.510 0.142 0.000 1.038 51 N CA 0.301 53.432 53.050 0.135 0.000 0.749 51 N CB -1.274 37.299 38.487 0.143 0.000 0.892 51 N HN 0.467 nan 8.380 nan 0.000 0.546 52 P HA 0.124 nan 4.420 nan 0.000 0.271 52 P C 0.863 178.211 177.300 0.081 0.000 1.218 52 P CA -0.074 63.087 63.100 0.101 0.000 0.780 52 P CB 0.765 32.510 31.700 0.075 0.000 0.901 53 A N 3.129 125.988 122.820 0.065 0.000 1.948 53 A HA -0.166 4.156 4.320 0.002 0.000 0.220 53 A C 2.190 179.779 177.584 0.008 0.000 1.177 53 A CA 1.901 53.968 52.037 0.049 0.000 0.636 53 A CB -1.478 17.548 19.000 0.043 0.000 0.815 53 A HN 0.423 nan 8.150 nan 0.000 0.449 54 V N -0.530 119.383 119.914 -0.001 0.000 2.759 54 V HA -0.112 4.009 4.120 0.002 0.000 0.256 54 V C 2.655 178.720 176.094 -0.047 0.000 1.080 54 V CA 1.809 64.093 62.300 -0.026 0.000 1.101 54 V CB -0.470 31.340 31.823 -0.022 0.000 0.698 54 V HN 0.606 nan 8.190 nan 0.000 0.477 55 A N -1.046 121.758 122.820 -0.025 0.000 2.167 55 A HA -0.018 4.303 4.320 0.002 0.000 0.214 55 A C 1.225 178.719 177.584 -0.149 0.000 1.151 55 A CA 0.591 52.607 52.037 -0.036 0.000 0.735 55 A CB -0.229 18.795 19.000 0.039 0.000 0.802 55 A HN 0.542 nan 8.150 nan 0.000 0.467 56 D N 0.415 120.702 120.400 -0.189 0.000 2.316 56 D HA 0.211 4.853 4.640 0.002 0.000 0.245 56 D C -1.588 174.404 176.300 -0.513 0.000 1.171 56 D CA -1.752 51.966 54.000 -0.470 0.000 0.856 56 D CB 1.389 42.117 40.800 -0.120 0.000 1.090 56 D HN 0.127 nan 8.370 nan 0.000 0.476 57 P HA -0.022 nan 4.420 nan 0.000 0.241 57 P C 1.212 178.268 177.300 -0.407 0.000 1.191 57 P CA 0.205 62.980 63.100 -0.541 0.000 0.771 57 P CB 0.339 31.659 31.700 -0.633 0.000 0.929 58 M N -0.665 118.679 119.600 -0.427 0.000 2.447 58 M HA 0.215 4.696 4.480 0.002 0.000 0.264 58 M C 1.226 177.463 176.300 -0.104 0.000 1.095 58 M CA 0.722 55.820 55.300 -0.337 0.000 1.125 58 M CB -1.529 30.759 32.600 -0.520 0.000 1.389 58 M HN 0.047 nan 8.290 nan 0.000 0.459 59 G N -0.429 108.341 108.800 -0.050 0.000 2.699 59 G HA2 0.025 3.986 3.960 0.002 0.000 0.686 59 G HA3 0.025 3.986 3.960 0.002 0.000 0.686 59 G C 0.583 175.542 174.900 0.097 0.000 1.301 59 G CA -0.097 45.015 45.100 0.021 0.000 0.816 59 G HN 0.419 nan 8.290 nan 0.000 0.595 60 A N 0.166 123.032 122.820 0.076 0.000 1.940 60 A HA 0.296 4.617 4.320 0.002 0.000 0.219 60 A C 2.785 180.435 177.584 0.112 0.000 1.176 60 A CA 3.169 55.258 52.037 0.086 0.000 0.631 60 A CB -0.600 18.433 19.000 0.056 0.000 0.814 60 A HN 2.479 nan 8.150 nan 0.000 0.446 61 A N -1.829 121.062 122.820 0.117 0.000 2.208 61 A HA 0.351 4.672 4.320 0.002 0.000 0.209 61 A C 0.644 178.316 177.584 0.146 0.000 1.161 61 A CA -0.368 51.733 52.037 0.106 0.000 0.782 61 A CB -0.469 18.581 19.000 0.083 0.000 0.816 61 A HN 0.450 nan 8.150 nan 0.000 0.477 62 F N 1.348 121.337 119.950 0.065 0.000 2.578 62 F HA 0.304 4.833 4.527 0.002 0.000 0.376 62 F C -0.050 175.819 175.800 0.115 0.000 1.085 62 F CA -0.358 57.697 58.000 0.093 0.000 1.260 62 F CB 0.518 39.586 39.000 0.112 0.000 1.095 62 F HN 0.113 nan 8.300 nan 0.000 0.573 63 D N 5.631 125.596 120.400 -0.726 0.000 2.375 63 D HA 0.030 4.672 4.640 0.002 0.000 0.259 63 D C 0.374 176.285 176.300 -0.648 0.000 1.235 63 D CA -0.389 53.341 54.000 -0.451 0.000 0.924 63 D CB 0.021 40.679 40.800 -0.236 0.000 1.143 63 D HN 0.561 nan 8.370 nan 0.000 0.529 64 Y N 3.791 123.715 120.300 -0.628 0.000 2.165 64 Y HA -0.177 4.374 4.550 0.002 0.000 0.286 64 Y C 1.983 177.779 175.900 -0.173 0.000 1.155 64 Y CA 2.346 60.237 58.100 -0.348 0.000 1.164 64 Y CB -0.277 38.207 38.460 0.040 0.000 0.978 64 Y HN 0.431 nan 8.280 nan 0.000 0.513 65 A N 0.509 123.202 122.820 -0.213 0.000 1.917 65 A HA -0.221 4.100 4.320 0.002 0.000 0.219 65 A C 2.466 179.889 177.584 -0.268 0.000 1.182 65 A CA 2.428 54.324 52.037 -0.235 0.000 0.633 65 A CB -1.561 17.394 19.000 -0.076 0.000 0.819 65 A HN 0.630 nan 8.150 nan 0.000 0.448 66 A N -0.845 121.835 122.820 -0.234 0.000 1.969 66 A HA -0.078 4.243 4.320 0.002 0.000 0.218 66 A C 1.948 179.408 177.584 -0.207 0.000 1.169 66 A CA 1.540 53.463 52.037 -0.190 0.000 0.635 66 A CB -0.284 18.623 19.000 -0.155 0.000 0.810 66 A HN 0.515 nan 8.150 nan 0.000 0.445 67 E N -0.536 119.500 120.200 -0.273 0.000 2.033 67 E HA -0.077 4.274 4.350 0.002 0.000 0.189 67 E C 2.097 178.549 176.600 -0.247 0.000 0.979 67 E CA 1.167 57.454 56.400 -0.189 0.000 0.802 67 E CB -0.979 28.685 29.700 -0.060 0.000 0.763 67 E HN 0.322 nan 8.360 nan 0.000 0.449 68 V N 1.583 121.210 119.914 -0.478 0.000 2.759 68 V HA -0.133 3.988 4.120 0.002 0.000 0.256 68 V C 2.153 178.017 176.094 -0.383 0.000 1.080 68 V CA 1.532 63.532 62.300 -0.501 0.000 1.101 68 V CB -0.528 30.826 31.823 -0.782 0.000 0.698 68 V HN 0.250 nan 8.190 nan 0.000 0.477 69 A N -0.011 122.632 122.820 -0.295 0.000 2.076 69 A HA -0.195 4.127 4.320 0.002 0.000 0.220 69 A C 2.296 179.780 177.584 -0.167 0.000 1.160 69 A CA 2.295 54.212 52.037 -0.200 0.000 0.653 69 A CB -0.759 18.152 19.000 -0.148 0.000 0.801 69 A HN 0.729 nan 8.150 nan 0.000 0.455 70 T N -1.700 112.759 114.554 -0.159 0.000 3.086 70 T HA 0.348 4.699 4.350 0.002 0.000 0.250 70 T C 0.647 175.286 174.700 -0.102 0.000 1.074 70 T CA 0.098 62.133 62.100 -0.108 0.000 0.988 70 T CB -0.921 67.903 68.868 -0.073 0.000 0.988 70 T HN 0.556 nan 8.240 nan 0.000 0.530 71 I N -0.208 120.265 120.570 -0.161 0.000 2.696 71 I HA 0.422 4.593 4.170 0.002 0.000 0.284 71 I C -0.186 175.868 176.117 -0.106 0.000 1.129 71 I CA -0.578 60.647 61.300 -0.126 0.000 1.410 71 I CB 0.451 38.303 38.000 -0.246 0.000 1.399 71 I HN -0.163 nan 8.210 nan 0.000 0.579 72 D N 5.162 125.564 120.400 0.004 0.000 2.422 72 D HA 0.168 4.809 4.640 0.002 0.000 0.227 72 D C 0.831 177.128 176.300 -0.004 0.000 1.190 72 D CA -0.269 53.742 54.000 0.018 0.000 0.905 72 D CB 1.324 42.170 40.800 0.077 0.000 1.034 72 D HN 0.476 nan 8.370 nan 0.000 0.507 73 V N 3.587 123.467 119.914 -0.056 0.000 2.548 73 V HA -0.160 3.961 4.120 0.002 0.000 0.249 73 V C 1.693 177.838 176.094 0.085 0.000 1.055 73 V CA 1.259 63.536 62.300 -0.037 0.000 1.065 73 V CB -0.200 31.609 31.823 -0.024 0.000 0.681 73 V HN 0.491 nan 8.190 nan 0.000 0.462 74 D N 0.763 121.208 120.400 0.074 0.000 2.117 74 D HA -0.098 4.543 4.640 0.002 0.000 0.198 74 D C 2.263 178.619 176.300 0.093 0.000 0.982 74 D CA 1.644 55.695 54.000 0.086 0.000 0.828 74 D CB -0.263 40.574 40.800 0.061 0.000 0.967 74 D HN 0.433 nan 8.370 nan 0.000 0.464 75 A N 0.856 123.736 122.820 0.100 0.000 1.902 75 A HA -0.131 4.190 4.320 0.002 0.000 0.217 75 A C 2.155 179.845 177.584 0.177 0.000 1.181 75 A CA 0.919 53.041 52.037 0.141 0.000 0.623 75 A CB -0.703 18.398 19.000 0.169 0.000 0.818 75 A HN 0.224 nan 8.150 nan 0.000 0.443 76 L N -0.031 121.251 121.223 0.099 0.000 2.012 76 L HA -0.145 4.196 4.340 0.002 0.000 0.210 76 L C 2.468 179.387 176.870 0.081 0.000 1.073 76 L CA 2.887 57.668 54.840 -0.098 0.000 0.748 76 L CB -1.200 40.666 42.059 -0.323 0.000 0.891 76 L HN 0.385 nan 8.230 nan 0.000 0.431 77 T N -0.289 114.364 114.554 0.165 0.000 2.684 77 T HA -0.221 4.131 4.350 0.002 0.000 0.267 77 T C 1.992 176.730 174.700 0.064 0.000 1.036 77 T CA 1.820 63.987 62.100 0.112 0.000 1.148 77 T CB -0.259 68.678 68.868 0.115 0.000 0.863 77 T HN 0.365 nan 8.240 nan 0.000 0.436 78 R N 0.826 121.373 120.500 0.079 0.000 2.096 78 R HA -0.090 4.252 4.340 0.002 0.000 0.235 78 R C 2.200 178.548 176.300 0.079 0.000 1.127 78 R CA 1.478 57.620 56.100 0.070 0.000 0.968 78 R CB -0.293 30.049 30.300 0.070 0.000 0.861 78 R HN 0.396 nan 8.270 nan 0.000 0.440 79 D N 0.539 121.002 120.400 0.106 0.000 2.144 79 D HA -0.092 4.549 4.640 0.002 0.000 0.200 79 D C 1.911 178.274 176.300 0.105 0.000 0.978 79 D CA 0.992 55.064 54.000 0.120 0.000 0.833 79 D CB -0.072 40.847 40.800 0.199 0.000 0.961 79 D HN 0.220 nan 8.370 nan 0.000 0.470 80 I N 1.083 121.705 120.570 0.086 0.000 2.252 80 I HA -0.206 3.965 4.170 0.002 0.000 0.245 80 I C 2.224 178.413 176.117 0.120 0.000 1.102 80 I CA 1.003 62.360 61.300 0.095 0.000 1.385 80 I CB -0.142 37.877 38.000 0.031 0.000 1.064 80 I HN -0.052 nan 8.210 nan 0.000 0.414 81 E N 0.435 120.678 120.200 0.072 0.000 2.118 81 E HA -0.282 4.069 4.350 0.002 0.000 0.195 81 E C 2.068 178.688 176.600 0.034 0.000 0.992 81 E CA 1.166 57.595 56.400 0.049 0.000 0.804 81 E CB -0.089 29.631 29.700 0.033 0.000 0.741 81 E HN 0.454 nan 8.360 nan 0.000 0.458 82 E N 0.489 120.724 120.200 0.057 0.000 2.072 82 E HA -0.163 4.188 4.350 0.002 0.000 0.191 82 E C 2.119 178.770 176.600 0.085 0.000 0.985 82 E CA 0.856 57.289 56.400 0.055 0.000 0.801 82 E CB 0.226 29.964 29.700 0.063 0.000 0.750 82 E HN 0.063 nan 8.360 nan 0.000 0.452 83 V N 1.170 121.168 119.914 0.140 0.000 2.343 83 V HA -0.288 3.833 4.120 0.002 0.000 0.247 83 V C 2.434 178.692 176.094 0.274 0.000 1.051 83 V CA 1.773 64.205 62.300 0.220 0.000 1.036 83 V CB -0.387 31.598 31.823 0.271 0.000 0.654 83 V HN 0.383 nan 8.190 nan 0.000 0.451 84 M N 0.430 120.153 119.600 0.206 0.000 2.213 84 M HA -0.119 4.362 4.480 0.002 0.000 0.263 84 M C 1.865 178.056 176.300 -0.182 0.000 1.062 84 M CA 2.089 57.427 55.300 0.064 0.000 1.105 84 M CB -0.585 32.002 32.600 -0.021 0.000 1.385 84 M HN 0.624 nan 8.290 nan 0.000 0.417 85 T N -4.059 110.385 114.554 -0.183 0.000 3.134 85 T HA 0.136 4.487 4.350 0.002 0.000 0.260 85 T C 0.350 174.984 174.700 -0.110 0.000 1.027 85 T CA -0.262 61.692 62.100 -0.244 0.000 0.913 85 T CB -0.208 68.516 68.868 -0.240 0.000 1.046 85 T HN 0.024 nan 8.240 nan 0.000 0.553 86 T N 2.352 116.900 114.554 -0.010 0.000 3.042 86 T HA 0.456 4.807 4.350 0.002 0.000 0.356 86 T C -0.038 174.709 174.700 0.079 0.000 1.233 86 T CA -0.427 61.693 62.100 0.033 0.000 1.038 86 T CB 1.049 69.963 68.868 0.078 0.000 1.089 86 T HN 0.276 nan 8.240 nan 0.000 0.531 87 S N 3.586 119.259 115.700 -0.045 0.000 2.549 87 S HA 0.102 4.573 4.470 0.002 0.000 0.286 87 S C 0.045 174.662 174.600 0.027 0.000 1.314 87 S CA -0.297 57.861 58.200 -0.069 0.000 1.062 87 S CB 0.226 63.345 63.200 -0.136 0.000 0.865 87 S HN 0.440 nan 8.310 nan 0.000 0.498 88 Q N 4.709 124.524 119.800 0.026 0.000 2.282 88 Q HA 0.326 4.668 4.340 0.002 0.000 0.260 88 Q C -1.636 174.195 176.000 -0.282 0.000 0.964 88 Q CA -2.345 53.328 55.803 -0.215 0.000 0.880 88 Q CB 1.338 29.699 28.738 -0.628 0.000 1.286 88 Q HN 0.464 nan 8.270 nan 0.000 0.445 89 P HA -0.094 nan 4.420 nan 0.000 0.226 89 P C 0.776 178.117 177.300 0.069 0.000 1.153 89 P CA 1.144 64.237 63.100 -0.011 0.000 0.777 89 P CB 0.016 31.767 31.700 0.086 0.000 0.794 90 W N -2.885 118.522 121.300 0.179 0.000 3.139 90 W HA 0.167 4.828 4.660 0.002 0.000 0.260 90 W C 0.168 176.920 176.519 0.388 0.000 1.312 90 W CA -0.210 57.265 57.345 0.216 0.000 1.606 90 W CB -0.727 28.841 29.460 0.179 0.000 1.118 90 W HN -0.044 nan 8.180 nan 0.000 0.675 91 W N 3.230 124.417 121.300 -0.188 0.000 1.660 91 W HA 0.232 4.893 4.660 0.002 0.000 0.312 91 W C -2.921 173.596 176.519 -0.003 0.000 0.987 91 W CA -1.779 55.529 57.345 -0.061 0.000 1.268 91 W CB 0.578 30.014 29.460 -0.040 0.000 1.360 91 W HN -0.365 nan 8.180 nan 0.000 0.352 92 P HA 0.004 nan 4.420 nan 0.000 0.265 92 P C -0.062 177.222 177.300 -0.027 0.000 1.187 92 P CA 0.744 63.803 63.100 -0.069 0.000 0.766 92 P CB 0.790 32.414 31.700 -0.126 0.000 0.820 93 A N 3.171 125.845 122.820 -0.244 0.000 2.404 93 A HA 0.152 4.473 4.320 0.002 0.000 0.273 93 A C 0.026 177.373 177.584 -0.395 0.000 1.144 93 A CA -0.334 51.343 52.037 -0.599 0.000 0.806 93 A CB -0.435 17.803 19.000 -1.270 0.000 1.080 93 A HN 0.429 nan 8.150 nan 0.000 0.509 94 D N 1.833 122.025 120.400 -0.348 0.000 2.533 94 D HA 0.097 4.739 4.640 0.002 0.000 0.236 94 D C 0.193 176.234 176.300 -0.431 0.000 1.137 94 D CA 1.192 54.801 54.000 -0.652 0.000 0.867 94 D CB -0.202 40.469 40.800 -0.214 0.000 1.170 94 D HN 0.568 nan 8.370 nan 0.000 0.474 95 Y N 0.053 120.031 120.300 -0.537 0.000 4.324 95 Y HA -0.282 4.269 4.550 0.002 0.000 0.224 95 Y C 1.564 177.344 175.900 -0.200 0.000 1.113 95 Y CA 0.563 58.487 58.100 -0.293 0.000 1.887 95 Y CB -1.856 36.503 38.460 -0.167 0.000 1.602 95 Y HN 0.739 nan 8.280 nan 0.000 0.654 96 G N -0.496 108.187 108.800 -0.195 0.000 2.225 96 G HA2 -0.338 3.623 3.960 0.002 0.000 0.267 96 G HA3 -0.338 3.623 3.960 0.002 0.000 0.267 96 G C -0.329 174.471 174.900 -0.168 0.000 1.024 96 G CA 0.565 45.558 45.100 -0.178 0.000 0.784 96 G HN 0.849 nan 8.290 nan 0.000 0.507 97 H N -1.713 117.200 119.070 -0.261 0.000 3.096 97 H HA 0.360 4.917 4.556 0.002 0.000 0.335 97 H C 0.112 175.290 175.328 -0.249 0.000 0.990 97 H CA -0.865 55.060 56.048 -0.205 0.000 1.393 97 H CB 0.792 30.515 29.762 -0.065 0.000 1.742 97 H HN 0.055 nan 8.280 nan 0.000 0.501 98 Y N 2.687 122.945 120.300 -0.070 0.000 2.578 98 Y HA 0.023 4.574 4.550 0.002 0.000 0.297 98 Y C 2.281 177.940 175.900 -0.400 0.000 1.176 98 Y CA 0.866 58.764 58.100 -0.338 0.000 1.315 98 Y CB 0.002 38.011 38.460 -0.752 0.000 1.031 98 Y HN 0.806 nan 8.280 nan 0.000 0.524 99 G N 1.618 110.537 108.800 0.199 0.000 2.599 99 G HA2 -0.284 3.677 3.960 0.002 0.000 0.219 99 G HA3 -0.284 3.677 3.960 0.002 0.000 0.219 99 G C -0.475 174.429 174.900 0.006 0.000 1.193 99 G CA 1.074 46.231 45.100 0.096 0.000 0.778 99 G HN 0.281 nan 8.290 nan 0.000 0.589 100 P HA -0.042 nan 4.420 nan 0.000 0.218 100 P C 2.002 179.427 177.300 0.208 0.000 1.149 100 P CA 0.500 63.665 63.100 0.109 0.000 0.817 100 P CB -0.105 31.720 31.700 0.209 0.000 0.785 101 L N -1.513 119.834 121.223 0.207 0.000 2.046 101 L HA -0.124 4.217 4.340 0.002 0.000 0.208 101 L C 2.008 179.092 176.870 0.357 0.000 1.077 101 L CA 1.983 56.982 54.840 0.264 0.000 0.747 101 L CB -1.319 40.900 42.059 0.266 0.000 0.896 101 L HN -0.159 nan 8.230 nan 0.000 0.432 102 F N -0.313 119.751 119.950 0.189 0.000 2.234 102 F HA -0.093 4.435 4.527 0.002 0.000 0.299 102 F C 2.389 178.293 175.800 0.174 0.000 1.087 102 F CA 0.734 58.824 58.000 0.151 0.000 1.340 102 F CB -0.998 38.079 39.000 0.128 0.000 1.031 102 F HN 0.102 nan 8.300 nan 0.000 0.500 103 I N -0.317 120.453 120.570 0.334 0.000 2.202 103 I HA -0.288 3.884 4.170 0.002 0.000 0.242 103 I C 2.723 179.126 176.117 0.477 0.000 1.091 103 I CA 1.254 62.741 61.300 0.311 0.000 1.368 103 I CB -0.458 37.574 38.000 0.053 0.000 1.058 103 I HN 0.003 nan 8.210 nan 0.000 0.410 104 R N 1.177 121.918 120.500 0.401 0.000 2.083 104 R HA -0.236 4.105 4.340 0.002 0.000 0.237 104 R C 2.443 178.876 176.300 0.222 0.000 1.137 104 R CA 1.854 58.199 56.100 0.410 0.000 0.951 104 R CB -0.301 30.149 30.300 0.250 0.000 0.851 104 R HN 0.300 nan 8.270 nan 0.000 0.434 105 M N 0.155 119.865 119.600 0.183 0.000 2.073 105 M HA -0.200 4.281 4.480 0.002 0.000 0.258 105 M C 2.148 178.526 176.300 0.129 0.000 1.070 105 M CA 2.365 57.728 55.300 0.105 0.000 1.103 105 M CB -0.221 32.470 32.600 0.151 0.000 1.321 105 M HN 0.319 nan 8.290 nan 0.000 0.405 106 A N 0.488 123.452 122.820 0.240 0.000 1.898 106 A HA -0.230 4.091 4.320 0.002 0.000 0.216 106 A C 2.081 179.783 177.584 0.196 0.000 1.181 106 A CA 1.501 53.664 52.037 0.211 0.000 0.620 106 A CB -1.631 17.583 19.000 0.356 0.000 0.819 106 A HN 0.941 nan 8.150 nan 0.000 0.442 107 W N 0.284 121.730 121.300 0.242 0.000 2.358 107 W HA -0.218 4.444 4.660 0.002 0.000 0.303 107 W C 1.800 178.440 176.519 0.201 0.000 1.208 107 W CA 1.803 59.285 57.345 0.229 0.000 1.274 107 W CB -0.689 29.037 29.460 0.444 0.000 1.138 107 W HN 0.583 nan 8.180 nan 0.000 0.515 108 H N 0.403 119.147 119.070 -0.543 0.000 2.423 108 H HA -0.082 4.476 4.556 0.002 0.000 0.297 108 H C 2.526 177.572 175.328 -0.470 0.000 1.075 108 H CA 1.158 56.791 56.048 -0.691 0.000 1.342 108 H CB -0.090 29.437 29.762 -0.392 0.000 1.395 108 H HN 0.252 nan 8.280 nan 0.000 0.530 109 A N 1.151 123.871 122.820 -0.168 0.000 1.902 109 A HA -0.090 4.231 4.320 0.002 0.000 0.217 109 A C 2.540 179.993 177.584 -0.218 0.000 1.181 109 A CA 1.476 53.401 52.037 -0.187 0.000 0.623 109 A CB -0.610 18.316 19.000 -0.124 0.000 0.818 109 A HN 0.431 nan 8.150 nan 0.000 0.443 110 A N -0.895 121.795 122.820 -0.217 0.000 2.072 110 A HA 0.310 4.631 4.320 0.002 0.000 0.216 110 A C 2.119 179.585 177.584 -0.197 0.000 1.156 110 A CA 1.271 53.183 52.037 -0.208 0.000 0.701 110 A CB -0.863 17.998 19.000 -0.231 0.000 0.816 110 A HN 0.730 nan 8.150 nan 0.000 0.458 111 G N -0.345 108.209 108.800 -0.410 0.000 2.848 111 G HA2 0.056 4.017 3.960 0.002 0.000 0.208 111 G HA3 0.056 4.017 3.960 0.002 0.000 0.208 111 G C 1.248 175.822 174.900 -0.543 0.000 1.152 111 G CA 1.345 46.070 45.100 -0.625 0.000 0.789 111 G HN 0.603 nan 8.290 nan 0.000 0.531 112 T N -3.058 111.316 114.554 -0.301 0.000 3.100 112 T HA 0.124 4.475 4.350 0.002 0.000 0.253 112 T C 0.848 175.628 174.700 0.133 0.000 1.118 112 T CA -0.575 61.455 62.100 -0.116 0.000 1.058 112 T CB -0.240 68.507 68.868 -0.201 0.000 0.953 112 T HN 0.179 nan 8.240 nan 0.000 0.515 113 Y N 4.207 124.490 120.300 -0.028 0.000 2.597 113 Y HA 0.300 4.852 4.550 0.002 0.000 0.336 113 Y C 0.489 176.424 175.900 0.058 0.000 1.216 113 Y CA -0.874 57.233 58.100 0.012 0.000 1.463 113 Y CB 0.525 38.962 38.460 -0.039 0.000 1.303 113 Y HN 0.291 nan 8.280 nan 0.000 0.576 114 R N 6.921 127.006 120.500 -0.692 0.000 2.651 114 R HA 0.331 4.672 4.340 0.002 0.000 0.278 114 R C 0.083 175.953 176.300 -0.717 0.000 1.010 114 R CA -0.313 55.486 56.100 -0.501 0.000 0.896 114 R CB 0.774 30.979 30.300 -0.157 0.000 1.211 114 R HN 0.893 nan 8.270 nan 0.000 0.456 115 I N -1.315 119.023 120.570 -0.386 0.000 2.676 115 I HA -0.125 4.046 4.170 0.002 0.000 0.259 115 I C 1.798 177.836 176.117 -0.133 0.000 1.194 115 I CA 0.795 61.957 61.300 -0.229 0.000 1.473 115 I CB -0.444 37.545 38.000 -0.018 0.000 1.096 115 I HN 0.722 nan 8.210 nan 0.000 0.443 116 H N 2.394 121.364 119.070 -0.166 0.000 2.389 116 H HA -0.162 4.395 4.556 0.002 0.000 0.299 116 H C 1.167 176.416 175.328 -0.130 0.000 1.081 116 H CA 2.202 58.180 56.048 -0.116 0.000 1.345 116 H CB 0.296 30.005 29.762 -0.088 0.000 1.393 116 H HN 0.672 nan 8.280 nan 0.000 0.520 117 D N -2.660 117.680 120.400 -0.100 0.000 2.500 117 D HA 0.104 4.745 4.640 0.002 0.000 0.218 117 D C 1.515 177.715 176.300 -0.166 0.000 1.140 117 D CA 0.761 54.678 54.000 -0.138 0.000 0.830 117 D CB -0.014 40.738 40.800 -0.080 0.000 1.055 117 D HN 0.409 nan 8.370 nan 0.000 0.512 118 G N 0.969 109.626 108.800 -0.238 0.000 2.184 118 G HA2 -0.348 3.613 3.960 0.002 0.000 0.264 118 G HA3 -0.348 3.613 3.960 0.002 0.000 0.264 118 G C 0.347 175.169 174.900 -0.130 0.000 0.975 118 G CA 0.248 45.222 45.100 -0.210 0.000 0.642 118 G HN 0.448 nan 8.290 nan 0.000 0.536 119 R N 0.149 120.543 120.500 -0.175 0.000 2.637 119 R HA 0.545 4.886 4.340 0.002 0.000 0.269 119 R C 1.112 177.381 176.300 -0.052 0.000 1.089 119 R CA 0.540 56.572 56.100 -0.114 0.000 1.177 119 R CB 0.479 30.662 30.300 -0.195 0.000 1.091 119 R HN 1.461 nan 8.270 nan 0.000 0.540 120 G N -0.610 108.231 108.800 0.068 0.000 2.760 120 G HA2 0.203 4.165 3.960 0.002 0.000 0.246 120 G HA3 0.203 4.165 3.960 0.002 0.000 0.246 120 G C -0.008 175.006 174.900 0.190 0.000 1.359 120 G CA -0.421 44.818 45.100 0.231 0.000 0.861 120 G HN 1.148 nan 8.290 nan 0.000 0.541 121 G N -2.588 106.287 108.800 0.125 0.000 2.661 121 G HA2 0.468 4.429 3.960 0.002 0.000 0.685 121 G HA3 0.468 4.429 3.960 0.002 0.000 0.685 121 G C 0.873 175.727 174.900 -0.077 0.000 1.298 121 G CA 0.956 46.071 45.100 0.025 0.000 0.855 121 G HN 2.479 nan 8.290 nan 0.000 0.560 122 A N -0.267 122.464 122.820 -0.148 0.000 2.218 122 A HA 0.511 4.833 4.320 0.002 0.000 0.209 122 A C 2.662 180.159 177.584 -0.146 0.000 1.168 122 A CA 1.682 53.622 52.037 -0.162 0.000 0.804 122 A CB -0.574 18.304 19.000 -0.203 0.000 0.834 122 A HN 2.407 nan 8.150 nan 0.000 0.482 123 G N 0.109 108.826 108.800 -0.138 0.000 2.507 123 G HA2 -0.047 3.915 3.960 0.002 0.000 0.221 123 G HA3 -0.047 3.915 3.960 0.002 0.000 0.221 123 G C 1.163 176.008 174.900 -0.092 0.000 1.119 123 G CA 1.283 46.308 45.100 -0.124 0.000 0.751 123 G HN 0.829 nan 8.290 nan 0.000 0.574 124 G N -1.448 107.306 108.800 -0.076 0.000 3.441 124 G HA2 0.433 4.394 3.960 0.002 0.000 0.263 124 G HA3 0.433 4.394 3.960 0.002 0.000 0.263 124 G C 0.992 175.832 174.900 -0.101 0.000 1.014 124 G CA 0.464 45.522 45.100 -0.069 0.000 0.833 124 G HN 1.303 nan 8.290 nan 0.000 0.514 125 G N 1.020 109.748 108.800 -0.121 0.000 2.249 125 G HA2 -0.309 3.653 3.960 0.002 0.000 0.273 125 G HA3 -0.309 3.653 3.960 0.002 0.000 0.273 125 G C 1.185 175.934 174.900 -0.251 0.000 1.036 125 G CA 0.567 45.564 45.100 -0.171 0.000 0.824 125 G HN 0.216 nan 8.290 nan 0.000 0.504 126 M N -0.521 118.983 119.600 -0.161 0.000 2.460 126 M HA -0.015 4.467 4.480 0.002 0.000 0.263 126 M C 2.256 178.418 176.300 -0.230 0.000 1.071 126 M CA 1.479 56.711 55.300 -0.112 0.000 1.096 126 M CB -0.630 31.960 32.600 -0.017 0.000 1.408 126 M HN 0.636 nan 8.290 nan 0.000 0.463 127 Q N 1.104 120.729 119.800 -0.293 0.000 2.364 127 Q HA -0.170 4.171 4.340 0.002 0.000 0.209 127 Q C 1.942 177.721 176.000 -0.369 0.000 0.977 127 Q CA 1.099 56.706 55.803 -0.327 0.000 0.885 127 Q CB 0.065 28.638 28.738 -0.274 0.000 0.941 127 Q HN 0.595 nan 8.270 nan 0.000 0.464 128 R N -1.250 118.934 120.500 -0.526 0.000 2.275 128 R HA 0.056 4.397 4.340 0.002 0.000 0.199 128 R C -0.078 175.859 176.300 -0.605 0.000 0.989 128 R CA 0.127 55.812 56.100 -0.692 0.000 1.016 128 R CB 0.090 29.791 30.300 -0.998 0.000 0.918 128 R HN 0.033 nan 8.270 nan 0.000 0.473 129 F N 0.817 120.636 119.950 -0.219 0.000 2.557 129 F HA 0.601 5.130 4.527 0.002 0.000 0.336 129 F C 0.626 176.332 175.800 -0.156 0.000 1.058 129 F CA -1.614 56.287 58.000 -0.165 0.000 0.988 129 F CB 1.100 40.024 39.000 -0.125 0.000 1.275 129 F HN -0.072 nan 8.300 nan 0.000 0.488 130 A N 1.703 124.600 122.820 0.127 0.000 2.445 130 A HA 0.284 4.606 4.320 0.002 0.000 0.242 130 A C -1.776 175.846 177.584 0.063 0.000 1.075 130 A CA -1.007 51.063 52.037 0.055 0.000 0.777 130 A CB -0.271 18.770 19.000 0.068 0.000 1.013 130 A HN 0.551 nan 8.150 nan 0.000 0.493 131 P HA 0.039 nan 4.420 nan 0.000 0.245 131 P C 1.161 178.319 177.300 -0.236 0.000 1.203 131 P CA 0.446 63.596 63.100 0.083 0.000 0.792 131 P CB 0.099 32.006 31.700 0.345 0.000 0.997 132 L N 1.026 121.906 121.223 -0.572 0.000 2.131 132 L HA -0.158 4.183 4.340 0.002 0.000 0.210 132 L C 2.237 178.812 176.870 -0.491 0.000 1.092 132 L CA 1.727 55.970 54.840 -0.995 0.000 0.759 132 L CB -1.236 40.282 42.059 -0.902 0.000 0.903 132 L HN 0.126 nan 8.230 nan 0.000 0.435 133 N N -1.362 117.175 118.700 -0.272 0.000 2.573 133 N HA -0.134 4.607 4.740 0.002 0.000 0.187 133 N C 1.145 176.640 175.510 -0.024 0.000 1.107 133 N CA 1.135 54.094 53.050 -0.151 0.000 0.918 133 N CB -0.151 38.234 38.487 -0.169 0.000 0.966 133 N HN 0.111 nan 8.380 nan 0.000 0.448 134 S N -1.830 113.849 115.700 -0.035 0.000 2.733 134 S HA 0.163 4.634 4.470 0.002 0.000 0.247 134 S C -0.627 173.978 174.600 0.009 0.000 1.043 134 S CA -0.796 57.381 58.200 -0.039 0.000 1.066 134 S CB 0.150 63.260 63.200 -0.150 0.000 1.045 134 S HN 0.236 nan 8.310 nan 0.000 0.586 135 W N 3.513 124.636 121.300 -0.295 0.000 2.257 135 W HA 0.183 4.845 4.660 0.002 0.000 0.337 135 W C -1.935 174.392 176.519 -0.320 0.000 1.321 135 W CA -1.778 55.257 57.345 -0.517 0.000 1.267 135 W CB -0.355 28.893 29.460 -0.352 0.000 1.187 135 W HN 0.113 nan 8.180 nan 0.000 0.565 136 P HA -0.253 nan 4.420 nan 0.000 0.216 136 P C 1.259 178.459 177.300 -0.166 0.000 1.157 136 P CA 2.063 65.050 63.100 -0.188 0.000 0.880 136 P CB 0.293 31.886 31.700 -0.179 0.000 0.791 137 D N -1.792 118.567 120.400 -0.067 0.000 2.310 137 D HA -0.083 4.558 4.640 0.002 0.000 0.212 137 D C 0.959 177.328 176.300 0.115 0.000 0.965 137 D CA 0.784 54.806 54.000 0.037 0.000 0.879 137 D CB -0.610 40.202 40.800 0.019 0.000 0.921 137 D HN 0.047 nan 8.370 nan 0.000 0.510 138 N N 0.071 118.791 118.700 0.034 0.000 2.276 138 N HA 0.172 4.913 4.740 0.002 0.000 0.212 138 N C -0.315 174.981 175.510 -0.356 0.000 1.127 138 N CA -0.068 52.970 53.050 -0.019 0.000 0.834 138 N CB 0.280 38.790 38.487 0.037 0.000 1.014 138 N HN 0.019 nan 8.380 nan 0.000 0.491 139 A N 0.013 122.353 122.820 -0.800 0.000 2.561 139 A HA 0.256 4.577 4.320 0.002 0.000 0.234 139 A C 1.228 178.349 177.584 -0.771 0.000 1.055 139 A CA 0.476 51.530 52.037 -1.638 0.000 0.756 139 A CB 0.075 18.224 19.000 -1.419 0.000 0.986 139 A HN 0.324 nan 8.150 nan 0.000 0.505 140 S N -0.078 115.251 115.700 -0.618 0.000 2.608 140 S HA -0.198 4.273 4.470 0.002 0.000 0.256 140 S C 1.042 175.478 174.600 -0.272 0.000 1.270 140 S CA 1.477 59.447 58.200 -0.383 0.000 1.465 140 S CB -1.862 61.200 63.200 -0.230 0.000 1.833 140 S HN 0.714 nan 8.310 nan 0.000 0.641 141 L N 1.986 123.104 121.223 -0.173 0.000 2.376 141 L HA -0.091 4.250 4.340 0.002 0.000 0.219 141 L C 2.405 179.234 176.870 -0.068 0.000 1.133 141 L CA 1.375 56.160 54.840 -0.091 0.000 0.816 141 L CB -0.629 41.376 42.059 -0.091 0.000 0.933 141 L HN 0.517 nan 8.230 nan 0.000 0.449 142 D N 0.588 120.979 120.400 -0.015 0.000 2.097 142 D HA -0.239 4.402 4.640 0.002 0.000 0.195 142 D C 1.852 178.096 176.300 -0.093 0.000 0.989 142 D CA 1.362 55.336 54.000 -0.042 0.000 0.827 142 D CB -0.131 40.689 40.800 0.033 0.000 0.966 142 D HN 0.113 nan 8.370 nan 0.000 0.456 143 K N 0.898 121.194 120.400 -0.174 0.000 2.057 143 K HA 0.153 4.474 4.320 0.002 0.000 0.206 143 K C 2.278 178.884 176.600 0.011 0.000 1.050 143 K CA 1.374 57.591 56.287 -0.116 0.000 0.935 143 K CB -0.657 31.442 32.500 -0.668 0.000 0.715 143 K HN 0.234 nan 8.250 nan 0.000 0.439 144 A N 1.158 123.958 122.820 -0.035 0.000 1.883 144 A HA -0.234 4.087 4.320 0.002 0.000 0.217 144 A C 2.076 179.754 177.584 0.157 0.000 1.186 144 A CA 1.845 53.981 52.037 0.165 0.000 0.624 144 A CB -0.465 18.652 19.000 0.195 0.000 0.822 144 A HN 0.228 nan 8.150 nan 0.000 0.444 145 R N -1.475 119.044 120.500 0.032 0.000 2.092 145 R HA -0.104 4.238 4.340 0.002 0.000 0.231 145 R C 2.437 178.807 176.300 0.117 0.000 1.119 145 R CA 1.412 57.507 56.100 -0.009 0.000 0.970 145 R CB -0.266 29.896 30.300 -0.231 0.000 0.864 145 R HN 0.426 nan 8.270 nan 0.000 0.440 146 R N 1.407 121.975 120.500 0.113 0.000 2.105 146 R HA -0.074 4.267 4.340 0.002 0.000 0.239 146 R C 1.966 178.536 176.300 0.449 0.000 1.135 146 R CA 1.327 57.559 56.100 0.220 0.000 0.967 146 R CB -0.676 29.678 30.300 0.091 0.000 0.861 146 R HN 0.197 nan 8.270 nan 0.000 0.442 147 L N -0.182 121.311 121.223 0.451 0.000 2.187 147 L HA -0.148 4.193 4.340 0.002 0.000 0.213 147 L C 1.737 178.812 176.870 0.341 0.000 1.100 147 L CA 0.981 56.050 54.840 0.382 0.000 0.765 147 L CB -0.226 41.913 42.059 0.133 0.000 0.904 147 L HN 0.221 nan 8.230 nan 0.000 0.437 148 L N -1.670 119.746 121.223 0.321 0.000 2.592 148 L HA -0.085 4.256 4.340 0.002 0.000 0.227 148 L C 2.073 179.124 176.870 0.301 0.000 1.127 148 L CA -0.067 54.913 54.840 0.233 0.000 0.884 148 L CB -0.322 41.804 42.059 0.111 0.000 1.065 148 L HN 0.486 nan 8.230 nan 0.000 0.457 149 W N 3.090 124.582 121.300 0.320 0.000 2.318 149 W HA -0.175 4.487 4.660 0.003 0.000 0.313 149 W C -0.988 175.609 176.519 0.130 0.000 1.221 149 W CA 1.301 58.811 57.345 0.275 0.000 1.266 149 W CB -1.198 28.441 29.460 0.297 0.000 1.150 149 W HN 0.116 nan 8.180 nan 0.000 0.496 150 P HA -0.224 nan 4.420 nan 0.000 0.217 150 P C 1.830 178.977 177.300 -0.254 0.000 1.151 150 P CA 2.219 65.149 63.100 -0.284 0.000 0.849 150 P CB -0.291 31.398 31.700 -0.018 0.000 0.787 151 V N -0.096 119.744 119.914 -0.124 0.000 2.283 151 V HA -0.212 3.909 4.120 0.002 0.000 0.243 151 V C 2.496 178.526 176.094 -0.106 0.000 1.039 151 V CA 1.908 64.189 62.300 -0.032 0.000 1.016 151 V CB -1.035 30.778 31.823 -0.017 0.000 0.650 151 V HN 0.051 nan 8.190 nan 0.000 0.449 152 K N 1.053 121.255 120.400 -0.331 0.000 2.063 152 K HA -0.231 4.090 4.320 0.002 0.000 0.208 152 K C 2.154 178.491 176.600 -0.438 0.000 1.048 152 K CA 1.865 57.888 56.287 -0.441 0.000 0.928 152 K CB -0.421 31.655 32.500 -0.706 0.000 0.713 152 K HN 0.376 nan 8.250 nan 0.000 0.442 153 K N 0.413 120.273 120.400 -0.900 0.000 2.063 153 K HA -0.213 4.108 4.320 0.002 0.000 0.208 153 K C 2.095 178.450 176.600 -0.408 0.000 1.048 153 K CA 1.814 57.532 56.287 -0.949 0.000 0.928 153 K CB -0.114 31.590 32.500 -1.328 0.000 0.713 153 K HN 0.123 nan 8.250 nan 0.000 0.442 154 K N -0.819 119.390 120.400 -0.317 0.000 2.076 154 K HA -0.119 4.202 4.320 0.002 0.000 0.204 154 K C 1.603 177.972 176.600 -0.385 0.000 1.051 154 K CA 1.262 57.362 56.287 -0.312 0.000 0.949 154 K CB 0.028 32.340 32.500 -0.313 0.000 0.726 154 K HN 0.173 nan 8.250 nan 0.000 0.443 155 Y N -0.119 120.097 120.300 -0.140 0.000 2.476 155 Y HA 0.164 4.715 4.550 0.002 0.000 0.283 155 Y C 1.583 177.457 175.900 -0.043 0.000 1.109 155 Y CA 0.498 58.548 58.100 -0.083 0.000 1.246 155 Y CB 0.160 38.573 38.460 -0.078 0.000 1.068 155 Y HN 0.335 nan 8.280 nan 0.000 0.552 156 G N 1.580 110.410 108.800 0.050 0.000 2.622 156 G HA2 -0.479 3.482 3.960 0.002 0.000 0.307 156 G HA3 -0.479 3.482 3.960 0.002 0.000 0.307 156 G C 1.253 176.240 174.900 0.146 0.000 1.226 156 G CA 0.899 46.040 45.100 0.069 0.000 0.997 156 G HN 0.466 nan 8.290 nan 0.000 0.551 157 K N 0.762 121.274 120.400 0.187 0.000 2.362 157 K HA 0.106 4.427 4.320 0.002 0.000 0.200 157 K C 2.006 178.885 176.600 0.465 0.000 1.046 157 K CA 1.694 58.176 56.287 0.326 0.000 0.952 157 K CB -0.090 32.618 32.500 0.346 0.000 0.753 157 K HN 0.470 nan 8.250 nan 0.000 0.466 158 K N 0.348 120.925 120.400 0.296 0.000 2.486 158 K HA 0.041 4.362 4.320 0.002 0.000 0.194 158 K C -0.269 176.492 176.600 0.268 0.000 1.033 158 K CA 0.213 56.628 56.287 0.214 0.000 1.004 158 K CB 0.085 32.658 32.500 0.121 0.000 0.798 158 K HN 0.075 nan 8.250 nan 0.000 0.495 159 L N 0.715 122.143 121.223 0.342 0.000 2.491 159 L HA 0.152 4.494 4.340 0.002 0.000 0.267 159 L C -0.537 176.427 176.870 0.158 0.000 0.971 159 L CA -0.483 54.526 54.840 0.280 0.000 0.857 159 L CB 1.716 43.822 42.059 0.079 0.000 1.226 159 L HN -0.020 nan 8.230 nan 0.000 0.408 160 S N 2.161 117.927 115.700 0.110 0.000 2.585 160 S HA 0.157 4.628 4.470 0.002 0.000 0.273 160 S C 0.883 175.444 174.600 -0.065 0.000 1.339 160 S CA -0.236 57.887 58.200 -0.127 0.000 1.028 160 S CB 0.462 63.429 63.200 -0.387 0.000 0.906 160 S HN 0.753 nan 8.310 nan 0.000 0.528 161 W N 1.310 122.565 121.300 -0.075 0.000 2.342 161 W HA -0.085 4.576 4.660 0.003 0.000 0.297 161 W C 2.737 179.193 176.519 -0.105 0.000 1.213 161 W CA 1.197 58.491 57.345 -0.086 0.000 1.251 161 W CB -0.580 28.783 29.460 -0.162 0.000 1.136 161 W HN 0.942 nan 8.180 nan 0.000 0.526 162 A N 0.263 123.137 122.820 0.090 0.000 1.865 162 A HA -0.261 4.060 4.320 0.002 0.000 0.217 162 A C 1.702 179.305 177.584 0.032 0.000 1.191 162 A CA 2.298 54.336 52.037 0.001 0.000 0.623 162 A CB -0.948 18.006 19.000 -0.076 0.000 0.826 162 A HN 0.171 nan 8.150 nan 0.000 0.444 163 D N -0.646 119.800 120.400 0.077 0.000 2.097 163 D HA -0.106 4.535 4.640 0.002 0.000 0.197 163 D C 1.871 178.283 176.300 0.186 0.000 0.984 163 D CA 1.230 55.329 54.000 0.166 0.000 0.826 163 D CB -0.445 40.554 40.800 0.333 0.000 0.973 163 D HN 0.306 nan 8.370 nan 0.000 0.460 164 L N 0.933 122.239 121.223 0.138 0.000 2.042 164 L HA -0.110 4.231 4.340 0.002 0.000 0.210 164 L C 2.110 179.038 176.870 0.095 0.000 1.076 164 L CA 1.324 56.225 54.840 0.102 0.000 0.749 164 L CB -0.579 41.454 42.059 -0.043 0.000 0.893 164 L HN 0.007 nan 8.230 nan 0.000 0.432 165 I N -0.975 119.665 120.570 0.117 0.000 2.179 165 I HA -0.279 3.892 4.170 0.002 0.000 0.242 165 I C 2.332 178.482 176.117 0.054 0.000 1.088 165 I CA 1.679 63.017 61.300 0.064 0.000 1.357 165 I CB -0.390 37.640 38.000 0.051 0.000 1.051 165 I HN 0.326 nan 8.210 nan 0.000 0.409 166 V N -2.573 117.394 119.914 0.089 0.000 2.591 166 V HA -0.173 3.948 4.120 0.002 0.000 0.249 166 V C 2.316 178.533 176.094 0.205 0.000 1.053 166 V CA 0.997 63.377 62.300 0.134 0.000 1.068 166 V CB -1.070 30.779 31.823 0.044 0.000 0.689 166 V HN 0.292 nan 8.190 nan 0.000 0.462 167 F N 2.369 122.257 119.950 -0.103 0.000 2.186 167 F HA 0.180 4.708 4.527 0.002 0.000 0.299 167 F C 2.422 178.082 175.800 -0.234 0.000 1.090 167 F CA 0.921 58.605 58.000 -0.527 0.000 1.307 167 F CB -0.669 37.882 39.000 -0.748 0.000 1.019 167 F HN 0.196 nan 8.300 nan 0.000 0.489 168 A N 0.244 122.984 122.820 -0.133 0.000 1.908 168 A HA -0.100 4.221 4.320 0.002 0.000 0.218 168 A C 2.544 180.121 177.584 -0.012 0.000 1.181 168 A CA 1.801 53.742 52.037 -0.161 0.000 0.627 168 A CB -1.770 17.033 19.000 -0.328 0.000 0.818 168 A HN 0.472 nan 8.150 nan 0.000 0.445 169 G N -0.433 108.435 108.800 0.114 0.000 2.418 169 G HA2 -0.305 3.656 3.960 0.002 0.000 0.217 169 G HA3 -0.305 3.656 3.960 0.002 0.000 0.217 169 G C 1.568 176.567 174.900 0.165 0.000 1.158 169 G CA 1.019 46.285 45.100 0.277 0.000 0.771 169 G HN 0.607 nan 8.290 nan 0.000 0.545 170 N N -0.233 118.564 118.700 0.162 0.000 2.084 170 N HA -0.134 4.608 4.740 0.002 0.000 0.190 170 N C 2.202 177.581 175.510 -0.218 0.000 1.030 170 N CA 1.410 54.494 53.050 0.057 0.000 0.849 170 N CB -0.186 38.327 38.487 0.043 0.000 1.012 170 N HN 0.279 nan 8.380 nan 0.000 0.423 171 C N 0.791 119.831 119.300 -0.433 0.000 2.425 171 C HA -0.010 4.452 4.460 0.002 0.000 0.277 171 C C 2.937 177.836 174.990 -0.150 0.000 1.280 171 C CA 0.663 59.459 59.018 -0.371 0.000 1.744 171 C CB -1.279 26.182 27.740 -0.465 0.000 1.989 171 C HN 0.515 nan 8.230 nan 0.000 0.491 172 A N 0.585 123.356 122.820 -0.082 0.000 1.865 172 A HA -0.165 4.156 4.320 0.002 0.000 0.217 172 A C 2.111 179.565 177.584 -0.217 0.000 1.191 172 A CA 1.687 53.694 52.037 -0.051 0.000 0.623 172 A CB -0.714 18.285 19.000 -0.001 0.000 0.826 172 A HN 0.600 nan 8.150 nan 0.000 0.444 173 L N -0.573 120.465 121.223 -0.309 0.000 1.989 173 L HA -0.234 4.107 4.340 0.002 0.000 0.211 173 L C 2.782 179.594 176.870 -0.097 0.000 1.071 173 L CA 1.736 56.380 54.840 -0.326 0.000 0.749 173 L CB -0.641 41.219 42.059 -0.333 0.000 0.890 173 L HN 0.443 nan 8.230 nan 0.000 0.431 174 E N -0.101 120.045 120.200 -0.089 0.000 2.077 174 E HA -0.204 4.147 4.350 0.002 0.000 0.193 174 E C 2.324 178.917 176.600 -0.012 0.000 0.989 174 E CA 1.715 58.081 56.400 -0.056 0.000 0.800 174 E CB -0.231 29.421 29.700 -0.080 0.000 0.746 174 E HN 0.570 nan 8.360 nan 0.000 0.452 175 S N 0.208 115.905 115.700 -0.006 0.000 2.447 175 S HA -0.065 4.407 4.470 0.002 0.000 0.233 175 S C 1.783 176.434 174.600 0.085 0.000 1.006 175 S CA 0.761 58.998 58.200 0.061 0.000 0.957 175 S CB -0.147 63.129 63.200 0.127 0.000 0.773 175 S HN 0.155 nan 8.310 nan 0.000 0.507 176 M N 0.686 120.313 119.600 0.044 0.000 2.475 176 M HA 0.357 4.838 4.480 0.002 0.000 0.283 176 M C 1.201 177.657 176.300 0.260 0.000 1.165 176 M CA 0.392 55.757 55.300 0.108 0.000 0.976 176 M CB 0.893 33.516 32.600 0.038 0.000 1.428 176 M HN 0.562 nan 8.290 nan 0.000 0.495 177 G N 1.261 110.177 108.800 0.193 0.000 2.163 177 G HA2 -0.251 3.710 3.960 0.002 0.000 0.213 177 G HA3 -0.251 3.710 3.960 0.002 0.000 0.213 177 G C -0.405 174.606 174.900 0.185 0.000 0.991 177 G CA -0.639 44.584 45.100 0.206 0.000 0.653 177 G HN 0.433 nan 8.290 nan 0.000 0.518 178 F N 2.275 122.193 119.950 -0.053 0.000 2.388 178 F HA 0.652 5.181 4.527 0.002 0.000 0.358 178 F C 0.421 176.059 175.800 -0.269 0.000 1.122 178 F CA -1.287 56.510 58.000 -0.338 0.000 1.056 178 F CB 1.105 39.827 39.000 -0.464 0.000 1.155 178 F HN -0.040 nan 8.300 nan 0.000 0.461 179 K N 5.480 125.330 120.400 -0.915 0.000 2.316 179 K HA 0.194 4.515 4.320 0.002 0.000 0.289 179 K C 0.093 176.185 176.600 -0.847 0.000 1.070 179 K CA -0.209 55.685 56.287 -0.653 0.000 0.928 179 K CB 0.501 32.743 32.500 -0.430 0.000 1.039 179 K HN 0.822 nan 8.250 nan 0.000 0.480 180 T N 0.812 115.132 114.554 -0.391 0.000 2.816 180 T HA 0.099 4.451 4.350 0.002 0.000 0.282 180 T C 0.982 175.676 174.700 -0.011 0.000 0.993 180 T CA -0.579 61.450 62.100 -0.118 0.000 0.994 180 T CB 0.528 69.481 68.868 0.142 0.000 1.025 180 T HN 0.509 nan 8.240 nan 0.000 0.529 181 F N 1.064 120.997 119.950 -0.028 0.000 2.325 181 F HA 0.371 4.900 4.527 0.003 0.000 0.299 181 F C 1.244 176.955 175.800 -0.148 0.000 1.090 181 F CA 1.340 59.262 58.000 -0.130 0.000 1.392 181 F CB -0.417 38.467 39.000 -0.194 0.000 1.053 181 F HN 1.202 nan 8.300 nan 0.000 0.521 182 G N -1.000 107.880 108.800 0.132 0.000 2.369 182 G HA2 0.284 4.246 3.960 0.002 0.000 0.293 182 G HA3 0.284 4.246 3.960 0.002 0.000 0.293 182 G C -2.089 173.211 174.900 0.667 0.000 1.301 182 G CA -0.554 44.663 45.100 0.194 0.000 0.913 182 G HN 0.208 nan 8.290 nan 0.000 0.540 183 F N 0.058 120.274 119.950 0.443 0.000 2.635 183 F HA 0.643 5.171 4.527 0.002 0.000 0.314 183 F C 0.021 176.026 175.800 0.342 0.000 1.119 183 F CA 0.247 58.532 58.000 0.474 0.000 1.000 183 F CB 1.989 41.212 39.000 0.372 0.000 1.278 183 F HN 1.077 nan 8.300 nan 0.000 0.446 184 G N 4.745 113.385 108.800 -0.267 0.000 2.417 184 G HA2 0.536 4.498 3.960 0.002 0.000 0.320 184 G HA3 0.536 4.498 3.960 0.002 0.000 0.320 184 G C -1.389 173.133 174.900 -0.631 0.000 1.204 184 G CA -0.433 44.535 45.100 -0.220 0.000 0.923 184 G HN 0.493 nan 8.290 nan 0.000 0.466 185 F N 0.542 120.408 119.950 -0.141 0.000 2.368 185 F HA 0.571 5.099 4.527 0.002 0.000 0.308 185 F C 1.512 177.275 175.800 -0.062 0.000 1.198 185 F CA 0.915 58.890 58.000 -0.041 0.000 1.130 185 F CB 1.671 40.689 39.000 0.030 0.000 1.300 185 F HN 0.724 nan 8.300 nan 0.000 0.537 186 G N 0.363 109.345 108.800 0.304 0.000 2.227 186 G HA2 -0.177 3.784 3.960 0.002 0.000 0.168 186 G HA3 -0.177 3.784 3.960 0.002 0.000 0.168 186 G C -0.111 174.930 174.900 0.235 0.000 1.006 186 G CA -0.874 44.382 45.100 0.260 0.000 0.684 186 G HN 0.496 nan 8.290 nan 0.000 0.489 187 R N 0.747 121.329 120.500 0.138 0.000 2.370 187 R HA 0.453 4.795 4.340 0.002 0.000 0.309 187 R C 0.290 176.550 176.300 -0.066 0.000 1.059 187 R CA -0.163 55.937 56.100 -0.000 0.000 0.981 187 R CB 1.338 31.592 30.300 -0.077 0.000 0.972 187 R HN 0.081 nan 8.270 nan 0.000 0.437 188 V N 3.862 123.737 119.914 -0.066 0.000 2.498 188 V HA 0.019 4.140 4.120 0.002 0.000 0.279 188 V C 0.358 176.348 176.094 -0.173 0.000 1.048 188 V CA -0.364 61.849 62.300 -0.146 0.000 0.967 188 V CB 1.266 33.118 31.823 0.049 0.000 0.988 188 V HN 0.647 nan 8.190 nan 0.000 0.473 189 D N 3.530 123.774 120.400 -0.260 0.000 2.382 189 D HA 0.253 4.894 4.640 0.002 0.000 0.245 189 D C 0.167 176.181 176.300 -0.476 0.000 1.120 189 D CA 0.048 53.834 54.000 -0.357 0.000 0.890 189 D CB 0.850 41.373 40.800 -0.461 0.000 1.201 189 D HN 0.499 nan 8.370 nan 0.000 0.433 190 Q N 1.304 120.810 119.800 -0.489 0.000 2.252 190 Q HA 0.329 4.670 4.340 0.002 0.000 0.256 190 Q C 0.191 175.772 176.000 -0.698 0.000 1.020 190 Q CA -0.624 54.912 55.803 -0.445 0.000 0.913 190 Q CB 1.285 29.982 28.738 -0.068 0.000 1.286 190 Q HN 0.603 nan 8.270 nan 0.000 0.480 191 W N -0.036 121.326 121.300 0.103 0.000 2.725 191 W HA 0.135 4.796 4.660 0.002 0.000 0.336 191 W C 0.306 176.592 176.519 -0.389 0.000 1.012 191 W CA -0.268 57.074 57.345 -0.005 0.000 1.566 191 W CB 1.139 30.607 29.460 0.012 0.000 1.068 191 W HN 0.594 nan 8.180 nan 0.000 0.546 192 E N 0.808 120.820 120.200 -0.313 0.000 2.367 192 E HA 0.416 4.767 4.350 0.002 0.000 0.273 192 E C -2.727 173.607 176.600 -0.443 0.000 0.903 192 E CA -2.586 53.511 56.400 -0.506 0.000 0.764 192 E CB 2.192 31.785 29.700 -0.178 0.000 1.252 192 E HN -0.354 nan 8.360 nan 0.000 0.446 193 P HA 0.022 nan 4.420 nan 0.000 0.271 193 P C -0.611 176.690 177.300 0.002 0.000 1.216 193 P CA -0.055 63.002 63.100 -0.071 0.000 0.771 193 P CB 0.579 32.279 31.700 -0.001 0.000 0.864 194 D N 2.264 122.699 120.400 0.058 0.000 2.434 194 D HA -0.009 4.632 4.640 0.002 0.000 0.252 194 D C -0.222 176.120 176.300 0.069 0.000 1.185 194 D CA 0.390 54.421 54.000 0.052 0.000 0.886 194 D CB 0.126 40.960 40.800 0.058 0.000 1.148 194 D HN 0.210 nan 8.370 nan 0.000 0.483 195 E N 2.259 122.480 120.200 0.036 0.000 2.152 195 E HA 0.349 4.701 4.350 0.002 0.000 0.285 195 E C -0.787 175.791 176.600 -0.037 0.000 1.043 195 E CA -0.530 55.895 56.400 0.042 0.000 0.839 195 E CB 1.028 30.751 29.700 0.038 0.000 1.069 195 E HN 0.185 nan 8.360 nan 0.000 0.399 196 V N 3.890 123.732 119.914 -0.119 0.000 2.735 196 V HA 0.149 4.270 4.120 0.002 0.000 0.310 196 V C -0.886 174.878 176.094 -0.550 0.000 1.061 196 V CA -1.037 60.982 62.300 -0.468 0.000 0.913 196 V CB 1.352 32.583 31.823 -0.987 0.000 1.005 196 V HN 0.596 nan 8.190 nan 0.000 0.428 197 Y N 2.468 122.464 120.300 -0.508 0.000 2.584 197 Y HA 0.208 4.759 4.550 0.002 0.000 0.351 197 Y C 0.203 175.880 175.900 -0.373 0.000 1.030 197 Y CA -0.532 57.376 58.100 -0.320 0.000 1.332 197 Y CB 0.522 38.866 38.460 -0.194 0.000 1.148 197 Y HN 0.763 nan 8.280 nan 0.000 0.528 198 W N 4.203 125.281 121.300 -0.369 0.000 3.220 198 W HA 0.489 5.150 4.660 0.002 0.000 0.328 198 W C 0.759 176.959 176.519 -0.531 0.000 1.205 198 W CA 0.456 57.642 57.345 -0.264 0.000 1.773 198 W CB 0.490 30.016 29.460 0.110 0.000 1.086 198 W HN 0.950 nan 8.180 nan 0.000 0.622 199 G N -0.015 108.202 108.800 -0.972 0.000 2.339 199 G HA2 -0.115 3.847 3.960 0.002 0.000 0.381 199 G HA3 -0.115 3.847 3.960 0.002 0.000 0.381 199 G C 0.058 174.692 174.900 -0.443 0.000 1.400 199 G CA -0.873 43.786 45.100 -0.734 0.000 1.002 199 G HN -0.057 nan 8.290 nan 0.000 0.633 200 K N -0.196 120.143 120.400 -0.100 0.000 2.228 200 K HA 0.043 4.364 4.320 0.002 0.000 0.202 200 K C 0.496 177.070 176.600 -0.042 0.000 1.051 200 K CA 0.781 57.091 56.287 0.037 0.000 0.960 200 K CB 0.029 32.568 32.500 0.065 0.000 0.743 200 K HN 0.528 nan 8.250 nan 0.000 0.458 201 E N 0.253 120.398 120.200 -0.092 0.000 2.376 201 E HA 0.010 4.361 4.350 0.002 0.000 0.266 201 E C 0.110 176.604 176.600 -0.178 0.000 1.009 201 E CA -0.039 56.294 56.400 -0.111 0.000 0.902 201 E CB 1.020 30.655 29.700 -0.108 0.000 0.972 201 E HN 0.163 nan 8.360 nan 0.000 0.439 202 A N 3.308 126.028 122.820 -0.166 0.000 2.423 202 A HA 0.156 4.477 4.320 0.002 0.000 0.246 202 A C 0.118 177.535 177.584 -0.278 0.000 1.278 202 A CA -0.138 51.767 52.037 -0.221 0.000 0.903 202 A CB 0.200 19.116 19.000 -0.141 0.000 0.997 202 A HN 0.456 nan 8.150 nan 0.000 0.510 203 T N -0.553 113.850 114.554 -0.251 0.000 2.841 203 T HA 0.372 4.723 4.350 0.002 0.000 0.283 203 T C -0.580 174.000 174.700 -0.200 0.000 1.000 203 T CA -0.423 61.551 62.100 -0.210 0.000 0.977 203 T CB 0.675 69.498 68.868 -0.076 0.000 0.979 203 T HN 0.409 nan 8.240 nan 0.000 0.446 204 W N 3.514 124.789 121.300 -0.041 0.000 2.257 204 W HA 0.296 4.958 4.660 0.002 0.000 0.337 204 W C 0.988 177.464 176.519 -0.071 0.000 1.321 204 W CA -0.418 56.883 57.345 -0.072 0.000 1.267 204 W CB -0.061 29.379 29.460 -0.033 0.000 1.187 204 W HN 0.705 nan 8.180 nan 0.000 0.565 205 L N 1.731 123.062 121.223 0.181 0.000 4.884 205 L HA -0.222 4.120 4.340 0.002 0.000 0.430 205 L C 1.191 178.085 176.870 0.040 0.000 1.087 205 L CA 0.586 55.469 54.840 0.071 0.000 1.033 205 L CB -2.222 39.884 42.059 0.078 0.000 2.030 205 L HN 0.720 nan 8.230 nan 0.000 0.762 206 G N 0.263 109.072 108.800 0.016 0.000 2.614 206 G HA2 0.327 4.288 3.960 0.002 0.000 0.239 206 G HA3 0.327 4.288 3.960 0.002 0.000 0.239 206 G C -0.375 174.528 174.900 0.004 0.000 1.240 206 G CA 0.675 45.773 45.100 -0.003 0.000 0.842 206 G HN 0.249 nan 8.290 nan 0.000 0.584 207 D N -0.217 120.199 120.400 0.026 0.000 2.479 207 D HA 0.263 4.904 4.640 0.002 0.000 0.246 207 D C -0.141 176.197 176.300 0.063 0.000 1.336 207 D CA -0.541 53.498 54.000 0.064 0.000 0.967 207 D CB 0.894 41.759 40.800 0.109 0.000 1.275 207 D HN 0.399 nan 8.370 nan 0.000 0.577 208 E N 2.704 122.929 120.200 0.041 0.000 3.428 208 E HA 0.158 4.510 4.350 0.002 0.000 0.191 208 E C 0.558 177.170 176.600 0.020 0.000 0.980 208 E CA -0.038 56.384 56.400 0.037 0.000 1.305 208 E CB 0.811 30.518 29.700 0.013 0.000 1.105 208 E HN 0.411 nan 8.360 nan 0.000 0.455 209 R N -0.436 120.069 120.500 0.009 0.000 2.565 209 R HA 0.249 4.591 4.340 0.002 0.000 0.347 209 R C -0.470 175.653 176.300 -0.295 0.000 1.010 209 R CA -0.287 55.733 56.100 -0.133 0.000 1.126 209 R CB 0.127 30.304 30.300 -0.204 0.000 1.331 209 R HN -0.037 nan 8.270 nan 0.000 0.552 210 Y N 1.082 121.389 120.300 0.013 0.000 2.393 210 Y HA 0.466 5.017 4.550 0.002 0.000 0.341 210 Y C 0.337 176.244 175.900 0.011 0.000 0.988 210 Y CA -0.482 57.626 58.100 0.014 0.000 1.078 210 Y CB 2.278 40.749 38.460 0.018 0.000 1.203 210 Y HN 0.173 nan 8.280 nan 0.000 0.453 211 S N 0.755 116.554 115.700 0.166 0.000 2.732 211 S HA 0.896 5.367 4.470 0.002 0.000 0.293 211 S C 0.202 174.865 174.600 0.104 0.000 1.159 211 S CA -0.322 57.940 58.200 0.102 0.000 0.847 211 S CB 1.402 64.632 63.200 0.051 0.000 1.169 211 S HN 1.487 nan 8.310 nan 0.000 0.501 212 G N 1.623 110.463 108.800 0.067 0.000 2.582 212 G HA2 -0.306 3.655 3.960 0.002 0.000 0.288 212 G HA3 -0.306 3.655 3.960 0.002 0.000 0.288 212 G C 0.460 175.394 174.900 0.057 0.000 1.247 212 G CA 0.748 45.881 45.100 0.056 0.000 0.972 212 G HN 0.897 nan 8.290 nan 0.000 0.557 213 K N -0.194 120.237 120.400 0.051 0.000 1.991 213 K HA 0.065 4.386 4.320 0.002 0.000 0.207 213 K C 1.805 178.429 176.600 0.039 0.000 1.045 213 K CA 1.513 57.821 56.287 0.036 0.000 0.937 213 K CB 0.024 32.541 32.500 0.028 0.000 0.720 213 K HN 0.334 nan 8.250 nan 0.000 0.438 214 R N 1.140 121.691 120.500 0.084 0.000 2.470 214 R HA 0.082 4.423 4.340 0.002 0.000 0.296 214 R C -1.971 174.512 176.300 0.304 0.000 1.187 214 R CA -0.099 56.079 56.100 0.131 0.000 1.310 214 R CB 0.120 30.432 30.300 0.020 0.000 1.369 214 R HN 0.026 nan 8.270 nan 0.000 0.733 215 D N 1.367 121.925 120.400 0.263 0.000 2.325 215 D HA 0.082 4.723 4.640 0.002 0.000 0.251 215 D C -0.284 176.071 176.300 0.091 0.000 1.196 215 D CA -0.259 53.839 54.000 0.163 0.000 0.866 215 D CB 1.475 42.324 40.800 0.082 0.000 1.101 215 D HN 0.123 nan 8.370 nan 0.000 0.476 216 L N 2.152 123.344 121.223 -0.052 0.000 2.349 216 L HA 0.124 4.466 4.340 0.002 0.000 0.275 216 L C 0.551 177.271 176.870 -0.251 0.000 1.115 216 L CA -0.335 54.256 54.840 -0.416 0.000 0.820 216 L CB 0.848 42.719 42.059 -0.314 0.000 1.135 216 L HN 0.325 nan 8.230 nan 0.000 0.445 217 E N 3.778 123.806 120.200 -0.286 0.000 2.480 217 E HA -0.041 4.311 4.350 0.002 0.000 0.258 217 E C -0.541 175.961 176.600 -0.165 0.000 0.984 217 E CA 0.085 56.384 56.400 -0.168 0.000 0.930 217 E CB 0.185 29.813 29.700 -0.119 0.000 0.936 217 E HN 0.768 nan 8.360 nan 0.000 0.466 218 N N 5.099 123.675 118.700 -0.206 0.000 2.518 218 N HA 0.071 4.812 4.740 0.002 0.000 0.266 218 N C -1.882 173.475 175.510 -0.254 0.000 1.196 218 N CA -1.171 51.656 53.050 -0.371 0.000 0.947 218 N CB 0.859 38.945 38.487 -0.668 0.000 1.098 218 N HN 0.466 nan 8.380 nan 0.000 0.450 219 P HA 0.100 nan 4.420 nan 0.000 0.258 219 P C -0.512 176.732 177.300 -0.095 0.000 1.416 219 P CA 0.136 63.086 63.100 -0.249 0.000 0.927 219 P CB 0.267 31.971 31.700 0.007 0.000 1.444 220 L N 0.063 121.242 121.223 -0.074 0.000 2.452 220 L HA 0.406 4.748 4.340 0.002 0.000 0.267 220 L C 1.210 178.074 176.870 -0.011 0.000 1.188 220 L CA -0.316 54.507 54.840 -0.029 0.000 0.821 220 L CB 0.411 42.435 42.059 -0.058 0.000 1.102 220 L HN -0.066 nan 8.230 nan 0.000 0.470 221 A N 1.610 124.461 122.820 0.051 0.000 2.624 221 A HA 0.691 5.012 4.320 0.002 0.000 0.287 221 A C 0.148 177.821 177.584 0.148 0.000 1.087 221 A CA 0.196 52.292 52.037 0.099 0.000 0.964 221 A CB 0.370 19.438 19.000 0.114 0.000 1.231 221 A HN 0.708 nan 8.150 nan 0.000 0.551 222 A N -0.605 122.268 122.820 0.087 0.000 2.454 222 A HA 0.632 4.953 4.320 0.002 0.000 0.302 222 A C 0.862 178.486 177.584 0.067 0.000 1.079 222 A CA 0.210 52.294 52.037 0.078 0.000 0.731 222 A CB 0.931 19.915 19.000 -0.027 0.000 1.299 222 A HN 1.137 nan 8.150 nan 0.000 0.413 223 V N -1.864 118.128 119.914 0.130 0.000 3.052 223 V HA 0.217 4.339 4.120 0.002 0.000 0.254 223 V C 0.383 176.580 176.094 0.172 0.000 1.100 223 V CA 1.198 63.636 62.300 0.229 0.000 1.112 223 V CB -0.990 31.004 31.823 0.285 0.000 0.738 223 V HN 0.727 nan 8.190 nan 0.000 0.469 224 Q N -0.266 119.566 119.800 0.053 0.000 2.456 224 Q HA 0.563 4.904 4.340 0.002 0.000 0.284 224 Q C -1.120 174.815 176.000 -0.109 0.000 1.061 224 Q CA -1.082 54.723 55.803 0.004 0.000 0.799 224 Q CB 2.322 31.074 28.738 0.024 0.000 1.445 224 Q HN 0.300 nan 8.270 nan 0.000 0.411 225 M N 1.196 120.725 119.600 -0.117 0.000 2.356 225 M HA 0.304 4.786 4.480 0.002 0.000 0.348 225 M C 0.726 176.866 176.300 -0.267 0.000 1.595 225 M CA 1.609 56.787 55.300 -0.203 0.000 1.095 225 M CB -0.623 31.884 32.600 -0.154 0.000 1.963 225 M HN 0.835 nan 8.290 nan 0.000 0.459 226 G N 3.921 112.248 108.800 -0.789 0.000 2.159 226 G HA2 -0.160 3.801 3.960 0.002 0.000 0.227 226 G HA3 -0.160 3.801 3.960 0.002 0.000 0.227 226 G C -0.269 174.131 174.900 -0.833 0.000 0.986 226 G CA 0.080 44.455 45.100 -1.209 0.000 0.651 226 G HN 0.693 nan 8.290 nan 0.000 0.523 227 L N 0.754 121.610 121.223 -0.611 0.000 2.344 227 L HA 0.501 4.842 4.340 0.002 0.000 0.272 227 L C 1.749 178.433 176.870 -0.310 0.000 1.035 227 L CA -1.459 53.198 54.840 -0.305 0.000 0.807 227 L CB 0.940 42.924 42.059 -0.125 0.000 1.237 227 L HN -0.146 nan 8.230 nan 0.000 0.442 228 I N 0.334 120.736 120.570 -0.280 0.000 2.206 228 I HA -0.166 4.005 4.170 0.002 0.000 0.239 228 I C 1.295 177.024 176.117 -0.647 0.000 1.078 228 I CA 2.080 63.056 61.300 -0.539 0.000 1.367 228 I CB -0.545 36.902 38.000 -0.922 0.000 1.078 228 I HN 0.636 nan 8.210 nan 0.000 0.413 229 Y N -0.442 119.864 120.300 0.010 0.000 3.183 229 Y HA 0.259 4.810 4.550 0.002 0.000 0.200 229 Y C 0.702 176.686 175.900 0.139 0.000 0.912 229 Y CA -0.319 57.832 58.100 0.085 0.000 1.642 229 Y CB -0.015 38.541 38.460 0.161 0.000 1.447 229 Y HN -0.135 nan 8.280 nan 0.000 0.421 230 V N -1.094 119.058 119.914 0.396 0.000 3.113 230 V HA 0.506 4.627 4.120 0.002 0.000 0.316 230 V C -0.688 175.544 176.094 0.230 0.000 1.125 230 V CA -1.207 61.269 62.300 0.294 0.000 1.026 230 V CB 1.758 33.769 31.823 0.312 0.000 1.080 230 V HN 0.300 nan 8.190 nan 0.000 0.444 231 N N 2.781 121.593 118.700 0.186 0.000 2.430 231 N HA 0.352 5.093 4.740 0.002 0.000 0.265 231 N C -1.624 173.997 175.510 0.186 0.000 1.100 231 N CA -1.763 51.383 53.050 0.161 0.000 0.961 231 N CB 1.681 40.246 38.487 0.130 0.000 1.075 231 N HN 0.610 nan 8.380 nan 0.000 0.478 232 P HA -0.036 nan 4.420 nan 0.000 0.230 232 P C -0.031 177.387 177.300 0.197 0.000 1.158 232 P CA 1.052 64.284 63.100 0.220 0.000 0.769 232 P CB 0.394 32.233 31.700 0.231 0.000 0.807 233 E N -0.150 120.160 120.200 0.183 0.000 2.444 233 E HA 0.339 4.690 4.350 0.002 0.000 0.191 233 E C 0.762 177.458 176.600 0.160 0.000 1.041 233 E CA -0.110 56.413 56.400 0.204 0.000 0.883 233 E CB 0.004 29.855 29.700 0.253 0.000 1.024 233 E HN 0.180 nan 8.360 nan 0.000 0.470 234 G N 2.265 111.149 108.800 0.140 0.000 2.707 234 G HA2 -0.178 3.783 3.960 0.002 0.000 0.686 234 G HA3 -0.178 3.783 3.960 0.002 0.000 0.686 234 G C -2.915 172.036 174.900 0.086 0.000 1.315 234 G CA -1.324 43.836 45.100 0.099 0.000 0.832 234 G HN -0.106 nan 8.290 nan 0.000 0.573 235 P HA 0.164 nan 4.420 nan 0.000 0.263 235 P C 0.475 177.792 177.300 0.029 0.000 1.195 235 P CA 0.479 63.597 63.100 0.030 0.000 0.762 235 P CB 0.183 31.871 31.700 -0.020 0.000 0.799 236 N N 2.901 121.626 118.700 0.041 0.000 2.696 236 N HA -0.235 4.506 4.740 0.002 0.000 0.249 236 N C 0.960 176.518 175.510 0.080 0.000 1.090 236 N CA 1.678 54.759 53.050 0.051 0.000 0.716 236 N CB -1.652 36.849 38.487 0.023 0.000 1.020 236 N HN 0.879 nan 8.380 nan 0.000 0.548 237 G N -0.335 108.530 108.800 0.108 0.000 2.148 237 G HA2 -0.354 3.608 3.960 0.002 0.000 0.254 237 G HA3 -0.354 3.608 3.960 0.002 0.000 0.254 237 G C -0.084 174.926 174.900 0.183 0.000 0.981 237 G CA 0.342 45.547 45.100 0.175 0.000 0.670 237 G HN 0.633 nan 8.290 nan 0.000 0.528 238 N N 1.088 119.830 118.700 0.069 0.000 2.439 238 N HA 0.367 5.109 4.740 0.002 0.000 0.243 238 N C -1.735 173.725 175.510 -0.085 0.000 1.088 238 N CA -2.195 50.835 53.050 -0.033 0.000 0.940 238 N CB 1.218 39.691 38.487 -0.024 0.000 1.180 238 N HN 0.133 nan 8.380 nan 0.000 0.505 239 P HA 0.046 nan 4.420 nan 0.000 0.249 239 P C -0.612 176.666 177.300 -0.037 0.000 1.686 239 P CA -0.071 62.934 63.100 -0.158 0.000 0.873 239 P CB -0.361 31.071 31.700 -0.446 0.000 1.828 240 D N 1.533 121.915 120.400 -0.031 0.000 2.365 240 D HA 0.126 4.767 4.640 0.002 0.000 0.237 240 D C -1.543 174.766 176.300 0.015 0.000 1.190 240 D CA -2.300 51.695 54.000 -0.008 0.000 0.867 240 D CB 1.245 42.028 40.800 -0.029 0.000 1.050 240 D HN 0.009 nan 8.370 nan 0.000 0.491 241 P HA -0.133 nan 4.420 nan 0.000 0.217 241 P C 1.442 178.742 177.300 -0.001 0.000 1.150 241 P CA 0.800 63.890 63.100 -0.017 0.000 0.832 241 P CB 0.164 31.797 31.700 -0.112 0.000 0.787 242 M N -0.095 119.499 119.600 -0.010 0.000 2.099 242 M HA -0.055 4.426 4.480 0.002 0.000 0.262 242 M C 1.962 178.264 176.300 0.002 0.000 1.067 242 M CA 1.889 57.185 55.300 -0.007 0.000 1.124 242 M CB -1.258 31.332 32.600 -0.017 0.000 1.353 242 M HN -0.139 nan 8.290 nan 0.000 0.410 243 A N -0.342 122.479 122.820 0.001 0.000 1.898 243 A HA 0.081 4.403 4.320 0.002 0.000 0.216 243 A C 2.365 179.965 177.584 0.026 0.000 1.181 243 A CA 1.855 53.894 52.037 0.003 0.000 0.620 243 A CB -1.435 17.558 19.000 -0.010 0.000 0.819 243 A HN 0.626 nan 8.150 nan 0.000 0.442 244 A N 0.049 122.894 122.820 0.043 0.000 1.917 244 A HA 0.071 4.392 4.320 0.002 0.000 0.219 244 A C 2.474 180.121 177.584 0.105 0.000 1.182 244 A CA 2.236 54.320 52.037 0.078 0.000 0.633 244 A CB -1.012 18.039 19.000 0.086 0.000 0.819 244 A HN 1.127 nan 8.150 nan 0.000 0.448 245 A N -0.645 122.236 122.820 0.103 0.000 1.972 245 A HA 0.031 4.352 4.320 0.002 0.000 0.219 245 A C 2.179 179.831 177.584 0.113 0.000 1.169 245 A CA 1.695 53.829 52.037 0.162 0.000 0.635 245 A CB -0.791 18.291 19.000 0.135 0.000 0.810 245 A HN 0.414 nan 8.150 nan 0.000 0.446 246 V N 0.404 120.355 119.914 0.063 0.000 2.343 246 V HA -0.232 3.890 4.120 0.002 0.000 0.247 246 V C 2.130 178.287 176.094 0.106 0.000 1.051 246 V CA 2.292 64.624 62.300 0.053 0.000 1.036 246 V CB -0.778 31.061 31.823 0.028 0.000 0.654 246 V HN 0.466 nan 8.190 nan 0.000 0.451 247 D N 0.018 120.493 120.400 0.125 0.000 2.117 247 D HA -0.065 4.577 4.640 0.002 0.000 0.198 247 D C 2.079 178.518 176.300 0.232 0.000 0.982 247 D CA 1.135 55.243 54.000 0.180 0.000 0.828 247 D CB -0.204 40.698 40.800 0.169 0.000 0.967 247 D HN 0.377 nan 8.370 nan 0.000 0.464 248 I N 0.538 121.242 120.570 0.223 0.000 2.127 248 I HA -0.293 3.878 4.170 0.002 0.000 0.241 248 I C 2.574 178.847 176.117 0.261 0.000 1.075 248 I CA 1.085 62.531 61.300 0.242 0.000 1.334 248 I CB -0.242 37.825 38.000 0.111 0.000 1.040 248 I HN -0.057 nan 8.210 nan 0.000 0.405 249 R N 0.959 121.598 120.500 0.233 0.000 2.096 249 R HA -0.284 4.057 4.340 0.002 0.000 0.240 249 R C 2.264 178.682 176.300 0.197 0.000 1.139 249 R CA 2.312 58.530 56.100 0.198 0.000 0.952 249 R CB -0.207 30.137 30.300 0.072 0.000 0.854 249 R HN 0.266 nan 8.270 nan 0.000 0.436 250 E N -0.310 120.001 120.200 0.185 0.000 2.046 250 E HA -0.128 4.223 4.350 0.002 0.000 0.190 250 E C 1.866 178.583 176.600 0.194 0.000 0.982 250 E CA 2.233 58.736 56.400 0.172 0.000 0.800 250 E CB -0.238 29.561 29.700 0.166 0.000 0.756 250 E HN 0.548 nan 8.360 nan 0.000 0.449 251 T N -1.693 113.006 114.554 0.241 0.000 2.777 251 T HA -0.124 4.228 4.350 0.002 0.000 0.266 251 T C 1.852 176.640 174.700 0.146 0.000 1.040 251 T CA 1.205 63.448 62.100 0.239 0.000 1.141 251 T CB -0.755 68.313 68.868 0.334 0.000 0.868 251 T HN 0.105 nan 8.240 nan 0.000 0.444 252 F N 1.864 121.778 119.950 -0.059 0.000 2.171 252 F HA 0.162 4.690 4.527 0.002 0.000 0.300 252 F C 2.896 178.704 175.800 0.012 0.000 1.090 252 F CA 0.906 58.822 58.000 -0.140 0.000 1.293 252 F CB -0.442 38.457 39.000 -0.167 0.000 1.013 252 F HN 0.067 nan 8.300 nan 0.000 0.486 253 R N 0.722 121.358 120.500 0.226 0.000 2.091 253 R HA -0.155 4.187 4.340 0.002 0.000 0.238 253 R C 2.000 178.382 176.300 0.136 0.000 1.136 253 R CA 1.522 57.720 56.100 0.164 0.000 0.959 253 R CB -0.216 30.168 30.300 0.140 0.000 0.856 253 R HN 0.195 nan 8.270 nan 0.000 0.437 254 R N -0.414 120.163 120.500 0.127 0.000 2.323 254 R HA 0.051 4.392 4.340 0.002 0.000 0.198 254 R C 0.875 177.232 176.300 0.095 0.000 0.988 254 R CA 0.499 56.659 56.100 0.099 0.000 1.041 254 R CB 0.204 30.557 30.300 0.088 0.000 0.926 254 R HN 0.324 nan 8.270 nan 0.000 0.476 255 M N -0.647 119.033 119.600 0.134 0.000 2.596 255 M HA 0.265 4.746 4.480 0.002 0.000 0.364 255 M C 0.214 176.652 176.300 0.230 0.000 1.158 255 M CA -0.162 55.268 55.300 0.216 0.000 0.940 255 M CB 1.362 34.105 32.600 0.238 0.000 1.388 255 M HN 0.118 nan 8.290 nan 0.000 0.522 256 A N 0.358 123.286 122.820 0.181 0.000 2.952 256 A HA -0.145 4.176 4.320 0.002 0.000 0.252 256 A C 0.053 177.693 177.584 0.092 0.000 1.323 256 A CA 0.867 52.990 52.037 0.142 0.000 0.957 256 A CB -1.470 17.624 19.000 0.157 0.000 1.130 256 A HN 0.482 nan 8.150 nan 0.000 0.799 257 M N 1.491 121.171 119.600 0.133 0.000 2.205 257 M HA 0.303 4.784 4.480 0.002 0.000 0.344 257 M C 0.675 177.075 176.300 0.167 0.000 1.085 257 M CA -0.515 54.877 55.300 0.153 0.000 1.001 257 M CB 0.878 33.632 32.600 0.257 0.000 1.626 257 M HN 0.649 nan 8.290 nan 0.000 0.442 258 N N 1.795 120.578 118.700 0.138 0.000 2.374 258 N HA 0.189 4.930 4.740 0.002 0.000 0.284 258 N C -0.150 175.447 175.510 0.144 0.000 1.280 258 N CA -0.798 52.332 53.050 0.132 0.000 0.963 258 N CB 1.113 39.669 38.487 0.116 0.000 1.141 258 N HN 0.419 nan 8.380 nan 0.000 0.565 259 D N -0.089 120.394 120.400 0.138 0.000 2.117 259 D HA -0.099 4.542 4.640 0.002 0.000 0.197 259 D C 2.025 178.437 176.300 0.186 0.000 0.987 259 D CA 0.956 55.075 54.000 0.198 0.000 0.829 259 D CB -0.201 40.665 40.800 0.110 0.000 0.961 259 D HN 0.277 nan 8.370 nan 0.000 0.460 260 V N 1.352 121.358 119.914 0.153 0.000 2.307 260 V HA -0.208 3.913 4.120 0.002 0.000 0.245 260 V C 2.295 178.561 176.094 0.287 0.000 1.045 260 V CA 1.595 64.022 62.300 0.211 0.000 1.024 260 V CB -0.398 31.558 31.823 0.221 0.000 0.651 260 V HN 0.153 nan 8.190 nan 0.000 0.449 261 E N -0.182 120.137 120.200 0.199 0.000 2.051 261 E HA -0.195 4.157 4.350 0.002 0.000 0.192 261 E C 2.282 178.949 176.600 0.111 0.000 0.991 261 E CA 1.885 58.387 56.400 0.169 0.000 0.799 261 E CB -0.323 29.456 29.700 0.132 0.000 0.748 261 E HN 0.568 nan 8.360 nan 0.000 0.449 262 T N 0.893 115.462 114.554 0.025 0.000 2.674 262 T HA -0.187 4.165 4.350 0.002 0.000 0.265 262 T C 2.024 176.479 174.700 -0.408 0.000 1.039 262 T CA 1.337 63.264 62.100 -0.288 0.000 1.150 262 T CB -0.331 68.294 68.868 -0.405 0.000 0.864 262 T HN 0.270 nan 8.240 nan 0.000 0.427 263 A N 1.550 124.218 122.820 -0.254 0.000 1.883 263 A HA 0.083 4.405 4.320 0.002 0.000 0.217 263 A C 2.664 180.290 177.584 0.070 0.000 1.186 263 A CA 2.029 53.957 52.037 -0.183 0.000 0.624 263 A CB -1.221 17.747 19.000 -0.054 0.000 0.822 263 A HN 0.517 nan 8.150 nan 0.000 0.444 264 A N -0.337 122.641 122.820 0.263 0.000 1.883 264 A HA -0.080 4.241 4.320 0.002 0.000 0.217 264 A C 2.206 179.726 177.584 -0.107 0.000 1.186 264 A CA 1.594 53.648 52.037 0.028 0.000 0.624 264 A CB -0.652 18.412 19.000 0.107 0.000 0.822 264 A HN 0.482 nan 8.150 nan 0.000 0.444 265 L N -0.673 120.544 121.223 -0.009 0.000 2.017 265 L HA -0.198 4.143 4.340 0.002 0.000 0.208 265 L C 2.536 179.138 176.870 -0.447 0.000 1.073 265 L CA 1.460 56.287 54.840 -0.022 0.000 0.745 265 L CB -0.513 41.577 42.059 0.052 0.000 0.894 265 L HN 0.398 nan 8.230 nan 0.000 0.432 266 I N -1.136 119.090 120.570 -0.573 0.000 2.202 266 I HA -0.250 3.921 4.170 0.002 0.000 0.242 266 I C 2.449 177.923 176.117 -1.072 0.000 1.091 266 I CA 1.013 61.814 61.300 -0.831 0.000 1.368 266 I CB -0.346 37.231 38.000 -0.704 0.000 1.058 266 I HN -0.003 nan 8.210 nan 0.000 0.410 267 V N 1.194 120.556 119.914 -0.921 0.000 2.295 267 V HA -0.234 3.887 4.120 0.002 0.000 0.246 267 V C 2.629 178.027 176.094 -1.160 0.000 1.049 267 V CA 2.283 63.873 62.300 -1.184 0.000 1.024 267 V CB -1.544 29.954 31.823 -0.542 0.000 0.648 267 V HN 0.586 nan 8.190 nan 0.000 0.447 268 G N -0.084 108.012 108.800 -1.174 0.000 2.440 268 G HA2 -0.167 3.795 3.960 0.002 0.000 0.218 268 G HA3 -0.167 3.795 3.960 0.002 0.000 0.218 268 G C 1.612 175.864 174.900 -1.081 0.000 1.154 268 G CA 1.027 45.106 45.100 -1.701 0.000 0.767 268 G HN 0.595 nan 8.290 nan 0.000 0.552 269 G N -0.264 108.023 108.800 -0.856 0.000 2.404 269 G HA2 -0.143 3.818 3.960 0.002 0.000 0.215 269 G HA3 -0.143 3.818 3.960 0.002 0.000 0.215 269 G C 1.472 176.134 174.900 -0.397 0.000 1.174 269 G CA 0.823 45.668 45.100 -0.425 0.000 0.780 269 G HN 0.647 nan 8.290 nan 0.000 0.537 270 H N -0.236 118.282 119.070 -0.921 0.000 2.547 270 H HA 0.094 4.651 4.556 0.002 0.000 0.266 270 H C 2.276 177.136 175.328 -0.780 0.000 0.988 270 H CA 0.281 55.559 56.048 -1.283 0.000 1.147 270 H CB 0.370 28.969 29.762 -1.938 0.000 1.365 270 H HN 0.232 nan 8.280 nan 0.000 0.589 271 T N 0.510 114.672 114.554 -0.653 0.000 2.929 271 T HA -0.095 4.257 4.350 0.002 0.000 0.271 271 T C 0.044 174.319 174.700 -0.708 0.000 1.085 271 T CA 1.030 62.709 62.100 -0.702 0.000 1.125 271 T CB -0.091 68.135 68.868 -1.069 0.000 0.874 271 T HN 0.093 nan 8.240 nan 0.000 0.494 272 F N -0.237 119.641 119.950 -0.121 0.000 2.522 272 F HA 0.581 5.109 4.527 0.002 0.000 0.324 272 F C 1.219 177.102 175.800 0.139 0.000 1.077 272 F CA -0.544 57.443 58.000 -0.020 0.000 0.944 272 F CB 1.390 40.367 39.000 -0.038 0.000 1.175 272 F HN 0.201 nan 8.300 nan 0.000 0.468 273 G N 2.363 111.355 108.800 0.320 0.000 2.552 273 G HA2 -0.101 3.861 3.960 0.002 0.000 0.265 273 G HA3 -0.101 3.861 3.960 0.002 0.000 0.265 273 G C -0.975 174.160 174.900 0.391 0.000 1.234 273 G CA 0.145 45.454 45.100 0.347 0.000 0.944 273 G HN 1.095 nan 8.290 nan 0.000 0.568 274 K N -1.930 118.659 120.400 0.314 0.000 2.615 274 K HA 0.681 5.003 4.320 0.002 0.000 0.291 274 K C -0.119 176.323 176.600 -0.264 0.000 1.017 274 K CA -0.160 56.047 56.287 -0.132 0.000 0.882 274 K CB 1.018 33.414 32.500 -0.174 0.000 1.522 274 K HN 1.403 nan 8.250 nan 0.000 0.412 275 T N -1.314 112.919 114.554 -0.536 0.000 2.862 275 T HA 0.440 4.791 4.350 0.002 0.000 0.276 275 T C -0.637 173.723 174.700 -0.568 0.000 0.974 275 T CA -0.347 61.556 62.100 -0.328 0.000 0.966 275 T CB 0.483 69.190 68.868 -0.267 0.000 1.072 275 T HN 0.650 nan 8.240 nan 0.000 0.538 276 H N -1.183 117.882 119.070 -0.008 0.000 3.013 276 H HA 0.606 5.164 4.556 0.002 0.000 0.326 276 H C 0.277 175.594 175.328 -0.019 0.000 0.973 276 H CA -0.599 55.452 56.048 0.005 0.000 1.369 276 H CB 1.552 31.356 29.762 0.070 0.000 1.598 276 H HN 1.063 nan 8.280 nan 0.000 0.518 277 G N 1.299 110.112 108.800 0.022 0.000 4.677 277 G HA2 0.396 4.357 3.960 0.002 0.000 0.225 277 G HA3 0.396 4.357 3.960 0.002 0.000 0.225 277 G C 0.768 175.614 174.900 -0.090 0.000 0.876 277 G CA 0.105 45.182 45.100 -0.038 0.000 0.652 277 G HN 0.719 nan 8.290 nan 0.000 0.481 278 A N -0.335 122.446 122.820 -0.064 0.000 2.066 278 A HA 0.598 4.919 4.320 0.002 0.000 0.218 278 A C 1.428 178.797 177.584 -0.358 0.000 1.157 278 A CA 1.523 53.520 52.037 -0.065 0.000 0.670 278 A CB 0.117 19.193 19.000 0.127 0.000 0.804 278 A HN 1.270 nan 8.150 nan 0.000 0.453 279 G N -1.669 106.714 108.800 -0.695 0.000 2.788 279 G HA2 0.534 4.496 3.960 0.002 0.000 0.293 279 G HA3 0.534 4.496 3.960 0.002 0.000 0.293 279 G C -3.345 171.209 174.900 -0.577 0.000 1.392 279 G CA -1.179 43.190 45.100 -1.219 0.000 0.810 279 G HN -0.062 nan 8.290 nan 0.000 0.508 280 P HA 0.256 nan 4.420 nan 0.000 0.271 280 P C 0.641 177.867 177.300 -0.124 0.000 1.216 280 P CA 0.314 63.297 63.100 -0.195 0.000 0.771 280 P CB 1.588 33.220 31.700 -0.114 0.000 0.864 281 A N 3.566 126.338 122.820 -0.080 0.000 2.119 281 A HA -0.154 4.167 4.320 0.002 0.000 0.217 281 A C 1.493 179.085 177.584 0.012 0.000 1.153 281 A CA 1.406 53.426 52.037 -0.029 0.000 0.692 281 A CB -0.952 18.033 19.000 -0.025 0.000 0.799 281 A HN 0.585 nan 8.150 nan 0.000 0.458 282 D N -0.052 120.351 120.400 0.006 0.000 2.363 282 D HA -0.056 4.585 4.640 0.002 0.000 0.220 282 D C 1.201 177.529 176.300 0.046 0.000 0.994 282 D CA 0.388 54.405 54.000 0.028 0.000 0.890 282 D CB -0.494 40.317 40.800 0.018 0.000 0.906 282 D HN 0.469 nan 8.370 nan 0.000 0.530 283 L N 0.249 121.503 121.223 0.052 0.000 2.591 283 L HA 0.163 4.504 4.340 0.002 0.000 0.228 283 L C 0.151 177.086 176.870 0.108 0.000 1.133 283 L CA -0.156 54.735 54.840 0.086 0.000 0.880 283 L CB 0.425 42.559 42.059 0.124 0.000 1.033 283 L HN -0.121 nan 8.230 nan 0.000 0.450 284 V N 0.394 120.373 119.914 0.108 0.000 2.432 284 V HA 0.397 4.518 4.120 0.002 0.000 0.275 284 V C 1.018 177.200 176.094 0.146 0.000 1.043 284 V CA -0.602 61.789 62.300 0.152 0.000 0.925 284 V CB 0.986 32.913 31.823 0.173 0.000 0.985 284 V HN 0.239 nan 8.190 nan 0.000 0.466 285 G N 5.934 114.813 108.800 0.132 0.000 2.611 285 G HA2 0.391 4.352 3.960 0.002 0.000 0.273 285 G HA3 0.391 4.352 3.960 0.002 0.000 0.273 285 G C -2.382 172.530 174.900 0.019 0.000 1.305 285 G CA -0.971 44.169 45.100 0.066 0.000 1.010 285 G HN 0.602 nan 8.290 nan 0.000 0.509 286 P HA 0.075 nan 4.420 nan 0.000 0.267 286 P C 0.277 177.331 177.300 -0.411 0.000 1.200 286 P CA -0.102 62.910 63.100 -0.146 0.000 0.772 286 P CB 0.616 32.249 31.700 -0.111 0.000 0.855 287 E N 4.160 124.009 120.200 -0.585 0.000 2.422 287 E HA -0.029 4.323 4.350 0.002 0.000 0.260 287 E C -1.921 174.188 176.600 -0.817 0.000 1.108 287 E CA -1.223 54.469 56.400 -1.180 0.000 0.943 287 E CB -0.810 28.430 29.700 -0.765 0.000 0.961 287 E HN 0.208 nan 8.360 nan 0.000 0.443 288 P HA -0.205 nan 4.420 nan 0.000 0.216 288 P C 1.020 178.133 177.300 -0.311 0.000 1.157 288 P CA 1.590 64.375 63.100 -0.526 0.000 0.880 288 P CB 0.155 31.573 31.700 -0.470 0.000 0.791 289 E N -1.253 118.796 120.200 -0.253 0.000 2.338 289 E HA -0.045 4.306 4.350 0.002 0.000 0.197 289 E C 1.676 178.217 176.600 -0.099 0.000 1.007 289 E CA 1.046 57.370 56.400 -0.128 0.000 0.849 289 E CB -0.431 29.237 29.700 -0.054 0.000 0.774 289 E HN 0.224 nan 8.360 nan 0.000 0.506 290 A N 0.281 123.022 122.820 -0.132 0.000 2.390 290 A HA 0.464 4.785 4.320 0.002 0.000 0.232 290 A C 1.107 178.626 177.584 -0.109 0.000 1.233 290 A CA 0.313 52.296 52.037 -0.090 0.000 0.907 290 A CB 0.279 19.245 19.000 -0.057 0.000 0.967 290 A HN 0.126 nan 8.150 nan 0.000 0.512 291 A N 1.003 123.730 122.820 -0.154 0.000 2.304 291 A HA 0.610 4.931 4.320 0.002 0.000 0.271 291 A C -2.342 175.182 177.584 -0.101 0.000 1.091 291 A CA -1.216 50.737 52.037 -0.140 0.000 0.812 291 A CB -0.398 18.489 19.000 -0.188 0.000 1.056 291 A HN 0.222 nan 8.150 nan 0.000 0.489 292 P HA 0.171 nan 4.420 nan 0.000 0.269 292 P C 0.754 178.011 177.300 -0.072 0.000 1.215 292 P CA -0.312 62.749 63.100 -0.064 0.000 0.780 292 P CB 0.356 32.026 31.700 -0.051 0.000 0.898 293 L N 1.148 122.333 121.223 -0.063 0.000 2.079 293 L HA -0.212 4.129 4.340 0.002 0.000 0.210 293 L C 2.246 179.073 176.870 -0.071 0.000 1.081 293 L CA 1.553 56.353 54.840 -0.066 0.000 0.752 293 L CB -0.820 41.206 42.059 -0.055 0.000 0.896 293 L HN 0.546 nan 8.230 nan 0.000 0.433 294 E N 0.240 120.403 120.200 -0.062 0.000 2.409 294 E HA -0.253 4.098 4.350 0.002 0.000 0.198 294 E C 1.579 178.134 176.600 -0.074 0.000 1.024 294 E CA 0.952 57.316 56.400 -0.061 0.000 0.861 294 E CB -0.292 29.381 29.700 -0.045 0.000 0.788 294 E HN 0.640 nan 8.360 nan 0.000 0.521 295 Q N -0.017 119.733 119.800 -0.083 0.000 2.451 295 Q HA 0.128 4.470 4.340 0.002 0.000 0.206 295 Q C 0.161 176.083 176.000 -0.131 0.000 0.947 295 Q CA 0.018 55.762 55.803 -0.098 0.000 0.937 295 Q CB 0.019 28.700 28.738 -0.095 0.000 1.025 295 Q HN 0.181 nan 8.270 nan 0.000 0.511 296 M N -0.417 119.106 119.600 -0.128 0.000 2.249 296 M HA -0.259 4.223 4.480 0.002 0.000 0.198 296 M C 0.719 176.916 176.300 -0.172 0.000 0.394 296 M CA 1.251 56.463 55.300 -0.147 0.000 0.427 296 M CB -2.500 30.004 32.600 -0.160 0.000 1.307 296 M HN 0.595 nan 8.290 nan 0.000 0.924 297 G N -0.878 107.824 108.800 -0.163 0.000 2.217 297 G HA2 -0.263 3.698 3.960 0.002 0.000 0.246 297 G HA3 -0.263 3.698 3.960 0.002 0.000 0.246 297 G C 0.113 174.895 174.900 -0.197 0.000 0.990 297 G CA 0.312 45.305 45.100 -0.180 0.000 0.627 297 G HN 0.510 nan 8.290 nan 0.000 0.522 298 L N 0.562 121.674 121.223 -0.186 0.000 2.399 298 L HA 0.713 5.054 4.340 0.002 0.000 0.266 298 L C 1.126 177.878 176.870 -0.196 0.000 1.114 298 L CA -0.062 54.676 54.840 -0.170 0.000 0.804 298 L CB 1.361 43.336 42.059 -0.140 0.000 1.146 298 L HN 0.295 nan 8.230 nan 0.000 0.451 299 G N -1.196 107.472 108.800 -0.219 0.000 3.086 299 G HA2 0.389 4.350 3.960 0.002 0.000 0.282 299 G HA3 0.389 4.350 3.960 0.002 0.000 0.282 299 G C -1.079 173.765 174.900 -0.092 0.000 1.343 299 G CA -0.505 44.382 45.100 -0.354 0.000 0.895 299 G HN 0.744 nan 8.290 nan 0.000 0.557 300 W N 0.060 121.326 121.300 -0.056 0.000 5.950 300 W HA -0.166 4.495 4.660 0.002 0.000 0.383 300 W C 0.688 177.216 176.519 0.015 0.000 1.418 300 W CA 0.889 58.217 57.345 -0.028 0.000 0.994 300 W CB -1.135 28.297 29.460 -0.046 0.000 2.552 300 W HN 0.525 nan 8.180 nan 0.000 1.551 301 K N 1.591 122.079 120.400 0.146 0.000 2.416 301 K HA 0.216 4.538 4.320 0.002 0.000 0.283 301 K C 0.570 177.264 176.600 0.158 0.000 1.037 301 K CA 0.358 56.731 56.287 0.143 0.000 0.995 301 K CB 0.689 33.236 32.500 0.078 0.000 0.938 301 K HN -0.023 nan 8.250 nan 0.000 0.475 302 S N 2.201 118.015 115.700 0.190 0.000 2.475 302 S HA 0.173 4.644 4.470 0.002 0.000 0.298 302 S C 0.551 175.241 174.600 0.149 0.000 1.119 302 S CA -0.676 57.633 58.200 0.182 0.000 1.085 302 S CB 1.262 64.597 63.200 0.224 0.000 1.028 302 S HN 0.672 nan 8.310 nan 0.000 0.489 303 S N 3.562 119.343 115.700 0.135 0.000 2.556 303 S HA 0.140 4.612 4.470 0.002 0.000 0.216 303 S C 0.039 174.707 174.600 0.113 0.000 0.970 303 S CA -0.327 57.934 58.200 0.100 0.000 0.912 303 S CB -0.414 62.832 63.200 0.076 0.000 0.790 303 S HN 0.754 nan 8.310 nan 0.000 0.504 304 Y N 3.855 124.176 120.300 0.035 0.000 2.531 304 Y HA 0.443 4.995 4.550 0.002 0.000 0.347 304 Y C 1.274 177.178 175.900 0.007 0.000 1.024 304 Y CA 0.507 58.618 58.100 0.019 0.000 1.306 304 Y CB -0.423 38.049 38.460 0.021 0.000 1.149 304 Y HN 0.458 nan 8.280 nan 0.000 0.527 305 G N 4.088 112.590 108.800 -0.498 0.000 2.651 305 G HA2 -0.476 3.485 3.960 0.002 0.000 0.315 305 G HA3 -0.476 3.485 3.960 0.002 0.000 0.315 305 G C 1.107 175.900 174.900 -0.179 0.000 1.258 305 G CA 1.174 46.031 45.100 -0.405 0.000 1.002 305 G HN 1.214 nan 8.290 nan 0.000 0.551 306 T N -1.020 113.441 114.554 -0.154 0.000 3.035 306 T HA 0.353 4.704 4.350 0.002 0.000 0.268 306 T C 2.719 177.414 174.700 -0.009 0.000 1.109 306 T CA 1.861 63.911 62.100 -0.082 0.000 1.119 306 T CB -0.222 68.573 68.868 -0.121 0.000 0.900 306 T HN 2.773 nan 8.240 nan 0.000 0.503 307 G N 1.178 109.994 108.800 0.026 0.000 2.184 307 G HA2 -0.256 3.705 3.960 0.002 0.000 0.264 307 G HA3 -0.256 3.705 3.960 0.002 0.000 0.264 307 G C 0.370 175.361 174.900 0.151 0.000 0.975 307 G CA 1.044 46.224 45.100 0.132 0.000 0.642 307 G HN 1.345 nan 8.290 nan 0.000 0.536 308 T N -4.199 110.344 114.554 -0.018 0.000 2.778 308 T HA 0.844 5.195 4.350 0.002 0.000 0.293 308 T C 1.562 176.004 174.700 -0.430 0.000 1.144 308 T CA 0.805 62.741 62.100 -0.275 0.000 1.010 308 T CB 1.624 70.397 68.868 -0.159 0.000 1.325 308 T HN 2.091 nan 8.240 nan 0.000 0.515 309 G N 2.073 110.470 108.800 -0.673 0.000 2.634 309 G HA2 -0.440 3.521 3.960 0.002 0.000 0.318 309 G HA3 -0.440 3.521 3.960 0.002 0.000 0.318 309 G C 0.963 175.598 174.900 -0.441 0.000 1.207 309 G CA 1.457 46.139 45.100 -0.697 0.000 0.987 309 G HN 1.443 nan 8.290 nan 0.000 0.547 310 K N 0.151 120.149 120.400 -0.671 0.000 2.280 310 K HA 0.016 4.337 4.320 0.002 0.000 0.202 310 K C 1.183 177.752 176.600 -0.053 0.000 1.047 310 K CA 2.042 58.199 56.287 -0.217 0.000 0.942 310 K CB 0.009 32.363 32.500 -0.243 0.000 0.739 310 K HN 0.395 nan 8.250 nan 0.000 0.457 311 D N 1.097 121.450 120.400 -0.078 0.000 2.369 311 D HA 0.143 4.784 4.640 0.002 0.000 0.211 311 D C -0.040 176.354 176.300 0.157 0.000 1.077 311 D CA 0.072 54.138 54.000 0.108 0.000 0.842 311 D CB 0.513 41.324 40.800 0.017 0.000 0.947 311 D HN 0.345 nan 8.370 nan 0.000 0.509 312 A N 1.367 124.205 122.820 0.030 0.000 2.567 312 A HA 0.254 4.575 4.320 0.002 0.000 0.240 312 A C 0.228 177.907 177.584 0.159 0.000 1.053 312 A CA 0.119 52.181 52.037 0.040 0.000 0.755 312 A CB -0.207 18.708 19.000 -0.142 0.000 0.978 312 A HN 0.291 nan 8.150 nan 0.000 0.507 313 I N 1.394 122.071 120.570 0.178 0.000 2.498 313 I HA 0.686 4.857 4.170 0.002 0.000 0.290 313 I C 0.249 176.443 176.117 0.129 0.000 1.032 313 I CA 0.095 61.473 61.300 0.130 0.000 1.073 313 I CB 2.258 40.276 38.000 0.030 0.000 1.251 313 I HN 0.500 nan 8.210 nan 0.000 0.426 314 T N 2.756 117.372 114.554 0.104 0.000 3.429 314 T HA 0.062 4.413 4.350 0.002 0.000 0.212 314 T C 1.324 175.995 174.700 -0.048 0.000 0.980 314 T CA 0.899 63.000 62.100 0.002 0.000 1.201 314 T CB -0.291 68.622 68.868 0.075 0.000 1.289 314 T HN 0.707 nan 8.240 nan 0.000 0.346 315 S N 0.676 116.393 115.700 0.028 0.000 2.446 315 S HA 0.349 4.821 4.470 0.002 0.000 0.225 315 S C 1.961 176.561 174.600 0.000 0.000 1.016 315 S CA 1.085 59.296 58.200 0.018 0.000 0.943 315 S CB -0.220 63.025 63.200 0.075 0.000 0.786 315 S HN 1.070 nan 8.310 nan 0.000 0.508 316 G N 0.851 109.649 108.800 -0.005 0.000 2.195 316 G HA2 -0.204 3.757 3.960 0.002 0.000 0.246 316 G HA3 -0.204 3.757 3.960 0.002 0.000 0.246 316 G C 0.007 174.876 174.900 -0.051 0.000 0.984 316 G CA 0.119 45.196 45.100 -0.037 0.000 0.633 316 G HN 0.564 nan 8.290 nan 0.000 0.525 317 I N 0.540 121.090 120.570 -0.034 0.000 2.488 317 I HA 0.558 4.729 4.170 0.002 0.000 0.299 317 I C 0.247 176.299 176.117 -0.109 0.000 0.984 317 I CA -0.677 60.585 61.300 -0.062 0.000 1.250 317 I CB 1.718 39.697 38.000 -0.034 0.000 1.389 317 I HN 0.046 nan 8.210 nan 0.000 0.488 318 E N 5.117 125.233 120.200 -0.141 0.000 2.795 318 E HA 0.421 4.772 4.350 0.002 0.000 0.226 318 E C -1.685 174.772 176.600 -0.238 0.000 1.088 318 E CA -0.238 56.055 56.400 -0.178 0.000 0.812 318 E CB 0.858 30.482 29.700 -0.127 0.000 1.328 318 E HN 0.290 nan 8.360 nan 0.000 0.410 319 V N 3.648 123.334 119.914 -0.381 0.000 2.588 319 V HA 0.492 4.613 4.120 0.002 0.000 0.304 319 V C -0.677 174.993 176.094 -0.705 0.000 1.042 319 V CA -0.913 61.060 62.300 -0.544 0.000 0.877 319 V CB 2.152 33.543 31.823 -0.719 0.000 0.996 319 V HN 0.342 nan 8.190 nan 0.000 0.425 320 V N 4.332 123.948 119.914 -0.497 0.000 2.349 320 V HA 0.265 4.386 4.120 0.002 0.000 0.284 320 V C 0.588 176.546 176.094 -0.227 0.000 1.014 320 V CA -0.498 61.594 62.300 -0.347 0.000 0.826 320 V CB 1.342 33.100 31.823 -0.107 0.000 1.009 320 V HN 0.981 nan 8.190 nan 0.000 0.431 321 W N 2.464 123.742 121.300 -0.036 0.000 2.388 321 W HA -0.040 4.621 4.660 0.002 0.000 0.294 321 W C 1.156 177.664 176.519 -0.018 0.000 1.212 321 W CA 1.299 58.637 57.345 -0.013 0.000 1.271 321 W CB -0.206 29.330 29.460 0.126 0.000 1.126 321 W HN 0.639 nan 8.180 nan 0.000 0.535 322 T N -2.509 112.168 114.554 0.204 0.000 2.916 322 T HA 0.254 4.605 4.350 0.002 0.000 0.292 322 T C 0.426 175.117 174.700 -0.015 0.000 1.064 322 T CA -0.547 61.594 62.100 0.069 0.000 1.011 322 T CB 1.749 70.617 68.868 -0.000 0.000 1.152 322 T HN 0.149 nan 8.240 nan 0.000 0.510 323 N N -0.368 118.313 118.700 -0.033 0.000 2.461 323 N HA 0.051 4.792 4.740 0.002 0.000 0.188 323 N C 0.458 175.902 175.510 -0.110 0.000 1.134 323 N CA 0.147 53.164 53.050 -0.055 0.000 0.878 323 N CB 0.081 38.554 38.487 -0.023 0.000 0.972 323 N HN 0.759 nan 8.380 nan 0.000 0.456 324 T N -3.221 111.246 114.554 -0.144 0.000 3.504 324 T HA 0.386 4.737 4.350 0.002 0.000 0.286 324 T C -2.438 172.121 174.700 -0.235 0.000 1.530 324 T CA -1.790 60.201 62.100 -0.182 0.000 1.652 324 T CB 1.354 70.133 68.868 -0.149 0.000 0.895 324 T HN -0.167 nan 8.240 nan 0.000 0.674 325 P HA -0.015 nan 4.420 nan 0.000 0.225 325 P C 1.239 178.459 177.300 -0.134 0.000 1.148 325 P CA 0.959 63.878 63.100 -0.301 0.000 0.779 325 P CB -0.034 31.247 31.700 -0.697 0.000 0.780 326 T N -4.565 109.894 114.554 -0.159 0.000 3.266 326 T HA 0.313 4.665 4.350 0.002 0.000 0.278 326 T C 0.062 174.792 174.700 0.050 0.000 1.010 326 T CA -0.496 61.569 62.100 -0.058 0.000 0.909 326 T CB -0.223 68.548 68.868 -0.160 0.000 1.122 326 T HN -0.044 nan 8.240 nan 0.000 0.536 327 K N 0.563 121.008 120.400 0.074 0.000 2.501 327 K HA 0.317 4.638 4.320 0.002 0.000 0.252 327 K C -1.413 175.192 176.600 0.009 0.000 0.934 327 K CA -0.927 55.423 56.287 0.105 0.000 0.797 327 K CB 1.745 34.250 32.500 0.007 0.000 1.270 327 K HN 0.349 nan 8.250 nan 0.000 0.431 328 W N 6.445 127.771 121.300 0.045 0.000 2.304 328 W HA 0.144 4.805 4.660 0.002 0.000 0.313 328 W C -0.984 175.489 176.519 -0.077 0.000 1.323 328 W CA 0.777 58.077 57.345 -0.075 0.000 1.223 328 W CB 0.501 30.105 29.460 0.240 0.000 1.237 328 W HN 0.945 nan 8.180 nan 0.000 0.535 329 D N 1.904 121.758 120.400 -0.911 0.000 2.992 329 D HA 0.029 4.670 4.640 0.002 0.000 0.349 329 D C -0.780 175.039 176.300 -0.801 0.000 1.393 329 D CA -0.666 52.931 54.000 -0.673 0.000 0.887 329 D CB 0.133 40.752 40.800 -0.301 0.000 1.447 329 D HN 0.381 nan 8.370 nan 0.000 0.524 330 N N -0.891 117.552 118.700 -0.429 0.000 2.276 330 N HA 0.038 4.779 4.740 0.002 0.000 0.212 330 N C 0.778 176.178 175.510 -0.184 0.000 1.127 330 N CA 0.372 53.234 53.050 -0.313 0.000 0.834 330 N CB 0.210 38.599 38.487 -0.163 0.000 1.014 330 N HN 0.406 nan 8.380 nan 0.000 0.491 331 S N -0.052 115.527 115.700 -0.202 0.000 2.399 331 S HA -0.169 4.303 4.470 0.002 0.000 0.231 331 S C 1.659 176.249 174.600 -0.016 0.000 1.022 331 S CA 0.414 58.558 58.200 -0.094 0.000 0.983 331 S CB -0.582 62.556 63.200 -0.104 0.000 0.803 331 S HN 0.429 nan 8.310 nan 0.000 0.480 332 F N 2.414 122.253 119.950 -0.185 0.000 2.069 332 F HA 0.004 4.533 4.527 0.002 0.000 0.298 332 F C 2.006 177.798 175.800 -0.012 0.000 1.113 332 F CA 1.534 59.465 58.000 -0.115 0.000 1.214 332 F CB -0.320 38.532 39.000 -0.245 0.000 0.978 332 F HN 0.130 nan 8.300 nan 0.000 0.474 333 L N -0.069 121.253 121.223 0.165 0.000 2.156 333 L HA -0.149 4.192 4.340 0.002 0.000 0.208 333 L C 2.329 179.309 176.870 0.184 0.000 1.095 333 L CA 1.308 56.273 54.840 0.208 0.000 0.770 333 L CB -0.710 41.529 42.059 0.300 0.000 0.914 333 L HN 0.217 nan 8.230 nan 0.000 0.439 334 E N 0.355 120.606 120.200 0.086 0.000 2.077 334 E HA -0.210 4.141 4.350 0.002 0.000 0.193 334 E C 2.246 178.894 176.600 0.080 0.000 0.989 334 E CA 1.194 57.630 56.400 0.060 0.000 0.800 334 E CB -0.042 29.660 29.700 0.004 0.000 0.746 334 E HN 0.488 nan 8.360 nan 0.000 0.452 335 I N 0.620 121.252 120.570 0.103 0.000 2.233 335 I HA -0.225 3.947 4.170 0.002 0.000 0.243 335 I C 2.430 178.781 176.117 0.390 0.000 1.093 335 I CA 0.374 61.838 61.300 0.274 0.000 1.380 335 I CB -0.122 38.027 38.000 0.248 0.000 1.067 335 I HN 0.110 nan 8.210 nan 0.000 0.413 336 L N 0.274 121.552 121.223 0.092 0.000 2.013 336 L HA -0.275 4.066 4.340 0.002 0.000 0.212 336 L C 2.166 179.108 176.870 0.121 0.000 1.073 336 L CA 2.195 57.038 54.840 0.004 0.000 0.753 336 L CB -0.736 41.022 42.059 -0.502 0.000 0.890 336 L HN 0.201 nan 8.230 nan 0.000 0.432 337 Y N -1.183 119.193 120.300 0.126 0.000 2.503 337 Y HA 0.222 4.773 4.550 0.002 0.000 0.278 337 Y C 2.337 178.224 175.900 -0.021 0.000 1.111 337 Y CA 0.683 58.824 58.100 0.067 0.000 1.270 337 Y CB -0.448 38.022 38.460 0.017 0.000 1.063 337 Y HN 0.212 nan 8.280 nan 0.000 0.548 338 G N -1.704 107.119 108.800 0.038 0.000 2.712 338 G HA2 -0.020 3.941 3.960 0.002 0.000 0.212 338 G HA3 -0.020 3.941 3.960 0.002 0.000 0.212 338 G C -0.246 174.296 174.900 -0.596 0.000 1.142 338 G CA 0.314 45.248 45.100 -0.276 0.000 0.789 338 G HN 0.228 nan 8.290 nan 0.000 0.535 339 Y N -0.658 119.497 120.300 -0.241 0.000 2.602 339 Y HA 0.549 5.100 4.550 0.002 0.000 0.342 339 Y C -0.061 175.413 175.900 -0.710 0.000 1.029 339 Y CA -1.311 56.452 58.100 -0.561 0.000 1.080 339 Y CB 1.530 39.408 38.460 -0.971 0.000 1.284 339 Y HN -0.192 nan 8.280 nan 0.000 0.485 340 E N 0.729 120.649 120.200 -0.466 0.000 2.248 340 E HA 0.224 4.576 4.350 0.002 0.000 0.272 340 E C -1.628 174.623 176.600 -0.581 0.000 1.008 340 E CA -0.550 55.611 56.400 -0.399 0.000 0.856 340 E CB 1.292 30.900 29.700 -0.153 0.000 1.120 340 E HN 0.560 nan 8.360 nan 0.000 0.397 341 W N 1.276 122.584 121.300 0.014 0.000 2.702 341 W HA 0.299 4.960 4.660 0.002 0.000 0.331 341 W C 0.282 176.890 176.519 0.149 0.000 1.049 341 W CA -0.671 56.704 57.345 0.049 0.000 1.230 341 W CB 1.218 30.637 29.460 -0.069 0.000 1.408 341 W HN 0.337 nan 8.180 nan 0.000 0.492 342 E N 1.963 122.430 120.200 0.446 0.000 2.288 342 E HA 0.577 4.928 4.350 0.002 0.000 0.268 342 E C -1.437 175.327 176.600 0.273 0.000 0.885 342 E CA -1.241 55.360 56.400 0.335 0.000 0.767 342 E CB 2.204 31.996 29.700 0.154 0.000 1.220 342 E HN 0.292 nan 8.360 nan 0.000 0.427 343 L N 1.976 123.227 121.223 0.046 0.000 2.453 343 L HA 0.288 4.630 4.340 0.002 0.000 0.272 343 L C -0.030 176.825 176.870 -0.024 0.000 1.182 343 L CA 1.038 55.706 54.840 -0.286 0.000 0.858 343 L CB 1.063 42.918 42.059 -0.340 0.000 1.120 343 L HN 0.855 nan 8.230 nan 0.000 0.474 344 T N 3.832 118.389 114.554 0.004 0.000 2.696 344 T HA 0.571 4.922 4.350 0.002 0.000 0.291 344 T C -1.273 173.472 174.700 0.074 0.000 1.095 344 T CA -0.786 61.354 62.100 0.067 0.000 1.026 344 T CB 1.130 70.014 68.868 0.027 0.000 1.390 344 T HN 0.456 nan 8.240 nan 0.000 0.513 345 K N 1.715 122.096 120.400 -0.031 0.000 2.371 345 K HA 0.509 4.830 4.320 0.002 0.000 0.251 345 K C -0.125 176.407 176.600 -0.113 0.000 0.934 345 K CA -0.594 55.611 56.287 -0.136 0.000 0.798 345 K CB 1.943 34.290 32.500 -0.256 0.000 1.204 345 K HN 0.845 nan 8.250 nan 0.000 0.427 346 S N 1.227 116.852 115.700 -0.126 0.000 2.608 346 S HA 0.224 4.695 4.470 0.002 0.000 0.261 346 S C -1.688 172.837 174.600 -0.125 0.000 1.314 346 S CA -0.776 57.356 58.200 -0.113 0.000 0.992 346 S CB 0.600 63.733 63.200 -0.111 0.000 0.935 346 S HN 0.287 nan 8.310 nan 0.000 0.564 347 P HA -0.014 nan 4.420 nan 0.000 0.218 347 P C 0.962 178.167 177.300 -0.159 0.000 1.146 347 P CA 1.657 64.680 63.100 -0.127 0.000 0.813 347 P CB -0.185 31.437 31.700 -0.130 0.000 0.778 348 A N -1.401 121.322 122.820 -0.162 0.000 2.275 348 A HA 0.484 4.806 4.320 0.002 0.000 0.212 348 A C 1.543 179.034 177.584 -0.156 0.000 1.201 348 A CA 0.607 52.549 52.037 -0.159 0.000 0.843 348 A CB -0.984 17.931 19.000 -0.141 0.000 0.873 348 A HN 0.227 nan 8.150 nan 0.000 0.492 349 G N -1.742 106.949 108.800 -0.182 0.000 2.132 349 G HA2 0.120 4.081 3.960 0.002 0.000 0.228 349 G HA3 0.120 4.081 3.960 0.002 0.000 0.228 349 G C 0.296 175.006 174.900 -0.316 0.000 1.000 349 G CA 0.258 45.209 45.100 -0.247 0.000 0.693 349 G HN 1.546 nan 8.290 nan 0.000 0.515 350 A N -0.458 122.223 122.820 -0.232 0.000 2.310 350 A HA 0.636 4.957 4.320 0.002 0.000 0.299 350 A C 0.295 177.776 177.584 -0.172 0.000 1.147 350 A CA -0.541 51.380 52.037 -0.192 0.000 0.818 350 A CB 0.447 19.400 19.000 -0.078 0.000 1.096 350 A HN 0.624 nan 8.150 nan 0.000 0.495 351 W N 1.301 122.558 121.300 -0.071 0.000 2.264 351 W HA 0.401 5.063 4.660 0.002 0.000 0.331 351 W C 0.916 177.359 176.519 -0.127 0.000 1.364 351 W CA 0.348 57.622 57.345 -0.118 0.000 1.253 351 W CB 0.503 29.897 29.460 -0.110 0.000 1.215 351 W HN 0.824 nan 8.180 nan 0.000 0.561 352 Q N 1.677 121.532 119.800 0.091 0.000 2.630 352 Q HA 0.480 4.821 4.340 0.002 0.000 0.295 352 Q C -1.945 173.971 176.000 -0.139 0.000 0.944 352 Q CA -1.242 54.561 55.803 -0.001 0.000 0.766 352 Q CB 1.761 30.494 28.738 -0.008 0.000 1.471 352 Q HN 0.479 nan 8.270 nan 0.000 0.416 353 Y N -0.102 120.213 120.300 0.025 0.000 2.446 353 Y HA 0.690 5.241 4.550 0.002 0.000 0.338 353 Y C 0.000 176.003 175.900 0.171 0.000 1.055 353 Y CA -0.330 57.820 58.100 0.084 0.000 1.101 353 Y CB 2.723 41.187 38.460 0.006 0.000 1.221 353 Y HN 0.730 nan 8.280 nan 0.000 0.460 354 T N 1.388 116.205 114.554 0.438 0.000 2.903 354 T HA 0.733 5.084 4.350 0.002 0.000 0.299 354 T C -0.930 173.932 174.700 0.269 0.000 1.093 354 T CA -0.698 61.610 62.100 0.347 0.000 1.002 354 T CB 0.702 69.642 68.868 0.120 0.000 1.127 354 T HN 0.827 nan 8.240 nan 0.000 0.488 355 A N 3.721 126.493 122.820 -0.081 0.000 2.546 355 A HA 0.357 4.678 4.320 0.002 0.000 0.243 355 A C 0.463 177.924 177.584 -0.206 0.000 1.063 355 A CA 0.247 51.996 52.037 -0.480 0.000 0.757 355 A CB -0.146 18.401 19.000 -0.755 0.000 0.991 355 A HN 0.839 nan 8.150 nan 0.000 0.503 356 K N 1.239 121.529 120.400 -0.184 0.000 2.276 356 K HA 0.165 4.486 4.320 0.002 0.000 0.259 356 K C -0.264 176.296 176.600 -0.068 0.000 1.001 356 K CA 0.097 56.336 56.287 -0.079 0.000 0.927 356 K CB 0.231 32.694 32.500 -0.062 0.000 0.969 356 K HN 0.754 nan 8.250 nan 0.000 0.490 357 D N 0.311 120.688 120.400 -0.039 0.000 2.945 357 D HA -0.171 4.471 4.640 0.002 0.000 0.225 357 D C 0.663 176.944 176.300 -0.031 0.000 1.158 357 D CA 1.419 55.401 54.000 -0.030 0.000 0.805 357 D CB -1.537 39.246 40.800 -0.028 0.000 1.098 357 D HN 1.016 nan 8.370 nan 0.000 0.426 358 G N -0.759 108.016 108.800 -0.041 0.000 2.187 358 G HA2 -0.165 3.796 3.960 0.002 0.000 0.261 358 G HA3 -0.165 3.796 3.960 0.002 0.000 0.261 358 G C 0.559 175.432 174.900 -0.045 0.000 1.000 358 G CA 0.985 46.059 45.100 -0.043 0.000 0.718 358 G HN 1.291 nan 8.290 nan 0.000 0.519 359 A N -0.417 122.377 122.820 -0.043 0.000 2.498 359 A HA 0.662 4.983 4.320 0.002 0.000 0.239 359 A C 1.982 179.546 177.584 -0.034 0.000 1.068 359 A CA 1.435 53.486 52.037 0.023 0.000 0.766 359 A CB 0.017 19.093 19.000 0.127 0.000 1.003 359 A HN 2.339 nan 8.150 nan 0.000 0.497 360 G N 0.534 109.379 108.800 0.075 0.000 2.179 360 G HA2 0.141 4.103 3.960 0.002 0.000 0.257 360 G HA3 0.141 4.103 3.960 0.002 0.000 0.257 360 G C 0.598 175.457 174.900 -0.067 0.000 1.010 360 G CA 0.498 45.606 45.100 0.014 0.000 0.736 360 G HN 2.255 nan 8.290 nan 0.000 0.513 361 A N -0.431 122.360 122.820 -0.048 0.000 2.567 361 A HA 0.598 4.920 4.320 0.002 0.000 0.240 361 A C 2.130 179.696 177.584 -0.029 0.000 1.053 361 A CA 1.769 53.779 52.037 -0.045 0.000 0.755 361 A CB -0.161 18.820 19.000 -0.031 0.000 0.978 361 A HN 2.396 nan 8.150 nan 0.000 0.507 362 G N 1.671 110.453 108.800 -0.030 0.000 2.175 362 G HA2 -0.330 3.632 3.960 0.002 0.000 0.265 362 G HA3 -0.330 3.632 3.960 0.002 0.000 0.265 362 G C 0.960 175.853 174.900 -0.011 0.000 0.979 362 G CA 1.676 46.765 45.100 -0.018 0.000 0.663 362 G HN 2.060 nan 8.290 nan 0.000 0.533 363 T N -2.040 112.505 114.554 -0.015 0.000 3.067 363 T HA 0.453 4.805 4.350 0.002 0.000 0.261 363 T C 1.029 175.726 174.700 -0.004 0.000 1.110 363 T CA 0.660 62.759 62.100 -0.002 0.000 1.113 363 T CB 0.312 69.192 68.868 0.019 0.000 0.917 363 T HN 0.336 nan 8.240 nan 0.000 0.499 364 I N 3.994 124.556 120.570 -0.013 0.000 2.321 364 I HA 0.413 4.584 4.170 0.002 0.000 0.291 364 I C -2.490 173.639 176.117 0.020 0.000 0.998 364 I CA -3.455 57.841 61.300 -0.007 0.000 1.227 364 I CB 0.966 38.953 38.000 -0.022 0.000 1.368 364 I HN 0.020 nan 8.210 nan 0.000 0.466 365 P HA 0.135 nan 4.420 nan 0.000 0.275 365 P C -0.673 176.751 177.300 0.207 0.000 1.228 365 P CA -0.205 62.965 63.100 0.117 0.000 0.786 365 P CB 1.130 32.908 31.700 0.130 0.000 0.927 366 D N 2.686 123.149 120.400 0.105 0.000 2.255 366 D HA 0.151 4.792 4.640 0.002 0.000 0.249 366 D C -1.094 175.031 176.300 -0.292 0.000 1.078 366 D CA -2.185 51.803 54.000 -0.020 0.000 0.896 366 D CB 0.763 41.550 40.800 -0.022 0.000 1.194 366 D HN 0.175 nan 8.370 nan 0.000 0.429 367 P HA -0.070 nan 4.420 nan 0.000 0.225 367 P C -0.023 176.447 177.300 -1.384 0.000 1.148 367 P CA 0.989 63.101 63.100 -1.645 0.000 0.779 367 P CB 0.078 31.018 31.700 -1.267 0.000 0.780 368 F N -1.365 118.386 119.950 -0.331 0.000 2.810 368 F HA 0.480 5.008 4.527 0.002 0.000 0.353 368 F C 1.368 177.092 175.800 -0.127 0.000 1.227 368 F CA -0.020 57.856 58.000 -0.208 0.000 1.210 368 F CB 0.323 39.211 39.000 -0.187 0.000 1.039 368 F HN -0.040 nan 8.300 nan 0.000 0.509 369 G N 0.382 109.169 108.800 -0.023 0.000 2.143 369 G HA2 -0.202 3.759 3.960 0.002 0.000 0.249 369 G HA3 -0.202 3.759 3.960 0.002 0.000 0.249 369 G C 0.792 175.699 174.900 0.012 0.000 0.981 369 G CA -0.162 44.940 45.100 0.003 0.000 0.665 369 G HN 0.790 nan 8.290 nan 0.000 0.528 370 G N 0.123 108.931 108.800 0.014 0.000 2.570 370 G HA2 0.564 4.525 3.960 0.002 0.000 0.276 370 G HA3 0.564 4.525 3.960 0.002 0.000 0.276 370 G C -1.390 173.513 174.900 0.005 0.000 1.346 370 G CA -0.283 44.823 45.100 0.010 0.000 1.034 370 G HN 0.308 nan 8.290 nan 0.000 0.512 371 P HA 0.252 nan 4.420 nan 0.000 0.269 371 P C 0.645 177.945 177.300 0.000 0.000 1.215 371 P CA 0.016 63.115 63.100 -0.001 0.000 0.780 371 P CB 0.385 32.083 31.700 -0.005 0.000 0.898 372 G N 1.991 110.791 108.800 0.001 0.000 2.664 372 G HA2 0.321 4.282 3.960 0.002 0.000 0.242 372 G HA3 0.321 4.282 3.960 0.002 0.000 0.242 372 G C -0.124 174.770 174.900 -0.010 0.000 1.225 372 G CA -0.503 44.598 45.100 0.001 0.000 0.849 372 G HN 0.645 nan 8.290 nan 0.000 0.581 373 R N -0.863 119.628 120.500 -0.016 0.000 2.905 373 R HA 0.655 4.997 4.340 0.002 0.000 0.260 373 R C -0.659 175.611 176.300 -0.050 0.000 1.086 373 R CA -0.803 55.278 56.100 -0.031 0.000 0.978 373 R CB 0.829 31.109 30.300 -0.034 0.000 1.215 373 R HN 0.382 nan 8.270 nan 0.000 0.480 374 S N 1.267 116.928 115.700 -0.065 0.000 2.632 374 S HA 0.376 4.847 4.470 0.002 0.000 0.271 374 S C -2.331 172.201 174.600 -0.114 0.000 1.260 374 S CA -1.061 57.076 58.200 -0.104 0.000 1.010 374 S CB 1.001 64.142 63.200 -0.097 0.000 0.965 374 S HN 0.415 nan 8.310 nan 0.000 0.534 375 P HA 0.193 nan 4.420 nan 0.000 0.268 375 P C -0.569 176.795 177.300 0.108 0.000 1.204 375 P CA -0.087 62.942 63.100 -0.119 0.000 0.768 375 P CB 0.334 31.753 31.700 -0.469 0.000 0.842 376 T N 0.094 114.714 114.554 0.110 0.000 2.896 376 T HA 0.819 5.171 4.350 0.002 0.000 0.297 376 T C -0.631 173.962 174.700 -0.178 0.000 1.108 376 T CA -0.838 61.293 62.100 0.051 0.000 1.004 376 T CB 1.211 70.025 68.868 -0.090 0.000 1.159 376 T HN 0.121 nan 8.240 nan 0.000 0.499 377 M N 1.542 120.979 119.600 -0.271 0.000 2.575 377 M HA 0.481 4.962 4.480 0.002 0.000 0.284 377 M C -1.451 174.810 176.300 -0.065 0.000 1.253 377 M CA -0.876 54.243 55.300 -0.302 0.000 0.861 377 M CB 2.126 34.221 32.600 -0.842 0.000 1.733 377 M HN 0.547 nan 8.290 nan 0.000 0.462 378 L N 0.979 122.263 121.223 0.102 0.000 2.439 378 L HA 0.439 4.781 4.340 0.002 0.000 0.261 378 L C 1.547 178.532 176.870 0.191 0.000 1.153 378 L CA 0.531 55.482 54.840 0.185 0.000 0.808 378 L CB 0.367 42.599 42.059 0.289 0.000 1.126 378 L HN 0.976 nan 8.230 nan 0.000 0.460 379 A N 0.943 123.934 122.820 0.285 0.000 1.978 379 A HA -0.189 4.133 4.320 0.002 0.000 0.220 379 A C 1.906 179.549 177.584 0.098 0.000 1.170 379 A CA 2.197 54.401 52.037 0.279 0.000 0.636 379 A CB -0.950 18.229 19.000 0.299 0.000 0.810 379 A HN 0.894 nan 8.150 nan 0.000 0.448 380 T N -2.608 112.029 114.554 0.137 0.000 2.985 380 T HA -0.070 4.282 4.350 0.002 0.000 0.266 380 T C 1.243 175.981 174.700 0.063 0.000 1.076 380 T CA 1.134 63.301 62.100 0.111 0.000 1.135 380 T CB -0.272 68.699 68.868 0.171 0.000 0.890 380 T HN 0.388 nan 8.240 nan 0.000 0.480 381 D N 1.383 121.843 120.400 0.099 0.000 2.117 381 D HA 0.024 4.665 4.640 0.002 0.000 0.198 381 D C 1.931 178.161 176.300 -0.116 0.000 0.982 381 D CA 0.622 54.672 54.000 0.084 0.000 0.828 381 D CB -0.263 40.652 40.800 0.191 0.000 0.967 381 D HN 0.259 nan 8.370 nan 0.000 0.464 382 L N 1.108 122.183 121.223 -0.245 0.000 2.191 382 L HA -0.110 4.231 4.340 0.002 0.000 0.212 382 L C 2.380 179.131 176.870 -0.197 0.000 1.103 382 L CA 1.004 55.626 54.840 -0.364 0.000 0.769 382 L CB -0.507 41.206 42.059 -0.577 0.000 0.908 382 L HN -0.118 nan 8.230 nan 0.000 0.438 383 S N -0.518 115.127 115.700 -0.092 0.000 2.402 383 S HA -0.198 4.274 4.470 0.002 0.000 0.233 383 S C 1.915 176.563 174.600 0.079 0.000 1.030 383 S CA 1.231 59.440 58.200 0.015 0.000 1.003 383 S CB -0.409 62.835 63.200 0.072 0.000 0.813 383 S HN 0.397 nan 8.310 nan 0.000 0.477 384 L N 0.974 122.190 121.223 -0.012 0.000 2.275 384 L HA -0.074 4.267 4.340 0.002 0.000 0.215 384 L C 2.511 179.409 176.870 0.047 0.000 1.119 384 L CA 1.194 56.037 54.840 0.005 0.000 0.790 384 L CB -0.360 41.672 42.059 -0.045 0.000 0.919 384 L HN 0.428 nan 8.230 nan 0.000 0.443 385 R N -1.871 118.583 120.500 -0.077 0.000 2.307 385 R HA 0.104 4.445 4.340 0.002 0.000 0.200 385 R C 1.622 177.911 176.300 -0.019 0.000 0.893 385 R CA 0.112 56.160 56.100 -0.086 0.000 1.042 385 R CB -0.122 29.886 30.300 -0.486 0.000 1.059 385 R HN -0.011 nan 8.270 nan 0.000 0.530 386 V N 1.545 121.438 119.914 -0.036 0.000 2.426 386 V HA -0.092 4.029 4.120 0.002 0.000 0.242 386 V C 0.944 177.038 176.094 -0.000 0.000 1.036 386 V CA 1.132 63.417 62.300 -0.025 0.000 1.044 386 V CB -0.248 31.541 31.823 -0.057 0.000 0.688 386 V HN 0.375 nan 8.190 nan 0.000 0.462 387 D N 1.266 121.680 120.400 0.023 0.000 2.417 387 D HA 0.013 4.654 4.640 0.002 0.000 0.250 387 D C -1.466 174.813 176.300 -0.035 0.000 1.166 387 D CA -1.386 52.602 54.000 -0.021 0.000 0.881 387 D CB 1.966 42.739 40.800 -0.045 0.000 1.164 387 D HN 0.110 nan 8.370 nan 0.000 0.467 388 P HA -0.153 nan 4.420 nan 0.000 0.215 388 P C 1.809 179.067 177.300 -0.070 0.000 1.153 388 P CA 0.982 64.052 63.100 -0.050 0.000 0.853 388 P CB 0.368 32.034 31.700 -0.056 0.000 0.788 389 I N -1.985 118.498 120.570 -0.144 0.000 2.202 389 I HA -0.247 3.924 4.170 0.002 0.000 0.242 389 I C 2.629 178.689 176.117 -0.095 0.000 1.091 389 I CA 1.414 62.615 61.300 -0.165 0.000 1.368 389 I CB -0.860 36.983 38.000 -0.261 0.000 1.058 389 I HN -0.155 nan 8.210 nan 0.000 0.410 390 Y N 0.767 121.021 120.300 -0.077 0.000 2.224 390 Y HA -0.202 4.350 4.550 0.002 0.000 0.289 390 Y C 2.584 178.439 175.900 -0.074 0.000 1.146 390 Y CA 0.781 58.824 58.100 -0.095 0.000 1.182 390 Y CB -0.805 37.608 38.460 -0.078 0.000 0.983 390 Y HN 0.222 nan 8.280 nan 0.000 0.524 391 E N 0.632 120.904 120.200 0.121 0.000 2.077 391 E HA -0.214 4.138 4.350 0.002 0.000 0.193 391 E C 2.181 178.804 176.600 0.038 0.000 0.989 391 E CA 1.075 57.552 56.400 0.128 0.000 0.800 391 E CB 0.013 29.780 29.700 0.111 0.000 0.746 391 E HN 0.467 nan 8.360 nan 0.000 0.452 392 R N -0.023 120.460 120.500 -0.029 0.000 2.081 392 R HA -0.091 4.251 4.340 0.002 0.000 0.235 392 R C 2.557 178.749 176.300 -0.180 0.000 1.131 392 R CA 1.295 57.343 56.100 -0.086 0.000 0.960 392 R CB -0.274 29.978 30.300 -0.079 0.000 0.856 392 R HN 0.253 nan 8.270 nan 0.000 0.436 393 I N 0.336 120.762 120.570 -0.240 0.000 2.202 393 I HA -0.236 3.935 4.170 0.002 0.000 0.242 393 I C 2.585 178.233 176.117 -0.781 0.000 1.091 393 I CA 1.715 62.688 61.300 -0.546 0.000 1.368 393 I CB -0.528 37.157 38.000 -0.524 0.000 1.058 393 I HN 0.306 nan 8.210 nan 0.000 0.410 394 T N -1.739 112.595 114.554 -0.366 0.000 2.942 394 T HA -0.070 4.281 4.350 0.002 0.000 0.265 394 T C 2.038 176.720 174.700 -0.030 0.000 1.062 394 T CA 0.491 62.542 62.100 -0.083 0.000 1.139 394 T CB -0.260 68.741 68.868 0.222 0.000 0.883 394 T HN 0.202 nan 8.240 nan 0.000 0.468 395 R N 0.606 121.008 120.500 -0.163 0.000 2.092 395 R HA 0.061 4.403 4.340 0.002 0.000 0.231 395 R C 2.755 178.948 176.300 -0.178 0.000 1.119 395 R CA 1.150 57.034 56.100 -0.359 0.000 0.970 395 R CB -0.174 29.930 30.300 -0.327 0.000 0.864 395 R HN 0.299 nan 8.270 nan 0.000 0.440 396 R N 0.151 120.571 120.500 -0.134 0.000 2.083 396 R HA -0.174 4.167 4.340 0.002 0.000 0.237 396 R C 1.608 178.018 176.300 0.184 0.000 1.137 396 R CA 1.831 57.922 56.100 -0.015 0.000 0.951 396 R CB -0.598 29.625 30.300 -0.129 0.000 0.851 396 R HN 0.257 nan 8.270 nan 0.000 0.434 397 W N 0.346 121.685 121.300 0.064 0.000 2.465 397 W HA -0.009 4.653 4.660 0.003 0.000 0.268 397 W C 1.778 178.314 176.519 0.027 0.000 1.242 397 W CA 0.166 57.558 57.345 0.078 0.000 1.248 397 W CB -1.038 28.468 29.460 0.076 0.000 1.118 397 W HN 0.227 nan 8.180 nan 0.000 0.587 398 L N 1.116 122.442 121.223 0.170 0.000 2.043 398 L HA -0.197 4.145 4.340 0.002 0.000 0.212 398 L C 1.850 178.716 176.870 -0.006 0.000 1.075 398 L CA 2.143 57.002 54.840 0.031 0.000 0.752 398 L CB -0.696 41.267 42.059 -0.161 0.000 0.891 398 L HN -0.039 nan 8.230 nan 0.000 0.432 399 E N -2.346 117.845 120.200 -0.015 0.000 2.415 399 E HA 0.064 4.416 4.350 0.002 0.000 0.197 399 E C -0.008 176.380 176.600 -0.353 0.000 1.007 399 E CA 0.130 56.435 56.400 -0.158 0.000 0.890 399 E CB 0.221 29.823 29.700 -0.164 0.000 0.891 399 E HN 0.530 nan 8.360 nan 0.000 0.496 400 H N 0.496 119.636 119.070 0.117 0.000 2.336 400 H HA 0.137 4.694 4.556 0.002 0.000 0.230 400 H C -1.935 173.496 175.328 0.172 0.000 1.426 400 H CA -1.608 54.527 56.048 0.145 0.000 1.359 400 H CB 0.955 30.817 29.762 0.168 0.000 1.555 400 H HN 0.102 nan 8.280 nan 0.000 0.512 401 P HA -0.167 nan 4.420 nan 0.000 0.222 401 P C 1.496 178.877 177.300 0.136 0.000 1.147 401 P CA 0.952 64.119 63.100 0.112 0.000 0.790 401 P CB 0.456 32.188 31.700 0.054 0.000 0.780 402 E N 1.413 121.710 120.200 0.162 0.000 2.204 402 E HA -0.200 4.152 4.350 0.002 0.000 0.194 402 E C 1.513 178.189 176.600 0.127 0.000 0.989 402 E CA 1.223 57.717 56.400 0.156 0.000 0.824 402 E CB -0.779 29.008 29.700 0.144 0.000 0.756 402 E HN 0.344 nan 8.360 nan 0.000 0.477 403 E N 0.457 120.740 120.200 0.139 0.000 2.112 403 E HA -0.079 4.272 4.350 0.002 0.000 0.190 403 E C 2.182 178.667 176.600 -0.190 0.000 0.979 403 E CA 0.754 57.225 56.400 0.119 0.000 0.814 403 E CB -0.163 29.738 29.700 0.334 0.000 0.762 403 E HN 0.168 nan 8.360 nan 0.000 0.460 404 L N 1.313 122.180 121.223 -0.593 0.000 2.012 404 L HA -0.173 4.168 4.340 0.002 0.000 0.210 404 L C 2.237 178.971 176.870 -0.226 0.000 1.073 404 L CA 2.242 56.471 54.840 -1.018 0.000 0.748 404 L CB -0.699 40.920 42.059 -0.734 0.000 0.891 404 L HN 0.031 nan 8.230 nan 0.000 0.431 405 A N -0.673 122.235 122.820 0.146 0.000 1.908 405 A HA -0.300 4.022 4.320 0.002 0.000 0.218 405 A C 2.090 179.817 177.584 0.238 0.000 1.181 405 A CA 1.998 54.263 52.037 0.381 0.000 0.627 405 A CB -1.174 18.047 19.000 0.368 0.000 0.818 405 A HN 0.646 nan 8.150 nan 0.000 0.445 406 D N -0.693 119.776 120.400 0.116 0.000 2.084 406 D HA -0.162 4.479 4.640 0.002 0.000 0.194 406 D C 1.892 178.254 176.300 0.103 0.000 0.990 406 D CA 1.620 55.679 54.000 0.098 0.000 0.826 406 D CB -0.089 40.765 40.800 0.090 0.000 0.971 406 D HN 0.374 nan 8.370 nan 0.000 0.453 407 E N -0.564 119.675 120.200 0.066 0.000 2.106 407 E HA -0.137 4.214 4.350 0.002 0.000 0.192 407 E C 1.982 178.666 176.600 0.139 0.000 0.984 407 E CA 0.381 56.838 56.400 0.095 0.000 0.806 407 E CB -0.558 29.216 29.700 0.123 0.000 0.750 407 E HN 0.399 nan 8.360 nan 0.000 0.458 408 F N 1.732 121.648 119.950 -0.056 0.000 2.146 408 F HA -0.081 4.447 4.527 0.002 0.000 0.298 408 F C 2.190 178.095 175.800 0.176 0.000 1.096 408 F CA 1.107 59.096 58.000 -0.019 0.000 1.275 408 F CB -0.533 38.354 39.000 -0.189 0.000 1.008 408 F HN -0.036 nan 8.300 nan 0.000 0.480 409 A N 0.538 123.475 122.820 0.195 0.000 1.883 409 A HA -0.221 4.100 4.320 0.002 0.000 0.217 409 A C 2.337 179.988 177.584 0.112 0.000 1.186 409 A CA 1.972 54.119 52.037 0.183 0.000 0.624 409 A CB -0.703 18.392 19.000 0.158 0.000 0.822 409 A HN 0.439 nan 8.150 nan 0.000 0.444 410 K N -0.498 119.911 120.400 0.015 0.000 2.026 410 K HA -0.053 4.268 4.320 0.002 0.000 0.208 410 K C 2.349 178.976 176.600 0.045 0.000 1.048 410 K CA 1.158 57.389 56.287 -0.095 0.000 0.929 410 K CB -0.335 32.114 32.500 -0.085 0.000 0.713 410 K HN 0.438 nan 8.250 nan 0.000 0.439 411 A N 1.475 124.340 122.820 0.076 0.000 1.930 411 A HA -0.178 4.143 4.320 0.002 0.000 0.217 411 A C 1.913 179.536 177.584 0.065 0.000 1.175 411 A CA 0.977 53.057 52.037 0.071 0.000 0.627 411 A CB -0.850 18.240 19.000 0.150 0.000 0.815 411 A HN 0.619 nan 8.150 nan 0.000 0.443 412 W N -0.604 120.607 121.300 -0.148 0.000 2.381 412 W HA -0.236 4.425 4.660 0.002 0.000 0.301 412 W C 1.964 178.504 176.519 0.035 0.000 1.205 412 W CA 1.901 59.147 57.345 -0.166 0.000 1.285 412 W CB -0.551 28.597 29.460 -0.520 0.000 1.133 412 W HN 0.487 nan 8.180 nan 0.000 0.521 413 Y N 2.005 122.371 120.300 0.109 0.000 2.128 413 Y HA -0.304 4.248 4.550 0.002 0.000 0.284 413 Y C 2.849 178.808 175.900 0.098 0.000 1.154 413 Y CA 3.240 61.460 58.100 0.200 0.000 1.149 413 Y CB -0.855 37.760 38.460 0.258 0.000 0.976 413 Y HN -0.082 nan 8.280 nan 0.000 0.505 414 K N -0.124 120.224 120.400 -0.088 0.000 2.032 414 K HA -0.251 4.070 4.320 0.002 0.000 0.209 414 K C 2.150 178.343 176.600 -0.678 0.000 1.048 414 K CA 1.770 57.608 56.287 -0.748 0.000 0.927 414 K CB -0.603 31.374 32.500 -0.872 0.000 0.712 414 K HN 0.399 nan 8.250 nan 0.000 0.441 415 L N 1.301 122.263 121.223 -0.436 0.000 1.990 415 L HA -0.195 4.146 4.340 0.002 0.000 0.213 415 L C 1.930 178.502 176.870 -0.496 0.000 1.072 415 L CA 1.688 56.298 54.840 -0.383 0.000 0.755 415 L CB -0.353 41.549 42.059 -0.262 0.000 0.889 415 L HN 0.246 nan 8.230 nan 0.000 0.432 416 I N -0.909 119.282 120.570 -0.633 0.000 3.291 416 I HA -0.123 4.049 4.170 0.002 0.000 0.279 416 I C 1.182 176.766 176.117 -0.888 0.000 1.294 416 I CA 1.042 61.898 61.300 -0.741 0.000 1.428 416 I CB -1.544 35.959 38.000 -0.827 0.000 1.070 416 I HN 0.462 nan 8.210 nan 0.000 0.478 417 H N -1.034 117.706 119.070 -0.549 0.000 3.233 417 H HA 0.205 4.762 4.556 0.002 0.000 0.263 417 H C 1.761 176.892 175.328 -0.328 0.000 1.168 417 H CA -0.137 55.630 56.048 -0.468 0.000 1.159 417 H CB 0.302 29.810 29.762 -0.424 0.000 1.593 417 H HN 0.113 nan 8.280 nan 0.000 0.580 418 R N 0.944 121.171 120.500 -0.455 0.000 2.139 418 R HA -0.121 4.220 4.340 0.002 0.000 0.243 418 R C 0.579 176.633 176.300 -0.411 0.000 1.145 418 R CA 1.773 57.543 56.100 -0.550 0.000 0.976 418 R CB -0.239 29.510 30.300 -0.918 0.000 0.866 418 R HN 0.374 nan 8.270 nan 0.000 0.449 419 D N -0.171 119.987 120.400 -0.403 0.000 2.363 419 D HA 0.020 4.661 4.640 0.002 0.000 0.214 419 D C 1.394 177.608 176.300 -0.143 0.000 1.093 419 D CA 0.085 53.944 54.000 -0.235 0.000 0.837 419 D CB 0.107 40.802 40.800 -0.174 0.000 0.948 419 D HN 0.107 nan 8.370 nan 0.000 0.507 420 M N 0.636 120.153 119.600 -0.138 0.000 2.476 420 M HA 0.144 4.625 4.480 0.002 0.000 0.262 420 M C 1.359 177.603 176.300 -0.094 0.000 1.079 420 M CA 1.017 56.218 55.300 -0.166 0.000 1.104 420 M CB -0.772 31.629 32.600 -0.332 0.000 1.409 420 M HN 0.316 nan 8.290 nan 0.000 0.467 421 G N 0.784 109.582 108.800 -0.002 0.000 2.553 421 G HA2 -0.202 3.759 3.960 0.002 0.000 0.242 421 G HA3 -0.202 3.759 3.960 0.002 0.000 0.242 421 G C -2.633 172.309 174.900 0.070 0.000 1.277 421 G CA -1.031 44.069 45.100 -0.000 0.000 0.910 421 G HN 0.210 nan 8.290 nan 0.000 0.576 422 P HA 0.231 nan 4.420 nan 0.000 0.264 422 P C 1.141 178.474 177.300 0.055 0.000 1.183 422 P CA 0.272 63.411 63.100 0.064 0.000 0.763 422 P CB 0.996 32.792 31.700 0.160 0.000 0.807 423 V N 3.636 123.497 119.914 -0.090 0.000 2.688 423 V HA -0.280 3.842 4.120 0.002 0.000 0.256 423 V C 2.018 178.076 176.094 -0.059 0.000 1.084 423 V CA 2.473 64.578 62.300 -0.325 0.000 1.103 423 V CB -1.245 30.286 31.823 -0.486 0.000 0.688 423 V HN 0.697 nan 8.190 nan 0.000 0.480 424 A N -0.141 122.695 122.820 0.025 0.000 2.076 424 A HA -0.237 4.085 4.320 0.002 0.000 0.220 424 A C 2.261 179.919 177.584 0.123 0.000 1.160 424 A CA 1.803 53.885 52.037 0.076 0.000 0.653 424 A CB -0.511 18.554 19.000 0.108 0.000 0.801 424 A HN 0.614 nan 8.150 nan 0.000 0.455 425 R N -1.907 118.680 120.500 0.145 0.000 2.236 425 R HA 0.027 4.368 4.340 0.002 0.000 0.208 425 R C -0.364 176.033 176.300 0.162 0.000 1.036 425 R CA 0.135 56.294 56.100 0.097 0.000 1.001 425 R CB -0.161 30.083 30.300 -0.093 0.000 0.896 425 R HN 0.644 nan 8.270 nan 0.000 0.464 426 Y N 1.573 121.858 120.300 -0.025 0.000 2.496 426 Y HA 0.146 4.697 4.550 0.002 0.000 0.334 426 Y C 0.482 176.399 175.900 0.029 0.000 1.080 426 Y CA -0.470 57.627 58.100 -0.005 0.000 1.355 426 Y CB 0.488 38.938 38.460 -0.016 0.000 1.193 426 Y HN -0.141 nan 8.280 nan 0.000 0.523 427 L N 2.857 124.187 121.223 0.178 0.000 2.319 427 L HA 0.889 5.231 4.340 0.002 0.000 0.267 427 L C 0.385 177.383 176.870 0.213 0.000 1.011 427 L CA -0.935 53.990 54.840 0.142 0.000 0.818 427 L CB 1.954 44.051 42.059 0.063 0.000 1.316 427 L HN 0.876 nan 8.230 nan 0.000 0.432 428 G N 1.356 110.224 108.800 0.113 0.000 2.603 428 G HA2 -0.098 3.863 3.960 0.002 0.000 0.686 428 G HA3 -0.098 3.863 3.960 0.002 0.000 0.686 428 G C -2.468 172.504 174.900 0.120 0.000 1.286 428 G CA -0.373 44.787 45.100 0.100 0.000 0.871 428 G HN 0.520 nan 8.290 nan 0.000 0.568 429 P HA 0.163 nan 4.420 nan 0.000 0.245 429 P C 1.335 178.707 177.300 0.120 0.000 1.212 429 P CA 0.609 63.757 63.100 0.081 0.000 0.774 429 P CB 0.049 31.778 31.700 0.049 0.000 0.999 430 L N -0.938 120.412 121.223 0.213 0.000 2.728 430 L HA 0.186 4.528 4.340 0.002 0.000 0.238 430 L C 0.451 177.444 176.870 0.203 0.000 1.143 430 L CA -0.297 54.680 54.840 0.228 0.000 0.937 430 L CB 0.319 42.600 42.059 0.370 0.000 1.225 430 L HN -0.310 nan 8.230 nan 0.000 0.507 431 V N 3.104 123.126 119.914 0.180 0.000 2.446 431 V HA 0.123 4.244 4.120 0.002 0.000 0.276 431 V C -1.505 174.596 176.094 0.011 0.000 1.030 431 V CA -1.204 61.187 62.300 0.153 0.000 1.033 431 V CB -0.088 31.833 31.823 0.164 0.000 0.993 431 V HN 0.127 nan 8.190 nan 0.000 0.477 432 P HA 0.227 nan 4.420 nan 0.000 0.272 432 P C 0.330 177.528 177.300 -0.171 0.000 1.230 432 P CA -0.447 62.494 63.100 -0.265 0.000 0.788 432 P CB 1.364 32.669 31.700 -0.657 0.000 0.949 433 K N -0.193 120.105 120.400 -0.170 0.000 2.155 433 K HA -0.070 4.252 4.320 0.002 0.000 0.203 433 K C 1.247 177.791 176.600 -0.093 0.000 1.052 433 K CA 0.680 56.900 56.287 -0.112 0.000 0.948 433 K CB -0.000 32.443 32.500 -0.095 0.000 0.728 433 K HN 0.502 nan 8.250 nan 0.000 0.448 434 Q N 2.011 121.761 119.800 -0.082 0.000 2.255 434 Q HA -0.041 4.300 4.340 0.002 0.000 0.280 434 Q C -0.422 175.565 176.000 -0.021 0.000 1.068 434 Q CA 0.022 55.823 55.803 -0.004 0.000 0.911 434 Q CB 0.716 29.528 28.738 0.123 0.000 1.157 434 Q HN 0.084 nan 8.270 nan 0.000 0.380 435 T N 3.102 117.614 114.554 -0.069 0.000 2.919 435 T HA 0.422 4.773 4.350 0.002 0.000 0.302 435 T C -0.324 174.281 174.700 -0.157 0.000 1.031 435 T CA -0.459 61.558 62.100 -0.137 0.000 1.127 435 T CB 0.360 69.157 68.868 -0.118 0.000 0.952 435 T HN 0.504 nan 8.240 nan 0.000 0.540 436 L N 4.446 125.482 121.223 -0.311 0.000 2.370 436 L HA 0.463 4.804 4.340 0.002 0.000 0.266 436 L C 1.056 177.680 176.870 -0.410 0.000 1.002 436 L CA -1.079 53.527 54.840 -0.390 0.000 0.818 436 L CB 1.778 43.446 42.059 -0.651 0.000 1.325 436 L HN 0.589 nan 8.230 nan 0.000 0.418 437 L N 2.825 123.932 121.223 -0.192 0.000 2.079 437 L HA -0.154 4.187 4.340 0.002 0.000 0.210 437 L C 2.082 178.953 176.870 0.001 0.000 1.081 437 L CA 1.879 56.691 54.840 -0.047 0.000 0.752 437 L CB -0.526 41.571 42.059 0.063 0.000 0.896 437 L HN 0.792 nan 8.230 nan 0.000 0.433 438 W N -0.924 120.407 121.300 0.052 0.000 2.468 438 W HA -0.145 4.516 4.660 0.002 0.000 0.262 438 W C 1.328 177.862 176.519 0.025 0.000 1.241 438 W CA 0.394 57.763 57.345 0.040 0.000 1.232 438 W CB -1.145 28.333 29.460 0.030 0.000 1.124 438 W HN 0.346 nan 8.180 nan 0.000 0.597 439 Q N 1.059 120.611 119.800 -0.412 0.000 2.415 439 Q HA -0.050 4.291 4.340 0.002 0.000 0.206 439 Q C -0.353 175.594 176.000 -0.088 0.000 0.946 439 Q CA 0.435 56.037 55.803 -0.334 0.000 0.951 439 Q CB -0.410 27.939 28.738 -0.649 0.000 1.026 439 Q HN 0.083 nan 8.270 nan 0.000 0.510 440 D N 1.497 121.907 120.400 0.018 0.000 2.802 440 D HA -0.137 4.504 4.640 0.002 0.000 0.229 440 D C -2.388 173.963 176.300 0.085 0.000 1.203 440 D CA 0.539 54.630 54.000 0.151 0.000 0.712 440 D CB -0.748 40.196 40.800 0.240 0.000 0.973 440 D HN 0.311 nan 8.370 nan 0.000 0.407 441 P HA 0.261 nan 4.420 nan 0.000 0.274 441 P C -0.004 177.301 177.300 0.007 0.000 1.237 441 P CA -0.463 62.620 63.100 -0.027 0.000 0.793 441 P CB 1.278 32.934 31.700 -0.073 0.000 0.977 442 V N -1.859 118.054 119.914 -0.000 0.000 2.914 442 V HA 0.621 4.742 4.120 0.002 0.000 0.314 442 V C -2.729 173.362 176.094 -0.006 0.000 1.084 442 V CA -2.946 59.358 62.300 0.008 0.000 0.963 442 V CB 0.841 32.679 31.823 0.025 0.000 1.025 442 V HN 0.307 nan 8.190 nan 0.000 0.432 443 P HA 0.332 nan 4.420 nan 0.000 0.268 443 P C 0.014 177.311 177.300 -0.005 0.000 1.208 443 P CA 0.388 63.484 63.100 -0.006 0.000 0.777 443 P CB 0.297 31.999 31.700 0.003 0.000 0.875 444 A N 2.267 125.080 122.820 -0.011 0.000 2.406 444 A HA 0.201 4.522 4.320 0.002 0.000 0.243 444 A C 0.001 177.585 177.584 0.000 0.000 1.082 444 A CA -0.415 51.616 52.037 -0.010 0.000 0.786 444 A CB -0.074 18.915 19.000 -0.018 0.000 1.029 444 A HN 0.397 nan 8.150 nan 0.000 0.495 445 V N 2.231 122.147 119.914 0.004 0.000 2.485 445 V HA 0.133 4.254 4.120 0.002 0.000 0.287 445 V C 1.381 177.483 176.094 0.013 0.000 1.022 445 V CA 1.179 63.490 62.300 0.018 0.000 1.067 445 V CB 0.643 32.478 31.823 0.020 0.000 0.967 445 V HN 1.119 nan 8.190 nan 0.000 0.479 446 S N 2.501 118.214 115.700 0.021 0.000 2.523 446 S HA 0.260 4.731 4.470 0.002 0.000 0.217 446 S C 0.336 174.906 174.600 -0.050 0.000 0.996 446 S CA -0.183 58.002 58.200 -0.025 0.000 0.921 446 S CB 0.053 63.233 63.200 -0.033 0.000 0.829 446 S HN 0.834 nan 8.310 nan 0.000 0.495 447 H N -0.137 118.948 119.070 0.024 0.000 2.943 447 H HA 0.462 5.019 4.556 0.002 0.000 0.323 447 H C -1.304 174.044 175.328 0.034 0.000 1.296 447 H CA -1.115 54.951 56.048 0.030 0.000 1.155 447 H CB 1.188 30.973 29.762 0.039 0.000 1.882 447 H HN 0.057 nan 8.280 nan 0.000 0.553 448 D N 1.061 121.615 120.400 0.257 0.000 2.443 448 D HA 0.065 4.707 4.640 0.002 0.000 0.239 448 D C -0.441 175.917 176.300 0.098 0.000 1.136 448 D CA -0.019 54.055 54.000 0.123 0.000 0.879 448 D CB 0.675 41.520 40.800 0.075 0.000 1.195 448 D HN 0.096 nan 8.370 nan 0.000 0.443 449 L N 2.089 123.357 121.223 0.076 0.000 2.395 449 L HA 0.137 4.478 4.340 0.002 0.000 0.269 449 L C 0.179 177.098 176.870 0.081 0.000 1.133 449 L CA -0.477 54.404 54.840 0.069 0.000 0.812 449 L CB 1.217 43.297 42.059 0.036 0.000 1.125 449 L HN 0.156 nan 8.230 nan 0.000 0.452 450 V N 3.365 123.336 119.914 0.095 0.000 2.644 450 V HA 0.200 4.322 4.120 0.002 0.000 0.305 450 V C 1.002 177.151 176.094 0.091 0.000 1.053 450 V CA 0.706 63.069 62.300 0.105 0.000 1.186 450 V CB 0.310 32.160 31.823 0.044 0.000 0.895 450 V HN 0.958 nan 8.190 nan 0.000 0.490 451 G N 3.126 111.982 108.800 0.093 0.000 2.642 451 G HA2 0.363 4.324 3.960 0.002 0.000 0.291 451 G HA3 0.363 4.324 3.960 0.002 0.000 0.291 451 G C 0.591 175.536 174.900 0.073 0.000 1.345 451 G CA -0.334 44.809 45.100 0.072 0.000 1.043 451 G HN 0.694 nan 8.290 nan 0.000 0.528 452 E N -0.680 119.555 120.200 0.059 0.000 2.097 452 E HA -0.237 4.114 4.350 0.002 0.000 0.196 452 E C 2.728 179.359 176.600 0.052 0.000 1.000 452 E CA 1.418 57.851 56.400 0.055 0.000 0.804 452 E CB -0.102 29.623 29.700 0.041 0.000 0.740 452 E HN 0.434 nan 8.360 nan 0.000 0.454 453 A N 1.021 123.874 122.820 0.055 0.000 1.897 453 A HA -0.187 4.134 4.320 0.002 0.000 0.215 453 A C 1.904 179.535 177.584 0.078 0.000 1.181 453 A CA 1.410 53.481 52.037 0.057 0.000 0.620 453 A CB -0.271 18.761 19.000 0.053 0.000 0.821 453 A HN 0.069 nan 8.150 nan 0.000 0.443 454 E N 0.058 120.324 120.200 0.110 0.000 2.106 454 E HA -0.053 4.299 4.350 0.002 0.000 0.192 454 E C 1.723 178.337 176.600 0.024 0.000 0.984 454 E CA 0.837 57.335 56.400 0.163 0.000 0.806 454 E CB -0.351 29.520 29.700 0.285 0.000 0.750 454 E HN 0.688 nan 8.360 nan 0.000 0.458 455 I N 0.652 121.229 120.570 0.011 0.000 2.179 455 I HA -0.302 3.870 4.170 0.002 0.000 0.242 455 I C 2.274 178.358 176.117 -0.055 0.000 1.088 455 I CA 1.247 62.523 61.300 -0.041 0.000 1.357 455 I CB -0.292 37.740 38.000 0.054 0.000 1.051 455 I HN 0.113 nan 8.210 nan 0.000 0.409 456 A N -0.560 122.257 122.820 -0.006 0.000 1.933 456 A HA -0.242 4.080 4.320 0.002 0.000 0.218 456 A C 2.472 180.052 177.584 -0.006 0.000 1.175 456 A CA 2.209 54.243 52.037 -0.006 0.000 0.628 456 A CB -0.834 18.175 19.000 0.014 0.000 0.814 456 A HN 0.406 nan 8.150 nan 0.000 0.444 457 S N -0.596 115.116 115.700 0.020 0.000 2.356 457 S HA -0.085 4.387 4.470 0.002 0.000 0.223 457 S C 1.917 176.526 174.600 0.014 0.000 1.032 457 S CA 1.453 59.680 58.200 0.044 0.000 1.005 457 S CB -0.432 62.837 63.200 0.115 0.000 0.867 457 S HN 0.487 nan 8.310 nan 0.000 0.449 458 L N 0.574 121.768 121.223 -0.048 0.000 2.141 458 L HA -0.026 4.315 4.340 0.002 0.000 0.209 458 L C 2.611 179.408 176.870 -0.122 0.000 1.094 458 L CA 1.151 55.916 54.840 -0.125 0.000 0.763 458 L CB -0.308 41.570 42.059 -0.302 0.000 0.908 458 L HN 0.246 nan 8.230 nan 0.000 0.437 459 K N -0.634 119.693 120.400 -0.122 0.000 2.026 459 K HA -0.194 4.127 4.320 0.002 0.000 0.208 459 K C 2.434 178.996 176.600 -0.063 0.000 1.048 459 K CA 1.678 57.901 56.287 -0.108 0.000 0.929 459 K CB -0.262 32.181 32.500 -0.095 0.000 0.713 459 K HN 0.116 nan 8.250 nan 0.000 0.439 460 S N 0.637 116.314 115.700 -0.038 0.000 2.359 460 S HA -0.271 4.200 4.470 0.002 0.000 0.224 460 S C 2.120 176.712 174.600 -0.015 0.000 1.035 460 S CA 1.713 59.902 58.200 -0.019 0.000 1.018 460 S CB -0.191 63.007 63.200 -0.004 0.000 0.876 460 S HN 0.355 nan 8.310 nan 0.000 0.448 461 Q N -0.036 119.757 119.800 -0.010 0.000 2.096 461 Q HA -0.074 4.267 4.340 0.002 0.000 0.204 461 Q C 2.076 178.068 176.000 -0.013 0.000 0.982 461 Q CA 1.949 57.752 55.803 0.000 0.000 0.850 461 Q CB -0.226 28.523 28.738 0.019 0.000 0.901 461 Q HN 0.711 nan 8.270 nan 0.000 0.422 462 I N -0.225 120.323 120.570 -0.036 0.000 2.353 462 I HA -0.234 3.938 4.170 0.002 0.000 0.248 462 I C 2.320 178.419 176.117 -0.029 0.000 1.119 462 I CA 0.902 62.178 61.300 -0.040 0.000 1.417 462 I CB -0.178 37.779 38.000 -0.072 0.000 1.078 462 I HN 0.139 nan 8.210 nan 0.000 0.421 463 R N 0.734 121.216 120.500 -0.030 0.000 2.148 463 R HA -0.016 4.326 4.340 0.002 0.000 0.223 463 R C 2.181 178.474 176.300 -0.013 0.000 1.088 463 R CA 1.213 57.299 56.100 -0.023 0.000 0.985 463 R CB -0.236 30.049 30.300 -0.025 0.000 0.880 463 R HN 0.310 nan 8.270 nan 0.000 0.451 464 A N 0.209 123.024 122.820 -0.008 0.000 2.208 464 A HA 0.028 4.349 4.320 0.002 0.000 0.209 464 A C 1.773 179.358 177.584 0.001 0.000 1.161 464 A CA 0.535 52.571 52.037 -0.002 0.000 0.782 464 A CB 0.068 19.069 19.000 0.002 0.000 0.816 464 A HN 0.123 nan 8.150 nan 0.000 0.477 465 S N -1.120 114.580 115.700 0.000 0.000 2.481 465 S HA 0.241 4.713 4.470 0.002 0.000 0.231 465 S C 1.652 176.256 174.600 0.007 0.000 0.996 465 S CA 0.963 59.166 58.200 0.005 0.000 0.942 465 S CB -0.103 63.100 63.200 0.004 0.000 0.768 465 S HN 1.554 nan 8.310 nan 0.000 0.520 466 G N 0.777 109.579 108.800 0.003 0.000 2.176 466 G HA2 -0.228 3.733 3.960 0.002 0.000 0.253 466 G HA3 -0.228 3.733 3.960 0.002 0.000 0.253 466 G C 0.016 174.920 174.900 0.006 0.000 0.979 466 G CA -0.147 44.956 45.100 0.005 0.000 0.641 466 G HN 0.443 nan 8.290 nan 0.000 0.530 467 L N 2.278 123.505 121.223 0.006 0.000 2.380 467 L HA 0.466 4.807 4.340 0.002 0.000 0.273 467 L C 1.663 178.535 176.870 0.003 0.000 1.138 467 L CA 0.094 54.939 54.840 0.008 0.000 0.832 467 L CB 0.925 42.990 42.059 0.011 0.000 1.124 467 L HN 0.420 nan 8.230 nan 0.000 0.454 468 T N -0.498 114.059 114.554 0.005 0.000 2.788 468 T HA 0.162 4.513 4.350 0.002 0.000 0.287 468 T C 1.324 176.020 174.700 -0.005 0.000 1.007 468 T CA -0.903 61.197 62.100 -0.001 0.000 1.005 468 T CB 1.263 70.132 68.868 0.002 0.000 1.012 468 T HN 0.251 nan 8.240 nan 0.000 0.530 469 V N 1.554 121.458 119.914 -0.017 0.000 2.287 469 V HA -0.178 3.943 4.120 0.002 0.000 0.248 469 V C 3.046 179.127 176.094 -0.021 0.000 1.053 469 V CA 2.410 64.691 62.300 -0.032 0.000 1.027 469 V CB -1.244 30.550 31.823 -0.049 0.000 0.646 469 V HN 1.025 nan 8.190 nan 0.000 0.447 470 S N -0.692 115.002 115.700 -0.011 0.000 2.368 470 S HA -0.280 4.192 4.470 0.002 0.000 0.225 470 S C 1.981 176.602 174.600 0.034 0.000 1.030 470 S CA 1.615 59.818 58.200 0.005 0.000 0.999 470 S CB -0.327 62.875 63.200 0.004 0.000 0.844 470 S HN 0.662 nan 8.310 nan 0.000 0.459 471 Q N 0.556 120.375 119.800 0.032 0.000 2.050 471 Q HA -0.012 4.329 4.340 0.002 0.000 0.202 471 Q C 2.219 178.258 176.000 0.066 0.000 0.980 471 Q CA 1.175 57.007 55.803 0.048 0.000 0.840 471 Q CB -0.327 28.432 28.738 0.034 0.000 0.898 471 Q HN 0.457 nan 8.270 nan 0.000 0.424 472 L N -0.463 120.790 121.223 0.050 0.000 2.044 472 L HA -0.158 4.183 4.340 0.002 0.000 0.205 472 L C 2.331 179.277 176.870 0.126 0.000 1.075 472 L CA 0.661 55.538 54.840 0.061 0.000 0.747 472 L CB -0.388 41.684 42.059 0.021 0.000 0.903 472 L HN 0.086 nan 8.230 nan 0.000 0.435 473 V N -1.228 118.748 119.914 0.104 0.000 2.295 473 V HA -0.299 3.822 4.120 0.002 0.000 0.246 473 V C 2.664 178.965 176.094 0.346 0.000 1.049 473 V CA 2.074 64.479 62.300 0.175 0.000 1.024 473 V CB -0.324 31.489 31.823 -0.016 0.000 0.648 473 V HN 0.387 nan 8.190 nan 0.000 0.447 474 S N -0.724 115.113 115.700 0.229 0.000 2.382 474 S HA -0.188 4.283 4.470 0.002 0.000 0.228 474 S C 2.074 176.849 174.600 0.292 0.000 1.027 474 S CA 2.092 60.451 58.200 0.265 0.000 0.991 474 S CB -0.293 63.010 63.200 0.171 0.000 0.823 474 S HN 0.744 nan 8.310 nan 0.000 0.469 475 T N 1.742 116.424 114.554 0.213 0.000 2.812 475 T HA 0.073 4.424 4.350 0.002 0.000 0.264 475 T C 2.069 176.861 174.700 0.155 0.000 1.042 475 T CA 1.151 63.346 62.100 0.159 0.000 1.140 475 T CB -0.542 68.387 68.868 0.101 0.000 0.870 475 T HN 0.454 nan 8.240 nan 0.000 0.445 476 A N 1.202 124.150 122.820 0.213 0.000 1.930 476 A HA -0.083 4.238 4.320 0.002 0.000 0.217 476 A C 2.140 179.786 177.584 0.103 0.000 1.175 476 A CA 1.051 53.192 52.037 0.173 0.000 0.627 476 A CB -1.025 18.183 19.000 0.347 0.000 0.815 476 A HN 0.724 nan 8.150 nan 0.000 0.443 477 W N 0.785 122.152 121.300 0.113 0.000 2.355 477 W HA -0.208 4.453 4.660 0.002 0.000 0.309 477 W C 2.362 178.894 176.519 0.022 0.000 1.206 477 W CA 2.068 59.424 57.345 0.019 0.000 1.284 477 W CB -0.384 29.185 29.460 0.182 0.000 1.145 477 W HN 0.430 nan 8.180 nan 0.000 0.502 478 A N 1.006 123.935 122.820 0.182 0.000 1.917 478 A HA -0.185 4.137 4.320 0.002 0.000 0.219 478 A C 2.145 179.725 177.584 -0.005 0.000 1.182 478 A CA 3.081 55.185 52.037 0.111 0.000 0.633 478 A CB -1.341 17.762 19.000 0.172 0.000 0.819 478 A HN 0.355 nan 8.150 nan 0.000 0.448 479 A N -0.523 122.274 122.820 -0.038 0.000 1.854 479 A HA 0.254 4.575 4.320 0.002 0.000 0.214 479 A C 2.534 180.041 177.584 -0.129 0.000 1.192 479 A CA 2.050 54.050 52.037 -0.063 0.000 0.611 479 A CB -1.072 17.888 19.000 -0.067 0.000 0.832 479 A HN 1.075 nan 8.150 nan 0.000 0.442 480 A N 0.162 122.822 122.820 -0.265 0.000 1.897 480 A HA -0.018 4.303 4.320 0.002 0.000 0.215 480 A C 2.339 179.675 177.584 -0.414 0.000 1.181 480 A CA 2.007 53.830 52.037 -0.358 0.000 0.620 480 A CB -0.877 17.816 19.000 -0.512 0.000 0.821 480 A HN 1.028 nan 8.150 nan 0.000 0.443 481 S N 0.527 115.824 115.700 -0.673 0.000 2.607 481 S HA -0.037 4.434 4.470 0.002 0.000 0.224 481 S C 1.561 176.021 174.600 -0.233 0.000 0.969 481 S CA 1.005 58.786 58.200 -0.700 0.000 0.927 481 S CB -0.703 61.682 63.200 -1.359 0.000 0.772 481 S HN 0.783 nan 8.310 nan 0.000 0.533 482 S N 0.386 116.051 115.700 -0.059 0.000 2.561 482 S HA 0.147 4.618 4.470 0.002 0.000 0.225 482 S C 0.252 174.931 174.600 0.133 0.000 0.977 482 S CA -0.593 57.687 58.200 0.134 0.000 0.926 482 S CB -0.827 62.550 63.200 0.295 0.000 0.769 482 S HN 0.563 nan 8.310 nan 0.000 0.533 483 F N 4.555 124.472 119.950 -0.055 0.000 2.471 483 F HA 0.384 4.912 4.527 0.002 0.000 0.353 483 F C 0.512 176.294 175.800 -0.030 0.000 1.113 483 F CA -0.851 57.131 58.000 -0.030 0.000 1.262 483 F CB 0.703 39.660 39.000 -0.071 0.000 1.146 483 F HN 0.167 nan 8.300 nan 0.000 0.578 484 R N 4.064 124.080 120.500 -0.807 0.000 2.561 484 R HA 0.511 4.852 4.340 0.002 0.000 0.297 484 R C 0.218 175.965 176.300 -0.923 0.000 0.969 484 R CA -0.547 55.193 56.100 -0.599 0.000 0.879 484 R CB 1.308 31.427 30.300 -0.302 0.000 1.178 484 R HN 0.780 nan 8.270 nan 0.000 0.445 485 G N 1.080 109.641 108.800 -0.398 0.000 2.744 485 G HA2 -0.183 3.779 3.960 0.002 0.000 0.211 485 G HA3 -0.183 3.779 3.960 0.002 0.000 0.211 485 G C 1.085 175.946 174.900 -0.066 0.000 1.143 485 G CA 0.513 45.555 45.100 -0.096 0.000 0.788 485 G HN 0.745 nan 8.290 nan 0.000 0.534 486 S N 1.830 117.460 115.700 -0.117 0.000 2.335 486 S HA -0.146 4.325 4.470 0.002 0.000 0.216 486 S C 1.668 176.252 174.600 -0.026 0.000 1.032 486 S CA 1.623 59.790 58.200 -0.056 0.000 1.000 486 S CB -0.274 62.883 63.200 -0.070 0.000 0.928 486 S HN 0.413 nan 8.310 nan 0.000 0.434 487 D N 0.036 120.409 120.400 -0.046 0.000 2.395 487 D HA 0.201 4.843 4.640 0.002 0.000 0.213 487 D C 0.103 176.358 176.300 -0.074 0.000 1.110 487 D CA -0.209 53.794 54.000 0.005 0.000 0.835 487 D CB -0.505 40.402 40.800 0.179 0.000 0.965 487 D HN 0.511 nan 8.370 nan 0.000 0.505 488 K N -0.152 120.134 120.400 -0.191 0.000 3.088 488 K HA -0.221 4.100 4.320 0.002 0.000 0.273 488 K C -0.121 176.435 176.600 -0.073 0.000 1.111 488 K CA 0.541 56.735 56.287 -0.156 0.000 0.803 488 K CB -1.237 31.310 32.500 0.080 0.000 1.226 488 K HN 0.310 nan 8.250 nan 0.000 0.485 489 R N 0.267 120.646 120.500 -0.202 0.000 2.532 489 R HA 0.541 4.882 4.340 0.002 0.000 0.272 489 R C 0.894 177.155 176.300 -0.065 0.000 1.032 489 R CA 0.245 56.294 56.100 -0.085 0.000 1.089 489 R CB 1.234 31.459 30.300 -0.126 0.000 1.098 489 R HN 0.331 nan 8.270 nan 0.000 0.526 490 G N -0.367 108.501 108.800 0.113 0.000 2.757 490 G HA2 0.208 4.169 3.960 0.002 0.000 0.638 490 G HA3 0.208 4.169 3.960 0.002 0.000 0.638 490 G C -0.084 175.039 174.900 0.372 0.000 1.344 490 G CA -0.490 44.760 45.100 0.251 0.000 0.855 490 G HN 1.109 nan 8.290 nan 0.000 0.537 491 G N -2.586 106.384 108.800 0.283 0.000 2.384 491 G HA2 0.526 4.488 3.960 0.002 0.000 0.668 491 G HA3 0.526 4.488 3.960 0.002 0.000 0.668 491 G C 0.787 175.721 174.900 0.057 0.000 1.280 491 G CA 0.983 46.179 45.100 0.159 0.000 0.992 491 G HN 2.418 nan 8.290 nan 0.000 0.512 492 A N -0.500 122.296 122.820 -0.040 0.000 2.132 492 A HA 0.372 4.693 4.320 0.002 0.000 0.213 492 A C 1.166 178.734 177.584 -0.028 0.000 1.154 492 A CA 1.375 53.377 52.037 -0.059 0.000 0.753 492 A CB -0.253 18.674 19.000 -0.123 0.000 0.826 492 A HN 1.011 nan 8.150 nan 0.000 0.469 493 N N -0.010 118.685 118.700 -0.009 0.000 2.492 493 N HA 0.342 5.083 4.740 0.002 0.000 0.262 493 N C 1.122 176.662 175.510 0.049 0.000 1.202 493 N CA 1.560 54.618 53.050 0.013 0.000 0.926 493 N CB 0.736 39.234 38.487 0.017 0.000 1.078 493 N HN 0.559 nan 8.380 nan 0.000 0.454 494 G N 1.687 110.514 108.800 0.045 0.000 2.279 494 G HA2 -0.191 3.770 3.960 0.002 0.000 0.223 494 G HA3 -0.191 3.770 3.960 0.002 0.000 0.223 494 G C 0.735 175.673 174.900 0.062 0.000 1.015 494 G CA 0.257 45.385 45.100 0.046 0.000 0.621 494 G HN 1.526 nan 8.290 nan 0.000 0.506 495 G N 0.074 108.924 108.800 0.083 0.000 2.283 495 G HA2 -0.329 3.633 3.960 0.002 0.000 0.280 495 G HA3 -0.329 3.633 3.960 0.002 0.000 0.280 495 G C 0.883 175.887 174.900 0.174 0.000 1.029 495 G CA 1.412 46.635 45.100 0.205 0.000 0.840 495 G HN 0.981 nan 8.290 nan 0.000 0.505 496 R N -0.892 119.609 120.500 0.003 0.000 2.339 496 R HA 0.134 4.475 4.340 0.002 0.000 0.199 496 R C 2.466 178.664 176.300 -0.169 0.000 1.018 496 R CA 0.748 56.757 56.100 -0.151 0.000 1.036 496 R CB -0.142 29.961 30.300 -0.328 0.000 0.899 496 R HN 0.539 nan 8.270 nan 0.000 0.473 497 I N 2.028 122.574 120.570 -0.040 0.000 2.335 497 I HA -0.289 3.882 4.170 0.002 0.000 0.251 497 I C 2.177 178.274 176.117 -0.033 0.000 1.129 497 I CA 1.587 62.861 61.300 -0.043 0.000 1.402 497 I CB -0.031 37.997 38.000 0.046 0.000 1.069 497 I HN 0.075 nan 8.210 nan 0.000 0.424 498 R N -0.305 120.205 120.500 0.016 0.000 2.297 498 R HA 0.179 4.520 4.340 0.002 0.000 0.197 498 R C 0.254 176.454 176.300 -0.165 0.000 0.943 498 R CA 0.175 56.215 56.100 -0.099 0.000 1.038 498 R CB -0.392 29.720 30.300 -0.314 0.000 0.957 498 R HN 0.281 nan 8.270 nan 0.000 0.484 499 L N 1.036 122.145 121.223 -0.191 0.000 2.331 499 L HA 0.336 4.677 4.340 0.002 0.000 0.268 499 L C 0.182 176.904 176.870 -0.248 0.000 1.015 499 L CA -1.466 53.247 54.840 -0.213 0.000 0.807 499 L CB 1.351 43.270 42.059 -0.233 0.000 1.293 499 L HN 0.049 nan 8.230 nan 0.000 0.451 500 Q N 1.954 121.633 119.800 -0.202 0.000 2.352 500 Q HA 0.148 4.489 4.340 0.002 0.000 0.260 500 Q C -1.772 174.081 176.000 -0.244 0.000 0.976 500 Q CA -1.423 54.269 55.803 -0.187 0.000 0.881 500 Q CB 1.189 29.872 28.738 -0.093 0.000 1.235 500 Q HN 0.314 nan 8.270 nan 0.000 0.419 501 P HA 0.017 nan 4.420 nan 0.000 0.251 501 P C 0.528 177.390 177.300 -0.730 0.000 1.223 501 P CA 0.580 63.535 63.100 -0.242 0.000 0.796 501 P CB 0.532 32.287 31.700 0.092 0.000 1.068 502 Q N -0.102 119.068 119.800 -1.049 0.000 2.135 502 Q HA -0.095 4.246 4.340 0.002 0.000 0.204 502 Q C 2.055 177.669 176.000 -0.643 0.000 0.981 502 Q CA 1.133 56.078 55.803 -1.429 0.000 0.856 502 Q CB -0.762 27.363 28.738 -1.023 0.000 0.902 502 Q HN 0.100 nan 8.270 nan 0.000 0.425 503 V N 0.149 119.839 119.914 -0.374 0.000 2.913 503 V HA -0.094 4.028 4.120 0.002 0.000 0.260 503 V C 1.585 177.629 176.094 -0.082 0.000 1.098 503 V CA 1.892 64.092 62.300 -0.166 0.000 1.121 503 V CB -0.133 31.613 31.823 -0.127 0.000 0.714 503 V HN 0.472 nan 8.190 nan 0.000 0.487 504 G N -2.202 106.542 108.800 -0.092 0.000 3.159 504 G HA2 0.026 3.988 3.960 0.002 0.000 0.232 504 G HA3 0.026 3.988 3.960 0.002 0.000 0.232 504 G C 0.042 175.057 174.900 0.190 0.000 1.116 504 G CA -0.438 44.688 45.100 0.043 0.000 0.767 504 G HN 0.399 nan 8.290 nan 0.000 0.547 505 W N 1.742 123.059 121.300 0.030 0.000 2.295 505 W HA 0.279 4.940 4.660 0.002 0.000 0.335 505 W C 1.183 177.707 176.519 0.009 0.000 1.351 505 W CA -0.952 56.404 57.345 0.019 0.000 1.273 505 W CB 0.879 30.344 29.460 0.008 0.000 1.214 505 W HN 0.181 nan 8.180 nan 0.000 0.563 506 E N 2.497 122.821 120.200 0.206 0.000 2.070 506 E HA -0.218 4.133 4.350 0.002 0.000 0.197 506 E C 1.935 178.556 176.600 0.035 0.000 1.004 506 E CA 1.811 58.291 56.400 0.134 0.000 0.805 506 E CB -0.520 29.264 29.700 0.140 0.000 0.744 506 E HN 0.260 nan 8.360 nan 0.000 0.451 507 V N 0.980 120.698 119.914 -0.327 0.000 2.469 507 V HA -0.245 3.876 4.120 0.002 0.000 0.251 507 V C 1.293 177.407 176.094 0.033 0.000 1.064 507 V CA 2.293 64.252 62.300 -0.568 0.000 1.066 507 V CB -0.562 30.803 31.823 -0.764 0.000 0.667 507 V HN 0.299 nan 8.190 nan 0.000 0.461 508 N N 0.093 118.882 118.700 0.148 0.000 2.494 508 N HA -0.027 4.714 4.740 0.002 0.000 0.182 508 N C 0.485 176.089 175.510 0.157 0.000 1.076 508 N CA 1.039 54.199 53.050 0.183 0.000 0.908 508 N CB -0.503 38.096 38.487 0.188 0.000 0.967 508 N HN 0.670 nan 8.380 nan 0.000 0.449 509 D N -1.061 119.443 120.400 0.174 0.000 3.133 509 D HA -0.103 4.538 4.640 0.002 0.000 0.239 509 D C -1.727 174.626 176.300 0.088 0.000 1.136 509 D CA 0.073 54.153 54.000 0.133 0.000 0.898 509 D CB 0.193 41.030 40.800 0.062 0.000 0.959 509 D HN 0.210 nan 8.370 nan 0.000 0.415 510 P HA -0.117 nan 4.420 nan 0.000 0.221 510 P C 0.858 178.187 177.300 0.047 0.000 1.150 510 P CA 1.243 64.381 63.100 0.063 0.000 0.800 510 P CB 0.140 31.881 31.700 0.067 0.000 0.787 511 D N -0.479 119.951 120.400 0.049 0.000 2.317 511 D HA 0.010 4.651 4.640 0.002 0.000 0.211 511 D C 1.660 177.974 176.300 0.022 0.000 0.966 511 D CA 0.499 54.520 54.000 0.035 0.000 0.876 511 D CB -1.041 39.783 40.800 0.039 0.000 0.927 511 D HN 0.104 nan 8.370 nan 0.000 0.519 512 G N 0.343 109.154 108.800 0.019 0.000 2.624 512 G HA2 0.027 3.989 3.960 0.002 0.000 0.217 512 G HA3 0.027 3.989 3.960 0.002 0.000 0.217 512 G C 0.391 175.302 174.900 0.019 0.000 1.506 512 G CA -0.222 44.883 45.100 0.008 0.000 1.072 512 G HN -0.069 nan 8.290 nan 0.000 0.568 513 D N -0.449 119.964 120.400 0.022 0.000 2.363 513 D HA -0.019 4.622 4.640 0.002 0.000 0.226 513 D C 2.272 178.595 176.300 0.039 0.000 1.020 513 D CA -0.227 53.790 54.000 0.028 0.000 0.892 513 D CB 0.224 41.040 40.800 0.027 0.000 0.900 513 D HN 0.115 nan 8.370 nan 0.000 0.531 514 L N 1.370 122.621 121.223 0.045 0.000 1.990 514 L HA -0.220 4.122 4.340 0.002 0.000 0.213 514 L C 2.036 178.938 176.870 0.054 0.000 1.072 514 L CA 1.834 56.708 54.840 0.057 0.000 0.755 514 L CB -0.180 41.913 42.059 0.058 0.000 0.889 514 L HN -0.113 nan 8.230 nan 0.000 0.432 515 R N -0.169 120.353 120.500 0.037 0.000 2.120 515 R HA -0.191 4.150 4.340 0.002 0.000 0.234 515 R C 2.283 178.602 176.300 0.032 0.000 1.123 515 R CA 1.519 57.634 56.100 0.026 0.000 0.975 515 R CB -0.622 29.685 30.300 0.013 0.000 0.866 515 R HN 0.523 nan 8.270 nan 0.000 0.446 516 K N 1.054 121.474 120.400 0.034 0.000 2.057 516 K HA -0.067 4.255 4.320 0.002 0.000 0.206 516 K C 2.001 178.629 176.600 0.047 0.000 1.050 516 K CA 1.026 57.334 56.287 0.033 0.000 0.935 516 K CB 0.146 32.663 32.500 0.027 0.000 0.715 516 K HN -0.066 nan 8.250 nan 0.000 0.439 517 V N 1.786 121.734 119.914 0.057 0.000 2.307 517 V HA -0.251 3.870 4.120 0.002 0.000 0.245 517 V C 2.341 178.502 176.094 0.111 0.000 1.045 517 V CA 1.693 64.036 62.300 0.070 0.000 1.024 517 V CB -0.356 31.508 31.823 0.069 0.000 0.651 517 V HN 0.306 nan 8.190 nan 0.000 0.449 518 I N -0.319 120.334 120.570 0.139 0.000 2.118 518 I HA -0.303 3.868 4.170 0.002 0.000 0.241 518 I C 2.800 179.012 176.117 0.159 0.000 1.070 518 I CA 1.966 63.401 61.300 0.225 0.000 1.327 518 I CB -0.470 37.606 38.000 0.127 0.000 1.034 518 I HN 0.208 nan 8.210 nan 0.000 0.405 519 R N 0.421 120.965 120.500 0.072 0.000 2.083 519 R HA -0.171 4.170 4.340 0.002 0.000 0.237 519 R C 2.298 178.635 176.300 0.061 0.000 1.137 519 R CA 2.236 58.361 56.100 0.042 0.000 0.951 519 R CB -0.347 29.966 30.300 0.022 0.000 0.851 519 R HN 0.335 nan 8.270 nan 0.000 0.434 520 T N 1.575 116.169 114.554 0.066 0.000 2.746 520 T HA -0.120 4.231 4.350 0.002 0.000 0.267 520 T C 1.837 176.582 174.700 0.075 0.000 1.039 520 T CA 1.332 63.467 62.100 0.058 0.000 1.142 520 T CB -0.134 68.761 68.868 0.044 0.000 0.866 520 T HN 0.196 nan 8.240 nan 0.000 0.444 521 L N 0.535 121.825 121.223 0.112 0.000 2.141 521 L HA -0.032 4.310 4.340 0.002 0.000 0.209 521 L C 2.688 179.672 176.870 0.189 0.000 1.094 521 L CA 1.210 56.124 54.840 0.123 0.000 0.763 521 L CB -0.552 41.569 42.059 0.103 0.000 0.908 521 L HN 0.310 nan 8.230 nan 0.000 0.437 522 E N 0.157 120.489 120.200 0.220 0.000 2.106 522 E HA -0.212 4.139 4.350 0.002 0.000 0.192 522 E C 2.037 178.693 176.600 0.094 0.000 0.984 522 E CA 1.034 57.526 56.400 0.154 0.000 0.806 522 E CB 0.004 29.727 29.700 0.038 0.000 0.750 522 E HN 0.523 nan 8.360 nan 0.000 0.458 523 E N 0.543 120.787 120.200 0.074 0.000 2.106 523 E HA -0.164 4.187 4.350 0.002 0.000 0.192 523 E C 2.106 178.747 176.600 0.069 0.000 0.984 523 E CA 0.790 57.224 56.400 0.058 0.000 0.806 523 E CB -0.066 29.660 29.700 0.044 0.000 0.750 523 E HN 0.283 nan 8.360 nan 0.000 0.458 524 I N 1.141 121.755 120.570 0.073 0.000 2.315 524 I HA -0.277 3.894 4.170 0.002 0.000 0.248 524 I C 2.782 178.966 176.117 0.111 0.000 1.117 524 I CA 1.011 62.356 61.300 0.076 0.000 1.404 524 I CB -0.203 37.821 38.000 0.039 0.000 1.071 524 I HN 0.133 nan 8.210 nan 0.000 0.419 525 Q N 1.194 121.060 119.800 0.110 0.000 2.020 525 Q HA -0.255 4.087 4.340 0.002 0.000 0.202 525 Q C 2.054 178.147 176.000 0.155 0.000 0.982 525 Q CA 1.849 57.733 55.803 0.135 0.000 0.838 525 Q CB 0.008 28.834 28.738 0.147 0.000 0.899 525 Q HN 0.530 nan 8.270 nan 0.000 0.423 526 E N -0.041 120.225 120.200 0.111 0.000 2.049 526 E HA -0.188 4.163 4.350 0.002 0.000 0.198 526 E C 2.198 178.848 176.600 0.084 0.000 1.007 526 E CA 1.630 58.080 56.400 0.083 0.000 0.809 526 E CB -0.069 29.664 29.700 0.055 0.000 0.749 526 E HN 0.268 nan 8.360 nan 0.000 0.450 527 S N 0.697 116.450 115.700 0.089 0.000 2.353 527 S HA -0.199 4.272 4.470 0.002 0.000 0.222 527 S C 1.720 176.373 174.600 0.087 0.000 1.035 527 S CA 1.281 59.525 58.200 0.074 0.000 1.025 527 S CB -0.460 62.786 63.200 0.077 0.000 0.902 527 S HN 0.280 nan 8.310 nan 0.000 0.440 528 F N 3.114 123.068 119.950 0.006 0.000 2.134 528 F HA -0.137 4.391 4.527 0.002 0.000 0.299 528 F C 1.945 177.744 175.800 -0.002 0.000 1.097 528 F CA 1.358 59.359 58.000 0.001 0.000 1.264 528 F CB -0.346 38.655 39.000 0.002 0.000 1.001 528 F HN 0.106 nan 8.300 nan 0.000 0.479 529 N N 0.069 118.862 118.700 0.156 0.000 2.216 529 N HA -0.139 4.602 4.740 0.002 0.000 0.183 529 N C 2.106 177.592 175.510 -0.041 0.000 1.017 529 N CA 1.628 54.716 53.050 0.064 0.000 0.861 529 N CB -0.722 37.843 38.487 0.130 0.000 0.986 529 N HN 0.436 nan 8.380 nan 0.000 0.428 530 S N -0.053 115.633 115.700 -0.023 0.000 2.395 530 S HA 0.169 4.640 4.470 0.002 0.000 0.225 530 S C 2.059 176.611 174.600 -0.079 0.000 1.027 530 S CA 0.711 58.889 58.200 -0.038 0.000 0.965 530 S CB -0.266 62.927 63.200 -0.011 0.000 0.812 530 S HN 0.303 nan 8.310 nan 0.000 0.482 531 A N 2.628 125.382 122.820 -0.110 0.000 1.840 531 A HA 0.593 4.915 4.320 0.002 0.000 0.214 531 A C 1.532 178.996 177.584 -0.200 0.000 1.198 531 A CA 0.773 52.731 52.037 -0.132 0.000 0.608 531 A CB -1.395 17.539 19.000 -0.110 0.000 0.839 531 A HN 0.872 nan 8.150 nan 0.000 0.443 532 A N 0.934 123.538 122.820 -0.361 0.000 2.524 532 A HA 0.465 4.787 4.320 0.002 0.000 0.250 532 A C -1.239 176.188 177.584 -0.261 0.000 1.078 532 A CA -0.762 51.034 52.037 -0.401 0.000 0.761 532 A CB -0.294 18.237 19.000 -0.782 0.000 1.012 532 A HN 0.405 nan 8.150 nan 0.000 0.500 533 P HA 0.348 nan 4.420 nan 0.000 0.273 533 P C 1.239 178.459 177.300 -0.134 0.000 1.324 533 P CA 0.704 63.728 63.100 -0.126 0.000 0.728 533 P CB -0.414 31.233 31.700 -0.087 0.000 1.614 534 G N -0.111 108.632 108.800 -0.096 0.000 2.582 534 G HA2 -0.283 3.679 3.960 0.002 0.000 0.300 534 G HA3 -0.283 3.679 3.960 0.002 0.000 0.300 534 G C 0.358 175.176 174.900 -0.137 0.000 1.300 534 G CA 0.641 45.688 45.100 -0.088 0.000 0.959 534 G HN 0.568 nan 8.290 nan 0.000 0.548 535 N N 0.125 118.724 118.700 -0.168 0.000 2.197 535 N HA 0.177 4.919 4.740 0.002 0.000 0.228 535 N C 0.266 175.486 175.510 -0.484 0.000 1.212 535 N CA -0.175 52.640 53.050 -0.392 0.000 0.883 535 N CB 0.720 39.157 38.487 -0.083 0.000 1.107 535 N HN 0.421 nan 8.380 nan 0.000 0.519 536 I N 1.699 122.140 120.570 -0.215 0.000 2.416 536 I HA 0.185 4.356 4.170 0.002 0.000 0.288 536 I C 0.435 176.555 176.117 0.005 0.000 1.051 536 I CA 0.226 61.501 61.300 -0.042 0.000 1.375 536 I CB 0.232 38.284 38.000 0.087 0.000 1.407 536 I HN -0.249 nan 8.210 nan 0.000 0.516 537 K N 4.378 124.834 120.400 0.093 0.000 2.435 537 K HA 0.678 4.999 4.320 0.002 0.000 0.251 537 K C -1.252 175.473 176.600 0.209 0.000 0.954 537 K CA -0.789 55.611 56.287 0.189 0.000 0.820 537 K CB 3.334 35.916 32.500 0.137 0.000 1.292 537 K HN 0.293 nan 8.250 nan 0.000 0.436 538 V N 1.827 121.867 119.914 0.210 0.000 2.555 538 V HA 0.361 4.482 4.120 0.002 0.000 0.302 538 V C -0.590 175.554 176.094 0.084 0.000 1.038 538 V CA -0.376 61.963 62.300 0.065 0.000 0.887 538 V CB 1.894 33.609 31.823 -0.179 0.000 0.991 538 V HN 0.958 nan 8.190 nan 0.000 0.434 539 S N 5.206 120.950 115.700 0.072 0.000 2.610 539 S HA 0.285 4.756 4.470 0.002 0.000 0.273 539 S C 0.771 175.435 174.600 0.106 0.000 1.274 539 S CA -0.156 58.104 58.200 0.101 0.000 1.023 539 S CB 1.011 64.264 63.200 0.088 0.000 0.962 539 S HN 0.854 nan 8.310 nan 0.000 0.523 540 F N 2.304 122.258 119.950 0.007 0.000 2.161 540 F HA -0.029 4.499 4.527 0.002 0.000 0.300 540 F C 2.299 178.099 175.800 -0.000 0.000 1.089 540 F CA 1.644 59.642 58.000 -0.003 0.000 1.282 540 F CB -0.923 38.072 39.000 -0.008 0.000 1.010 540 F HN 0.756 nan 8.300 nan 0.000 0.485 541 A N 0.167 122.966 122.820 -0.035 0.000 1.908 541 A HA -0.231 4.090 4.320 0.002 0.000 0.218 541 A C 1.989 179.495 177.584 -0.129 0.000 1.181 541 A CA 2.128 54.090 52.037 -0.124 0.000 0.627 541 A CB -1.117 17.896 19.000 0.023 0.000 0.818 541 A HN 0.461 nan 8.150 nan 0.000 0.445 542 D N -0.707 119.679 120.400 -0.024 0.000 2.178 542 D HA -0.070 4.572 4.640 0.002 0.000 0.202 542 D C 1.733 178.025 176.300 -0.014 0.000 0.974 542 D CA 0.701 54.772 54.000 0.118 0.000 0.841 542 D CB -0.181 40.752 40.800 0.222 0.000 0.953 542 D HN 0.255 nan 8.370 nan 0.000 0.478 543 L N 0.224 121.347 121.223 -0.167 0.000 2.093 543 L HA -0.098 4.243 4.340 0.002 0.000 0.208 543 L C 2.414 179.122 176.870 -0.269 0.000 1.085 543 L CA 0.865 55.559 54.840 -0.243 0.000 0.755 543 L CB -0.679 41.257 42.059 -0.206 0.000 0.904 543 L HN -0.076 nan 8.230 nan 0.000 0.435 544 V N -1.217 118.467 119.914 -0.384 0.000 2.282 544 V HA -0.312 3.809 4.120 0.002 0.000 0.249 544 V C 2.442 178.465 176.094 -0.118 0.000 1.057 544 V CA 1.793 63.907 62.300 -0.310 0.000 1.032 544 V CB -0.558 31.009 31.823 -0.426 0.000 0.645 544 V HN 0.249 nan 8.190 nan 0.000 0.447 545 V N -0.692 119.180 119.914 -0.069 0.000 2.358 545 V HA -0.191 3.930 4.120 0.002 0.000 0.246 545 V C 2.321 178.438 176.094 0.039 0.000 1.047 545 V CA 1.778 64.111 62.300 0.055 0.000 1.035 545 V CB -0.556 31.352 31.823 0.141 0.000 0.658 545 V HN 0.477 nan 8.190 nan 0.000 0.452 546 L N 1.409 122.502 121.223 -0.217 0.000 2.083 546 L HA -0.033 4.308 4.340 0.002 0.000 0.209 546 L C 2.327 179.059 176.870 -0.230 0.000 1.083 546 L CA 2.251 56.779 54.840 -0.520 0.000 0.752 546 L CB -1.261 40.271 42.059 -0.879 0.000 0.899 546 L HN 0.288 nan 8.230 nan 0.000 0.433 547 G N -1.143 107.572 108.800 -0.142 0.000 2.446 547 G HA2 -0.238 3.723 3.960 0.002 0.000 0.217 547 G HA3 -0.238 3.723 3.960 0.002 0.000 0.217 547 G C 1.544 176.446 174.900 0.004 0.000 1.168 547 G CA 0.618 45.676 45.100 -0.070 0.000 0.771 547 G HN 0.569 nan 8.290 nan 0.000 0.551 548 G N 0.203 109.073 108.800 0.117 0.000 2.446 548 G HA2 -0.268 3.694 3.960 0.002 0.000 0.217 548 G HA3 -0.268 3.694 3.960 0.002 0.000 0.217 548 G C 1.884 176.845 174.900 0.102 0.000 1.168 548 G CA 1.419 46.670 45.100 0.252 0.000 0.771 548 G HN 0.473 nan 8.290 nan 0.000 0.551 549 C N 0.969 120.376 119.300 0.178 0.000 2.429 549 C HA 0.193 4.654 4.460 0.002 0.000 0.277 549 C C 3.540 178.507 174.990 -0.039 0.000 1.262 549 C CA 0.752 59.824 59.018 0.090 0.000 1.733 549 C CB -1.022 26.803 27.740 0.142 0.000 2.010 549 C HN 0.563 nan 8.230 nan 0.000 0.483 550 A N 0.544 123.326 122.820 -0.064 0.000 1.930 550 A HA 0.118 4.439 4.320 0.002 0.000 0.217 550 A C 2.337 179.879 177.584 -0.070 0.000 1.175 550 A CA 1.957 53.950 52.037 -0.074 0.000 0.627 550 A CB -0.745 18.202 19.000 -0.089 0.000 0.815 550 A HN 0.576 nan 8.150 nan 0.000 0.443 551 A N -0.428 122.346 122.820 -0.077 0.000 1.968 551 A HA 0.035 4.356 4.320 0.002 0.000 0.217 551 A C 2.080 179.589 177.584 -0.124 0.000 1.169 551 A CA 1.303 53.289 52.037 -0.085 0.000 0.638 551 A CB -0.387 18.569 19.000 -0.073 0.000 0.812 551 A HN 0.516 nan 8.150 nan 0.000 0.446 552 I N 0.011 120.471 120.570 -0.183 0.000 2.439 552 I HA -0.139 4.032 4.170 0.002 0.000 0.251 552 I C 1.891 177.930 176.117 -0.130 0.000 1.139 552 I CA 1.497 62.665 61.300 -0.219 0.000 1.438 552 I CB -0.691 37.084 38.000 -0.375 0.000 1.085 552 I HN 0.451 nan 8.210 nan 0.000 0.427 553 E N 0.751 120.897 120.200 -0.091 0.000 2.051 553 E HA -0.290 4.062 4.350 0.002 0.000 0.192 553 E C 2.138 178.717 176.600 -0.036 0.000 0.991 553 E CA 1.410 57.781 56.400 -0.047 0.000 0.799 553 E CB -0.091 29.589 29.700 -0.034 0.000 0.748 553 E HN 0.421 nan 8.360 nan 0.000 0.449 554 K N 0.639 121.012 120.400 -0.045 0.000 2.026 554 K HA -0.156 4.165 4.320 0.002 0.000 0.208 554 K C 2.139 178.720 176.600 -0.031 0.000 1.048 554 K CA 1.287 57.554 56.287 -0.033 0.000 0.929 554 K CB -0.128 32.349 32.500 -0.037 0.000 0.713 554 K HN 0.076 nan 8.250 nan 0.000 0.439 555 A N 0.787 123.575 122.820 -0.054 0.000 1.969 555 A HA -0.063 4.259 4.320 0.002 0.000 0.218 555 A C 2.238 179.807 177.584 -0.025 0.000 1.169 555 A CA 1.733 53.737 52.037 -0.054 0.000 0.635 555 A CB -0.600 18.339 19.000 -0.102 0.000 0.810 555 A HN 0.493 nan 8.150 nan 0.000 0.445 556 A N 0.356 123.162 122.820 -0.023 0.000 1.930 556 A HA -0.094 4.227 4.320 0.002 0.000 0.217 556 A C 2.041 179.694 177.584 0.115 0.000 1.175 556 A CA 2.166 54.228 52.037 0.042 0.000 0.627 556 A CB -0.388 18.616 19.000 0.008 0.000 0.815 556 A HN 0.531 nan 8.150 nan 0.000 0.443 557 K N 0.655 121.087 120.400 0.054 0.000 2.032 557 K HA -0.014 4.307 4.320 0.002 0.000 0.209 557 K C 1.859 178.475 176.600 0.028 0.000 1.048 557 K CA 1.939 58.248 56.287 0.037 0.000 0.927 557 K CB -0.663 31.845 32.500 0.014 0.000 0.712 557 K HN 0.269 nan 8.250 nan 0.000 0.441 558 A N 0.226 123.060 122.820 0.022 0.000 2.076 558 A HA 0.026 4.348 4.320 0.002 0.000 0.220 558 A C 2.081 179.684 177.584 0.031 0.000 1.160 558 A CA 1.705 53.752 52.037 0.016 0.000 0.653 558 A CB -0.724 18.280 19.000 0.006 0.000 0.801 558 A HN 0.493 nan 8.150 nan 0.000 0.455 559 A N -1.711 121.153 122.820 0.075 0.000 2.423 559 A HA 0.469 4.791 4.320 0.002 0.000 0.246 559 A C 1.415 179.013 177.584 0.023 0.000 1.278 559 A CA 0.833 52.938 52.037 0.114 0.000 0.903 559 A CB -0.896 18.233 19.000 0.216 0.000 0.997 559 A HN 1.851 nan 8.150 nan 0.000 0.510 560 G N -0.070 108.697 108.800 -0.055 0.000 2.212 560 G HA2 -0.210 3.751 3.960 0.002 0.000 0.255 560 G HA3 -0.210 3.751 3.960 0.002 0.000 0.255 560 G C -0.401 174.237 174.900 -0.436 0.000 1.062 560 G CA 0.383 45.356 45.100 -0.212 0.000 0.815 560 G HN 0.817 nan 8.290 nan 0.000 0.497 561 H N -0.422 118.656 119.070 0.013 0.000 2.823 561 H HA 0.425 4.982 4.556 0.002 0.000 0.332 561 H C -0.065 175.266 175.328 0.006 0.000 0.980 561 H CA -0.670 55.387 56.048 0.015 0.000 1.286 561 H CB 0.932 30.707 29.762 0.021 0.000 1.541 561 H HN 0.275 nan 8.280 nan 0.000 0.521 562 N N 4.348 123.104 118.700 0.093 0.000 2.469 562 N HA 0.316 5.057 4.740 0.002 0.000 0.239 562 N C -0.729 174.818 175.510 0.061 0.000 1.053 562 N CA -0.346 52.739 53.050 0.057 0.000 0.937 562 N CB 0.863 39.368 38.487 0.030 0.000 1.163 562 N HN 0.491 nan 8.380 nan 0.000 0.509 563 I N -1.363 119.238 120.570 0.052 0.000 2.828 563 I HA 0.544 4.715 4.170 0.002 0.000 0.302 563 I C -0.623 175.509 176.117 0.025 0.000 1.101 563 I CA -0.769 60.555 61.300 0.040 0.000 1.031 563 I CB 2.350 40.370 38.000 0.034 0.000 1.231 563 I HN -0.008 nan 8.210 nan 0.000 0.427 564 T N 3.986 118.556 114.554 0.027 0.000 2.758 564 T HA 0.456 4.807 4.350 0.002 0.000 0.285 564 T C -0.180 174.543 174.700 0.038 0.000 0.981 564 T CA -0.446 61.671 62.100 0.028 0.000 0.965 564 T CB 1.372 70.259 68.868 0.032 0.000 0.927 564 T HN 0.423 nan 8.240 nan 0.000 0.448 565 V N 6.871 126.810 119.914 0.042 0.000 2.470 565 V HA 0.211 4.332 4.120 0.002 0.000 0.276 565 V C -1.848 174.317 176.094 0.117 0.000 1.040 565 V CA -1.685 60.660 62.300 0.075 0.000 1.008 565 V CB 0.201 32.065 31.823 0.068 0.000 0.990 565 V HN 0.709 nan 8.190 nan 0.000 0.477 566 P HA 0.251 nan 4.420 nan 0.000 0.269 566 P C -0.967 176.459 177.300 0.211 0.000 1.215 566 P CA 0.000 63.172 63.100 0.119 0.000 0.780 566 P CB 0.289 32.027 31.700 0.063 0.000 0.898 567 F N 0.637 120.587 119.950 0.001 0.000 2.605 567 F HA 0.428 4.956 4.527 0.002 0.000 0.320 567 F C -1.198 174.580 175.800 -0.036 0.000 1.159 567 F CA -0.393 57.599 58.000 -0.014 0.000 0.999 567 F CB 1.575 40.570 39.000 -0.008 0.000 1.258 567 F HN 0.221 nan 8.300 nan 0.000 0.464 568 T N 7.894 121.941 114.554 -0.846 0.000 2.772 568 T HA 0.650 5.001 4.350 0.002 0.000 0.288 568 T C -2.844 171.219 174.700 -1.062 0.000 0.994 568 T CA -2.009 59.648 62.100 -0.737 0.000 0.951 568 T CB 1.309 69.953 68.868 -0.373 0.000 0.933 568 T HN 0.471 nan 8.240 nan 0.000 0.447 569 P HA 0.546 nan 4.420 nan 0.000 0.277 569 P C 0.780 177.938 177.300 -0.237 0.000 1.271 569 P CA 0.272 63.106 63.100 -0.444 0.000 0.795 569 P CB 0.737 32.383 31.700 -0.090 0.000 1.101 570 G N -1.129 107.605 108.800 -0.110 0.000 2.318 570 G HA2 -0.142 3.819 3.960 0.002 0.000 0.172 570 G HA3 -0.142 3.819 3.960 0.002 0.000 0.172 570 G C 0.195 175.068 174.900 -0.045 0.000 1.002 570 G CA -0.541 44.518 45.100 -0.068 0.000 0.697 570 G HN 0.518 nan 8.290 nan 0.000 0.483 571 R N 1.598 122.068 120.500 -0.050 0.000 2.623 571 R HA 0.486 4.827 4.340 0.002 0.000 0.271 571 R C 0.830 177.139 176.300 0.015 0.000 1.043 571 R CA 1.128 57.216 56.100 -0.020 0.000 1.083 571 R CB 0.460 30.746 30.300 -0.022 0.000 0.974 571 R HN 0.410 nan 8.270 nan 0.000 0.436 572 T N -1.906 112.663 114.554 0.025 0.000 2.927 572 T HA 0.332 4.683 4.350 0.002 0.000 0.286 572 T C -0.659 174.075 174.700 0.056 0.000 1.040 572 T CA -1.175 60.949 62.100 0.041 0.000 1.010 572 T CB 1.702 70.588 68.868 0.030 0.000 1.177 572 T HN 0.284 nan 8.240 nan 0.000 0.546 573 D N 1.202 121.640 120.400 0.064 0.000 2.392 573 D HA 0.545 5.186 4.640 0.002 0.000 0.228 573 D C 0.045 176.363 176.300 0.029 0.000 1.074 573 D CA -0.214 53.830 54.000 0.073 0.000 0.838 573 D CB 1.442 42.300 40.800 0.095 0.000 1.067 573 D HN 0.873 nan 8.370 nan 0.000 0.511 574 A N 2.197 125.025 122.820 0.014 0.000 2.386 574 A HA 0.458 4.779 4.320 0.002 0.000 0.248 574 A C 0.756 178.316 177.584 -0.040 0.000 1.082 574 A CA -0.406 51.622 52.037 -0.015 0.000 0.789 574 A CB 0.348 19.331 19.000 -0.027 0.000 1.025 574 A HN 0.520 nan 8.150 nan 0.000 0.490 575 S N 0.547 116.223 115.700 -0.041 0.000 2.693 575 S HA 0.313 4.785 4.470 0.002 0.000 0.276 575 S C 0.787 175.347 174.600 -0.067 0.000 1.192 575 S CA -0.133 58.035 58.200 -0.053 0.000 0.994 575 S CB 1.159 64.337 63.200 -0.037 0.000 1.012 575 S HN 0.723 nan 8.310 nan 0.000 0.550 576 Q N 0.479 120.235 119.800 -0.073 0.000 2.170 576 Q HA -0.135 4.206 4.340 0.002 0.000 0.203 576 Q C 1.856 177.831 176.000 -0.043 0.000 0.976 576 Q CA 1.955 57.713 55.803 -0.076 0.000 0.858 576 Q CB -0.379 28.317 28.738 -0.069 0.000 0.907 576 Q HN 0.882 nan 8.270 nan 0.000 0.433 577 E N -0.386 119.797 120.200 -0.027 0.000 2.204 577 E HA -0.182 4.169 4.350 0.002 0.000 0.194 577 E C 1.107 177.710 176.600 0.005 0.000 0.989 577 E CA 0.815 57.211 56.400 -0.006 0.000 0.824 577 E CB 0.123 29.819 29.700 -0.007 0.000 0.756 577 E HN 0.535 nan 8.360 nan 0.000 0.477 578 Q N -0.329 119.468 119.800 -0.004 0.000 2.365 578 Q HA 0.048 4.389 4.340 0.002 0.000 0.203 578 Q C -0.439 175.586 176.000 0.042 0.000 0.929 578 Q CA 0.343 56.153 55.803 0.012 0.000 0.948 578 Q CB 0.885 29.623 28.738 -0.001 0.000 1.043 578 Q HN -0.045 nan 8.270 nan 0.000 0.505 579 T N 0.860 115.425 114.554 0.018 0.000 3.064 579 T HA 0.063 4.415 4.350 0.002 0.000 0.367 579 T C -0.947 173.808 174.700 0.092 0.000 1.202 579 T CA -0.697 61.402 62.100 -0.002 0.000 1.133 579 T CB 0.764 69.491 68.868 -0.235 0.000 1.074 579 T HN -0.005 nan 8.240 nan 0.000 0.519 580 D N 3.116 123.671 120.400 0.259 0.000 2.349 580 D HA 0.035 4.677 4.640 0.002 0.000 0.266 580 D C 1.335 177.824 176.300 0.314 0.000 1.293 580 D CA -0.046 54.106 54.000 0.254 0.000 0.926 580 D CB 0.930 41.884 40.800 0.257 0.000 1.090 580 D HN 0.173 nan 8.370 nan 0.000 0.502 581 V N 4.839 124.868 119.914 0.191 0.000 2.295 581 V HA -0.268 3.853 4.120 0.002 0.000 0.246 581 V C 2.340 178.575 176.094 0.236 0.000 1.049 581 V CA 2.278 64.687 62.300 0.181 0.000 1.024 581 V CB -0.570 31.314 31.823 0.102 0.000 0.648 581 V HN 0.709 nan 8.190 nan 0.000 0.447 582 E N -0.192 120.124 120.200 0.194 0.000 2.152 582 E HA -0.173 4.178 4.350 0.002 0.000 0.192 582 E C 2.313 179.026 176.600 0.188 0.000 0.983 582 E CA 1.358 57.865 56.400 0.179 0.000 0.818 582 E CB -0.399 29.384 29.700 0.138 0.000 0.758 582 E HN 0.450 nan 8.360 nan 0.000 0.467 583 S N 0.130 115.950 115.700 0.200 0.000 2.368 583 S HA -0.095 4.376 4.470 0.002 0.000 0.225 583 S C 1.481 176.147 174.600 0.110 0.000 1.030 583 S CA 0.731 59.019 58.200 0.146 0.000 0.999 583 S CB -0.385 62.898 63.200 0.139 0.000 0.844 583 S HN 0.344 nan 8.310 nan 0.000 0.459 584 F N 1.736 121.786 119.950 0.168 0.000 2.604 584 F HA 0.165 4.694 4.527 0.002 0.000 0.298 584 F C 2.263 178.268 175.800 0.341 0.000 1.131 584 F CA 0.509 58.647 58.000 0.230 0.000 1.457 584 F CB -0.374 38.733 39.000 0.178 0.000 1.095 584 F HN 0.262 nan 8.300 nan 0.000 0.574 585 A N 0.051 123.101 122.820 0.384 0.000 1.933 585 A HA -0.179 4.142 4.320 0.002 0.000 0.218 585 A C 2.302 179.951 177.584 0.109 0.000 1.175 585 A CA 1.914 54.134 52.037 0.305 0.000 0.628 585 A CB -1.318 17.808 19.000 0.209 0.000 0.814 585 A HN 0.280 nan 8.150 nan 0.000 0.444 586 V N -2.216 117.730 119.914 0.052 0.000 2.913 586 V HA -0.062 4.059 4.120 0.002 0.000 0.260 586 V C 1.859 177.852 176.094 -0.169 0.000 1.098 586 V CA 1.627 63.874 62.300 -0.087 0.000 1.121 586 V CB -0.894 30.886 31.823 -0.073 0.000 0.714 586 V HN 0.453 nan 8.190 nan 0.000 0.487 587 L N 0.320 121.507 121.223 -0.060 0.000 2.599 587 L HA 0.229 4.570 4.340 0.002 0.000 0.230 587 L C 1.339 177.915 176.870 -0.491 0.000 1.141 587 L CA 0.350 55.141 54.840 -0.082 0.000 0.877 587 L CB -0.319 41.877 42.059 0.229 0.000 1.009 587 L HN 0.444 nan 8.230 nan 0.000 0.447 588 E N 2.543 122.211 120.200 -0.885 0.000 2.299 588 E HA 0.125 4.476 4.350 0.002 0.000 0.272 588 E C -2.126 174.045 176.600 -0.714 0.000 1.043 588 E CA -1.920 53.553 56.400 -1.544 0.000 0.895 588 E CB 0.799 29.609 29.700 -1.483 0.000 1.011 588 E HN -0.016 nan 8.360 nan 0.000 0.432 589 P HA 0.060 nan 4.420 nan 0.000 0.271 589 P C -0.552 176.709 177.300 -0.066 0.000 1.226 589 P CA 0.057 63.042 63.100 -0.191 0.000 0.765 589 P CB 0.730 32.400 31.700 -0.050 0.000 0.835 590 K N 1.495 121.885 120.400 -0.017 0.000 2.426 590 K HA 0.364 4.685 4.320 0.002 0.000 0.193 590 K C 0.393 177.033 176.600 0.067 0.000 1.028 590 K CA 0.228 56.548 56.287 0.055 0.000 1.047 590 K CB 0.419 32.912 32.500 -0.011 0.000 0.821 590 K HN 0.510 nan 8.250 nan 0.000 0.513 591 A N 1.284 124.171 122.820 0.111 0.000 2.540 591 A HA 0.382 4.703 4.320 0.002 0.000 0.297 591 A C -1.931 175.778 177.584 0.207 0.000 1.056 591 A CA -0.733 51.363 52.037 0.098 0.000 0.700 591 A CB 1.400 20.403 19.000 0.005 0.000 1.280 591 A HN 0.013 nan 8.150 nan 0.000 0.398 592 D N 1.781 122.349 120.400 0.281 0.000 2.328 592 D HA 0.413 5.054 4.640 0.002 0.000 0.243 592 D C 1.145 177.596 176.300 0.252 0.000 1.324 592 D CA 0.458 54.655 54.000 0.329 0.000 0.966 592 D CB 0.985 42.031 40.800 0.410 0.000 1.324 592 D HN 0.620 nan 8.370 nan 0.000 0.549 593 G N 1.359 110.220 108.800 0.102 0.000 2.470 593 G HA2 -0.229 3.732 3.960 0.002 0.000 0.220 593 G HA3 -0.229 3.732 3.960 0.002 0.000 0.220 593 G C 1.160 175.975 174.900 -0.140 0.000 1.121 593 G CA 0.404 45.464 45.100 -0.068 0.000 0.766 593 G HN 0.486 nan 8.290 nan 0.000 0.553 594 F N -0.061 119.936 119.950 0.078 0.000 2.407 594 F HA 0.184 4.712 4.527 0.002 0.000 0.299 594 F C 2.617 178.312 175.800 -0.175 0.000 1.097 594 F CA 0.727 58.666 58.000 -0.103 0.000 1.422 594 F CB 0.251 39.176 39.000 -0.125 0.000 1.067 594 F HN -0.002 nan 8.300 nan 0.000 0.539 595 R N -0.482 120.118 120.500 0.168 0.000 2.543 595 R HA 0.134 4.476 4.340 0.002 0.000 0.323 595 R C 0.020 176.430 176.300 0.184 0.000 1.002 595 R CA -0.097 56.099 56.100 0.159 0.000 1.106 595 R CB -0.272 30.197 30.300 0.281 0.000 1.280 595 R HN 0.154 nan 8.270 nan 0.000 0.549 596 N N 0.578 119.346 118.700 0.112 0.000 2.721 596 N HA -0.285 4.456 4.740 0.002 0.000 0.249 596 N C -1.206 174.399 175.510 0.159 0.000 1.072 596 N CA 0.280 53.389 53.050 0.097 0.000 0.710 596 N CB -0.531 37.997 38.487 0.068 0.000 0.993 596 N HN 0.273 nan 8.380 nan 0.000 0.547 597 Y N 0.775 121.083 120.300 0.014 0.000 2.328 597 Y HA 0.573 5.124 4.550 0.002 0.000 0.337 597 Y C -0.848 174.986 175.900 -0.109 0.000 1.008 597 Y CA -0.899 57.119 58.100 -0.136 0.000 1.129 597 Y CB 0.926 39.236 38.460 -0.248 0.000 1.185 597 Y HN 0.153 nan 8.280 nan 0.000 0.476 598 L N 6.990 127.711 121.223 -0.838 0.000 2.415 598 L HA 0.693 5.034 4.340 0.002 0.000 0.268 598 L C -0.085 176.262 176.870 -0.873 0.000 0.984 598 L CA -0.139 54.290 54.840 -0.685 0.000 0.853 598 L CB 1.181 43.068 42.059 -0.287 0.000 1.215 598 L HN 0.810 nan 8.230 nan 0.000 0.419 599 G N 3.080 111.340 108.800 -0.900 0.000 2.563 599 G HA2 0.355 4.316 3.960 0.002 0.000 0.283 599 G HA3 0.355 4.316 3.960 0.002 0.000 0.283 599 G C -0.655 174.122 174.900 -0.204 0.000 1.309 599 G CA -0.718 44.115 45.100 -0.445 0.000 1.022 599 G HN 0.567 nan 8.290 nan 0.000 0.501 600 K N -0.885 119.457 120.400 -0.097 0.000 2.154 600 K HA 0.498 4.820 4.320 0.002 0.000 0.264 600 K C 0.857 177.433 176.600 -0.040 0.000 1.008 600 K CA 0.409 56.661 56.287 -0.058 0.000 0.937 600 K CB 1.288 33.773 32.500 -0.026 0.000 1.002 600 K HN 0.959 nan 8.250 nan 0.000 0.469 601 G N 0.967 109.745 108.800 -0.037 0.000 2.176 601 G HA2 -0.208 3.753 3.960 0.002 0.000 0.232 601 G HA3 -0.208 3.753 3.960 0.002 0.000 0.232 601 G C -0.238 174.643 174.900 -0.032 0.000 0.986 601 G CA -0.570 44.514 45.100 -0.026 0.000 0.643 601 G HN 0.606 nan 8.290 nan 0.000 0.522 602 N N 1.287 119.959 118.700 -0.047 0.000 2.518 602 N HA 0.318 5.060 4.740 0.002 0.000 0.266 602 N C -0.716 174.748 175.510 -0.077 0.000 1.196 602 N CA -0.296 52.723 53.050 -0.052 0.000 0.947 602 N CB 1.571 40.025 38.487 -0.056 0.000 1.098 602 N HN 0.165 nan 8.380 nan 0.000 0.450 603 P HA 0.089 nan 4.420 nan 0.000 0.229 603 P C -0.044 177.147 177.300 -0.182 0.000 1.160 603 P CA 0.901 63.911 63.100 -0.150 0.000 0.777 603 P CB 0.817 32.393 31.700 -0.208 0.000 0.814 604 L N -1.260 119.863 121.223 -0.166 0.000 2.409 604 L HA 0.491 4.832 4.340 0.002 0.000 0.255 604 L C -2.645 174.162 176.870 -0.105 0.000 1.027 604 L CA -2.793 51.909 54.840 -0.229 0.000 0.834 604 L CB 2.054 43.900 42.059 -0.355 0.000 1.426 604 L HN -0.397 nan 8.230 nan 0.000 0.411 605 P HA 0.011 nan 4.420 nan 0.000 0.269 605 P C 0.170 177.562 177.300 0.154 0.000 1.211 605 P CA 0.036 63.188 63.100 0.088 0.000 0.781 605 P CB 0.636 32.452 31.700 0.193 0.000 0.877 606 A N 2.695 125.563 122.820 0.079 0.000 1.948 606 A HA -0.243 4.079 4.320 0.002 0.000 0.220 606 A C 1.865 179.465 177.584 0.026 0.000 1.177 606 A CA 1.903 53.962 52.037 0.036 0.000 0.636 606 A CB -1.040 17.966 19.000 0.009 0.000 0.815 606 A HN 0.719 nan 8.150 nan 0.000 0.449 607 E N -0.920 119.286 120.200 0.010 0.000 2.204 607 E HA -0.213 4.138 4.350 0.002 0.000 0.194 607 E C 1.656 178.154 176.600 -0.170 0.000 0.989 607 E CA 1.386 57.705 56.400 -0.135 0.000 0.824 607 E CB -0.644 28.907 29.700 -0.247 0.000 0.756 607 E HN 0.729 nan 8.360 nan 0.000 0.477 608 Y N 0.704 120.956 120.300 -0.079 0.000 2.263 608 Y HA -0.016 4.536 4.550 0.002 0.000 0.292 608 Y C 2.585 178.448 175.900 -0.061 0.000 1.130 608 Y CA 1.088 59.145 58.100 -0.072 0.000 1.179 608 Y CB -0.214 38.203 38.460 -0.072 0.000 0.998 608 Y HN -0.044 nan 8.280 nan 0.000 0.532 609 M N -0.700 118.966 119.600 0.111 0.000 2.296 609 M HA -0.105 4.376 4.480 0.002 0.000 0.265 609 M C 2.190 178.514 176.300 0.039 0.000 1.064 609 M CA 0.980 56.312 55.300 0.052 0.000 1.109 609 M CB -1.262 31.355 32.600 0.028 0.000 1.396 609 M HN 0.385 nan 8.290 nan 0.000 0.430 610 L N 0.660 121.882 121.223 -0.003 0.000 2.017 610 L HA -0.149 4.192 4.340 0.002 0.000 0.208 610 L C 2.091 178.963 176.870 0.004 0.000 1.073 610 L CA 1.742 56.553 54.840 -0.050 0.000 0.745 610 L CB -0.826 41.149 42.059 -0.140 0.000 0.894 610 L HN 0.135 nan 8.230 nan 0.000 0.432 611 L N -0.172 121.042 121.223 -0.015 0.000 2.093 611 L HA -0.185 4.156 4.340 0.002 0.000 0.208 611 L C 2.245 179.151 176.870 0.060 0.000 1.085 611 L CA 1.952 56.801 54.840 0.015 0.000 0.755 611 L CB -0.944 41.090 42.059 -0.040 0.000 0.904 611 L HN 0.425 nan 8.230 nan 0.000 0.435 612 D N -0.562 119.871 120.400 0.054 0.000 2.097 612 D HA -0.250 4.391 4.640 0.002 0.000 0.195 612 D C 2.215 178.566 176.300 0.085 0.000 0.989 612 D CA 1.150 55.180 54.000 0.051 0.000 0.827 612 D CB 0.113 40.931 40.800 0.029 0.000 0.966 612 D HN -0.027 nan 8.370 nan 0.000 0.456 613 K N 0.312 120.791 120.400 0.132 0.000 2.063 613 K HA -0.032 4.289 4.320 0.002 0.000 0.208 613 K C 1.849 178.622 176.600 0.288 0.000 1.048 613 K CA 1.627 58.043 56.287 0.215 0.000 0.928 613 K CB -0.747 31.943 32.500 0.317 0.000 0.713 613 K HN 0.143 nan 8.250 nan 0.000 0.442 614 A N 1.044 124.072 122.820 0.346 0.000 1.930 614 A HA -0.199 4.122 4.320 0.002 0.000 0.217 614 A C 2.160 179.864 177.584 0.200 0.000 1.175 614 A CA 1.798 54.053 52.037 0.364 0.000 0.627 614 A CB -0.901 18.329 19.000 0.382 0.000 0.815 614 A HN 0.608 nan 8.150 nan 0.000 0.443 615 N N 0.288 119.070 118.700 0.138 0.000 2.069 615 N HA -0.144 4.598 4.740 0.002 0.000 0.191 615 N C 1.751 177.310 175.510 0.082 0.000 1.031 615 N CA 1.664 54.767 53.050 0.088 0.000 0.852 615 N CB -0.230 38.286 38.487 0.048 0.000 1.018 615 N HN 0.500 nan 8.380 nan 0.000 0.423 616 L N 0.785 122.050 121.223 0.071 0.000 2.201 616 L HA -0.071 4.270 4.340 0.002 0.000 0.212 616 L C 2.040 178.960 176.870 0.083 0.000 1.105 616 L CA 0.541 55.403 54.840 0.037 0.000 0.775 616 L CB -0.157 41.900 42.059 -0.003 0.000 0.913 616 L HN 0.229 nan 8.230 nan 0.000 0.440 617 L N -0.340 120.951 121.223 0.114 0.000 2.591 617 L HA 0.003 4.344 4.340 0.002 0.000 0.228 617 L C 1.196 178.140 176.870 0.125 0.000 1.133 617 L CA 0.588 55.500 54.840 0.121 0.000 0.880 617 L CB -0.595 41.474 42.059 0.018 0.000 1.033 617 L HN 0.513 nan 8.230 nan 0.000 0.450 618 T N -2.788 111.846 114.554 0.134 0.000 4.331 618 T HA -0.247 4.104 4.350 0.002 0.000 0.323 618 T C -0.016 174.742 174.700 0.097 0.000 0.836 618 T CA 0.562 62.734 62.100 0.120 0.000 1.985 618 T CB -2.668 66.284 68.868 0.140 0.000 1.919 618 T HN 0.198 nan 8.240 nan 0.000 0.905 619 L N 1.875 123.165 121.223 0.112 0.000 2.334 619 L HA 0.629 4.970 4.340 0.002 0.000 0.277 619 L C 1.310 178.266 176.870 0.143 0.000 1.075 619 L CA -0.498 54.415 54.840 0.122 0.000 0.804 619 L CB 1.494 43.651 42.059 0.164 0.000 1.174 619 L HN 0.573 nan 8.230 nan 0.000 0.438 620 S N 1.522 117.305 115.700 0.138 0.000 2.624 620 S HA 0.358 4.830 4.470 0.002 0.000 0.263 620 S C 1.102 175.811 174.600 0.182 0.000 1.287 620 S CA -0.153 58.139 58.200 0.153 0.000 0.990 620 S CB 1.521 64.805 63.200 0.139 0.000 0.950 620 S HN 0.698 nan 8.310 nan 0.000 0.561 621 A N 1.254 124.185 122.820 0.185 0.000 1.883 621 A HA 0.057 4.378 4.320 0.002 0.000 0.217 621 A C -0.356 177.375 177.584 0.245 0.000 1.186 621 A CA 1.592 53.751 52.037 0.204 0.000 0.624 621 A CB -2.234 16.870 19.000 0.174 0.000 0.822 621 A HN 0.736 nan 8.150 nan 0.000 0.444 622 P HA -0.147 nan 4.420 nan 0.000 0.215 622 P C 1.146 178.575 177.300 0.215 0.000 1.153 622 P CA 1.543 64.798 63.100 0.259 0.000 0.853 622 P CB -0.073 31.763 31.700 0.227 0.000 0.788 623 E N -0.979 119.328 120.200 0.177 0.000 2.072 623 E HA -0.164 4.187 4.350 0.002 0.000 0.191 623 E C 2.023 178.745 176.600 0.204 0.000 0.985 623 E CA 0.950 57.432 56.400 0.136 0.000 0.801 623 E CB -0.553 29.209 29.700 0.104 0.000 0.750 623 E HN 0.208 nan 8.360 nan 0.000 0.452 624 M N 0.803 120.582 119.600 0.299 0.000 2.108 624 M HA -0.192 4.289 4.480 0.002 0.000 0.261 624 M C 1.979 178.522 176.300 0.405 0.000 1.066 624 M CA 1.672 57.255 55.300 0.472 0.000 1.107 624 M CB -0.174 32.692 32.600 0.445 0.000 1.356 624 M HN 0.021 nan 8.290 nan 0.000 0.406 625 T N 0.135 114.903 114.554 0.358 0.000 2.674 625 T HA -0.161 4.190 4.350 0.002 0.000 0.265 625 T C 1.722 176.536 174.700 0.190 0.000 1.039 625 T CA 1.728 64.004 62.100 0.295 0.000 1.150 625 T CB -0.598 68.528 68.868 0.431 0.000 0.864 625 T HN 0.357 nan 8.240 nan 0.000 0.427 626 V N 1.188 121.157 119.914 0.092 0.000 2.407 626 V HA -0.108 4.014 4.120 0.002 0.000 0.248 626 V C 2.307 178.626 176.094 0.374 0.000 1.055 626 V CA 1.384 63.741 62.300 0.095 0.000 1.049 626 V CB -0.474 31.194 31.823 -0.257 0.000 0.662 626 V HN 0.294 nan 8.190 nan 0.000 0.455 627 L N -0.582 120.789 121.223 0.246 0.000 2.017 627 L HA -0.091 4.250 4.340 0.002 0.000 0.208 627 L C 2.496 179.481 176.870 0.191 0.000 1.073 627 L CA 1.892 56.880 54.840 0.247 0.000 0.745 627 L CB -1.124 41.021 42.059 0.143 0.000 0.894 627 L HN 0.188 nan 8.230 nan 0.000 0.432 628 V N -0.192 119.743 119.914 0.036 0.000 2.255 628 V HA -0.266 3.855 4.120 0.002 0.000 0.247 628 V C 2.576 178.214 176.094 -0.759 0.000 1.051 628 V CA 1.985 64.054 62.300 -0.386 0.000 1.018 628 V CB -1.454 29.966 31.823 -0.672 0.000 0.641 628 V HN 0.577 nan 8.190 nan 0.000 0.445 629 G N -0.334 107.961 108.800 -0.842 0.000 2.440 629 G HA2 -0.184 3.778 3.960 0.002 0.000 0.218 629 G HA3 -0.184 3.778 3.960 0.002 0.000 0.218 629 G C 1.592 176.181 174.900 -0.519 0.000 1.154 629 G CA 1.062 45.440 45.100 -1.202 0.000 0.767 629 G HN 0.613 nan 8.290 nan 0.000 0.552 630 G N 0.660 109.434 108.800 -0.044 0.000 2.394 630 G HA2 -0.073 3.888 3.960 0.002 0.000 0.214 630 G HA3 -0.073 3.888 3.960 0.002 0.000 0.214 630 G C 1.813 176.519 174.900 -0.323 0.000 1.176 630 G CA 0.606 45.548 45.100 -0.264 0.000 0.786 630 G HN 0.410 nan 8.290 nan 0.000 0.533 631 L N -0.069 121.080 121.223 -0.122 0.000 2.083 631 L HA -0.034 4.307 4.340 0.002 0.000 0.209 631 L C 3.191 179.924 176.870 -0.228 0.000 1.083 631 L CA 0.595 55.346 54.840 -0.149 0.000 0.752 631 L CB -0.312 41.630 42.059 -0.195 0.000 0.899 631 L HN 0.055 nan 8.230 nan 0.000 0.433 632 R N 0.193 120.485 120.500 -0.346 0.000 2.080 632 R HA -0.152 4.190 4.340 0.002 0.000 0.236 632 R C 2.234 178.384 176.300 -0.249 0.000 1.137 632 R CA 1.926 57.816 56.100 -0.350 0.000 0.943 632 R CB -1.184 28.773 30.300 -0.571 0.000 0.846 632 R HN 0.454 nan 8.270 nan 0.000 0.431 633 V N -1.442 118.317 119.914 -0.259 0.000 3.041 633 V HA 0.004 4.125 4.120 0.002 0.000 0.260 633 V C 2.103 178.109 176.094 -0.147 0.000 1.105 633 V CA 1.134 63.328 62.300 -0.177 0.000 1.125 633 V CB -0.577 31.143 31.823 -0.171 0.000 0.730 633 V HN 0.105 nan 8.190 nan 0.000 0.479 634 L N 1.337 122.452 121.223 -0.179 0.000 2.478 634 L HA 0.368 4.709 4.340 0.002 0.000 0.223 634 L C 1.926 178.741 176.870 -0.093 0.000 1.140 634 L CA 0.910 55.659 54.840 -0.151 0.000 0.842 634 L CB -0.612 41.331 42.059 -0.194 0.000 0.953 634 L HN 0.645 nan 8.230 nan 0.000 0.452 635 G N -0.398 108.351 108.800 -0.085 0.000 2.132 635 G HA2 -0.292 3.669 3.960 0.002 0.000 0.228 635 G HA3 -0.292 3.669 3.960 0.002 0.000 0.228 635 G C 0.829 175.715 174.900 -0.023 0.000 1.000 635 G CA 0.272 45.344 45.100 -0.046 0.000 0.693 635 G HN 0.409 nan 8.290 nan 0.000 0.515 636 A N -0.502 122.296 122.820 -0.037 0.000 2.206 636 A HA 0.279 4.600 4.320 0.002 0.000 0.211 636 A C 1.253 178.859 177.584 0.037 0.000 1.158 636 A CA 0.798 52.838 52.037 0.006 0.000 0.761 636 A CB -0.164 18.819 19.000 -0.028 0.000 0.801 636 A HN 0.489 nan 8.150 nan 0.000 0.473 637 N N -0.087 118.624 118.700 0.019 0.000 2.353 637 N HA -0.022 4.719 4.740 0.002 0.000 0.248 637 N C -0.255 175.346 175.510 0.152 0.000 1.240 637 N CA 0.185 53.282 53.050 0.078 0.000 0.862 637 N CB -0.169 38.346 38.487 0.046 0.000 1.086 637 N HN 0.405 nan 8.380 nan 0.000 0.453 638 Y N 2.837 123.199 120.300 0.104 0.000 2.805 638 Y HA -0.168 4.384 4.550 0.002 0.000 0.331 638 Y C 0.968 176.934 175.900 0.110 0.000 1.241 638 Y CA 0.497 58.674 58.100 0.129 0.000 1.546 638 Y CB 0.120 38.715 38.460 0.225 0.000 1.248 638 Y HN 0.609 nan 8.280 nan 0.000 0.559 639 K N 4.572 124.732 120.400 -0.400 0.000 3.020 639 K HA -0.359 3.962 4.320 0.002 0.000 0.266 639 K C 0.360 176.892 176.600 -0.112 0.000 1.067 639 K CA 1.134 57.219 56.287 -0.338 0.000 0.780 639 K CB -0.977 31.212 32.500 -0.518 0.000 1.220 639 K HN 0.990 nan 8.250 nan 0.000 0.483 640 R N -0.935 119.540 120.500 -0.041 0.000 3.627 640 R HA -0.196 4.145 4.340 0.002 0.000 0.281 640 R C 0.146 176.457 176.300 0.017 0.000 1.140 640 R CA 0.904 57.002 56.100 -0.002 0.000 0.761 640 R CB -1.523 28.774 30.300 -0.006 0.000 1.181 640 R HN 0.323 nan 8.270 nan 0.000 0.472 641 L N 1.275 122.520 121.223 0.036 0.000 2.485 641 L HA 0.037 4.378 4.340 0.002 0.000 0.275 641 L C -0.589 176.321 176.870 0.068 0.000 1.207 641 L CA -1.006 53.873 54.840 0.066 0.000 0.855 641 L CB 0.222 42.346 42.059 0.109 0.000 1.114 641 L HN -0.013 nan 8.230 nan 0.000 0.485 642 P HA 0.012 nan 4.420 nan 0.000 0.249 642 P C 0.155 177.533 177.300 0.130 0.000 1.229 642 P CA 0.261 63.430 63.100 0.114 0.000 0.788 642 P CB 0.193 31.982 31.700 0.148 0.000 1.072 643 L N 0.485 121.776 121.223 0.114 0.000 2.562 643 L HA 0.187 4.528 4.340 0.002 0.000 0.271 643 L C 1.693 178.526 176.870 -0.060 0.000 1.167 643 L CA 0.922 55.830 54.840 0.114 0.000 0.917 643 L CB -0.925 41.207 42.059 0.121 0.000 1.187 643 L HN 0.199 nan 8.230 nan 0.000 0.482 644 G N 2.510 111.162 108.800 -0.245 0.000 2.184 644 G HA2 -0.262 3.699 3.960 0.002 0.000 0.264 644 G HA3 -0.262 3.699 3.960 0.002 0.000 0.264 644 G C 0.270 174.580 174.900 -0.983 0.000 0.975 644 G CA 0.066 44.606 45.100 -0.933 0.000 0.642 644 G HN 0.445 nan 8.290 nan 0.000 0.536 645 V N 2.100 121.747 119.914 -0.445 0.000 2.055 645 V HA 0.329 4.450 4.120 0.002 0.000 0.248 645 V C 0.397 176.420 176.094 -0.118 0.000 1.476 645 V CA -0.282 61.887 62.300 -0.218 0.000 1.417 645 V CB -0.896 30.908 31.823 -0.031 0.000 1.465 645 V HN 0.246 nan 8.190 nan 0.000 0.502 646 F N 1.823 121.576 119.950 -0.328 0.000 2.659 646 F HA 0.461 4.989 4.527 0.002 0.000 0.360 646 F C 0.886 176.304 175.800 -0.636 0.000 1.218 646 F CA -0.144 57.224 58.000 -1.053 0.000 1.317 646 F CB -0.173 38.136 39.000 -1.153 0.000 1.697 646 F HN 0.315 nan 8.300 nan 0.000 0.637 647 T N -0.831 113.703 114.554 -0.033 0.000 2.894 647 T HA 0.329 4.681 4.350 0.002 0.000 0.309 647 T C 0.572 175.448 174.700 0.294 0.000 1.208 647 T CA -0.285 61.889 62.100 0.124 0.000 1.016 647 T CB 1.757 70.641 68.868 0.026 0.000 1.192 647 T HN 0.234 nan 8.240 nan 0.000 0.491 648 E N 1.399 121.736 120.200 0.228 0.000 2.400 648 E HA 0.448 4.800 4.350 0.002 0.000 0.195 648 E C 0.402 177.062 176.600 0.100 0.000 1.012 648 E CA 0.311 56.813 56.400 0.171 0.000 0.875 648 E CB 0.488 30.269 29.700 0.134 0.000 0.859 648 E HN 0.616 nan 8.360 nan 0.000 0.498 649 A N 0.526 123.392 122.820 0.078 0.000 2.644 649 A HA 0.430 4.752 4.320 0.002 0.000 0.343 649 A C -0.175 177.424 177.584 0.025 0.000 1.324 649 A CA -0.423 51.641 52.037 0.044 0.000 0.846 649 A CB 0.601 19.622 19.000 0.035 0.000 1.128 649 A HN 0.037 nan 8.150 nan 0.000 0.484 650 S N 1.241 116.957 115.700 0.026 0.000 2.579 650 S HA 0.290 4.761 4.470 0.002 0.000 0.275 650 S C 0.757 175.349 174.600 -0.013 0.000 1.345 650 S CA 0.442 58.643 58.200 0.003 0.000 1.031 650 S CB -0.006 63.202 63.200 0.013 0.000 0.892 650 S HN 0.796 nan 8.310 nan 0.000 0.529 651 E N -0.102 120.077 120.200 -0.035 0.000 2.971 651 E HA -0.179 4.172 4.350 0.002 0.000 0.278 651 E C -0.554 176.020 176.600 -0.043 0.000 1.009 651 E CA 0.818 57.191 56.400 -0.045 0.000 0.862 651 E CB -2.025 27.657 29.700 -0.031 0.000 1.436 651 E HN 0.620 nan 8.360 nan 0.000 0.434 652 S N 0.080 115.757 115.700 -0.039 0.000 2.526 652 S HA 0.584 5.055 4.470 0.002 0.000 0.293 652 S C -0.509 174.066 174.600 -0.041 0.000 1.092 652 S CA -1.085 57.100 58.200 -0.025 0.000 0.980 652 S CB 2.121 65.325 63.200 0.006 0.000 1.048 652 S HN 0.171 nan 8.310 nan 0.000 0.483 653 L N 4.483 125.685 121.223 -0.034 0.000 2.375 653 L HA 0.436 4.777 4.340 0.002 0.000 0.276 653 L C 0.382 177.300 176.870 0.080 0.000 1.162 653 L CA 0.541 55.352 54.840 -0.049 0.000 0.991 653 L CB -0.350 41.620 42.059 -0.147 0.000 1.315 653 L HN 1.030 nan 8.230 nan 0.000 0.431 654 T N -0.189 114.393 114.554 0.047 0.000 2.927 654 T HA 0.356 4.707 4.350 0.002 0.000 0.286 654 T C 0.696 175.235 174.700 -0.268 0.000 1.040 654 T CA -0.335 61.776 62.100 0.018 0.000 1.010 654 T CB 0.996 69.866 68.868 0.004 0.000 1.177 654 T HN 0.598 nan 8.240 nan 0.000 0.546 655 N N -0.616 117.879 118.700 -0.343 0.000 2.322 655 N HA 0.065 4.807 4.740 0.002 0.000 0.216 655 N C 0.078 175.515 175.510 -0.121 0.000 1.144 655 N CA -0.430 52.337 53.050 -0.470 0.000 0.830 655 N CB -0.016 38.309 38.487 -0.270 0.000 1.034 655 N HN 0.411 nan 8.380 nan 0.000 0.484 656 D N 1.055 121.373 120.400 -0.136 0.000 2.158 656 D HA -0.206 4.435 4.640 0.002 0.000 0.197 656 D C 1.135 177.355 176.300 -0.133 0.000 0.995 656 D CA 0.866 54.815 54.000 -0.085 0.000 0.846 656 D CB -0.234 40.532 40.800 -0.057 0.000 0.941 656 D HN 0.415 nan 8.370 nan 0.000 0.456 657 F N 0.344 120.044 119.950 -0.416 0.000 2.126 657 F HA -0.234 4.294 4.527 0.002 0.000 0.299 657 F C 1.843 177.372 175.800 -0.453 0.000 1.096 657 F CA 1.454 59.135 58.000 -0.531 0.000 1.255 657 F CB -0.340 38.103 39.000 -0.928 0.000 0.997 657 F HN -0.106 nan 8.300 nan 0.000 0.479 658 F N -0.692 119.205 119.950 -0.088 0.000 2.187 658 F HA -0.086 4.442 4.527 0.002 0.000 0.295 658 F C 2.299 178.020 175.800 -0.132 0.000 1.091 658 F CA 1.052 58.985 58.000 -0.111 0.000 1.308 658 F CB -1.253 37.756 39.000 0.014 0.000 1.030 658 F HN -0.251 nan 8.300 nan 0.000 0.487 659 V N 0.720 120.673 119.914 0.064 0.000 2.255 659 V HA -0.315 3.806 4.120 0.002 0.000 0.247 659 V C 2.124 178.181 176.094 -0.062 0.000 1.051 659 V CA 2.127 64.433 62.300 0.011 0.000 1.018 659 V CB -0.658 31.174 31.823 0.016 0.000 0.641 659 V HN 0.374 nan 8.190 nan 0.000 0.445 660 N N -0.192 118.416 118.700 -0.154 0.000 2.270 660 N HA -0.083 4.659 4.740 0.002 0.000 0.181 660 N C 1.675 176.980 175.510 -0.343 0.000 1.016 660 N CA 0.955 53.856 53.050 -0.248 0.000 0.870 660 N CB -0.328 37.879 38.487 -0.466 0.000 0.979 660 N HN 0.356 nan 8.380 nan 0.000 0.431 661 L N 1.011 121.995 121.223 -0.398 0.000 2.191 661 L HA -0.005 4.336 4.340 0.002 0.000 0.212 661 L C 1.629 178.414 176.870 -0.143 0.000 1.103 661 L CA 1.230 55.856 54.840 -0.357 0.000 0.769 661 L CB -0.178 41.605 42.059 -0.459 0.000 0.908 661 L HN 0.101 nan 8.230 nan 0.000 0.438 662 L N -1.219 119.951 121.223 -0.088 0.000 2.607 662 L HA 0.132 4.473 4.340 0.002 0.000 0.228 662 L C 0.223 177.087 176.870 -0.011 0.000 1.123 662 L CA -0.289 54.535 54.840 -0.026 0.000 0.890 662 L CB -0.342 41.717 42.059 -0.000 0.000 1.103 662 L HN 0.075 nan 8.230 nan 0.000 0.468 663 D N 1.025 121.414 120.400 -0.018 0.000 2.342 663 D HA -0.005 4.636 4.640 0.002 0.000 0.260 663 D C 1.109 177.414 176.300 0.008 0.000 1.278 663 D CA 0.158 54.158 54.000 0.000 0.000 0.910 663 D CB 0.858 41.665 40.800 0.011 0.000 1.079 663 D HN -0.053 nan 8.370 nan 0.000 0.496 664 M N 2.788 122.390 119.600 0.004 0.000 2.686 664 M HA 0.067 4.548 4.480 0.002 0.000 0.246 664 M C 1.785 178.075 176.300 -0.015 0.000 1.096 664 M CA 0.268 55.569 55.300 0.002 0.000 1.076 664 M CB -0.471 32.129 32.600 0.000 0.000 1.504 664 M HN 0.469 nan 8.290 nan 0.000 0.524 665 G N -0.021 108.765 108.800 -0.023 0.000 2.744 665 G HA2 0.063 4.024 3.960 0.002 0.000 0.211 665 G HA3 0.063 4.024 3.960 0.002 0.000 0.211 665 G C 0.710 175.562 174.900 -0.081 0.000 1.143 665 G CA -0.002 45.072 45.100 -0.044 0.000 0.788 665 G HN 0.259 nan 8.290 nan 0.000 0.534 666 I N 1.638 122.153 120.570 -0.091 0.000 2.354 666 I HA 0.280 4.452 4.170 0.002 0.000 0.292 666 I C -0.422 175.566 176.117 -0.216 0.000 0.989 666 I CA -0.245 60.931 61.300 -0.206 0.000 1.188 666 I CB 1.232 39.093 38.000 -0.232 0.000 1.342 666 I HN -0.237 nan 8.210 nan 0.000 0.457 667 T N 5.714 120.109 114.554 -0.264 0.000 2.758 667 T HA 0.357 4.709 4.350 0.002 0.000 0.285 667 T C -0.622 173.944 174.700 -0.223 0.000 0.981 667 T CA -0.335 61.674 62.100 -0.151 0.000 0.965 667 T CB 0.509 69.328 68.868 -0.082 0.000 0.927 667 T HN 0.311 nan 8.240 nan 0.000 0.448 668 W N 2.882 124.183 121.300 0.002 0.000 2.417 668 W HA 0.494 5.156 4.660 0.002 0.000 0.317 668 W C 0.573 177.140 176.519 0.081 0.000 1.121 668 W CA -0.626 56.739 57.345 0.033 0.000 1.208 668 W CB 0.827 30.268 29.460 -0.031 0.000 1.253 668 W HN 0.657 nan 8.180 nan 0.000 0.533 669 E N 2.400 122.852 120.200 0.419 0.000 2.366 669 E HA 0.460 4.811 4.350 0.002 0.000 0.278 669 E C -2.873 173.975 176.600 0.414 0.000 0.923 669 E CA -2.698 53.901 56.400 0.331 0.000 0.761 669 E CB 1.973 31.773 29.700 0.167 0.000 1.231 669 E HN -0.037 nan 8.360 nan 0.000 0.443 670 P HA -0.038 nan 4.420 nan 0.000 0.268 670 P C -0.231 177.065 177.300 -0.005 0.000 1.204 670 P CA -0.058 63.042 63.100 -0.000 0.000 0.768 670 P CB 0.874 32.556 31.700 -0.031 0.000 0.842 671 S N 4.407 120.062 115.700 -0.074 0.000 2.558 671 S HA 0.060 4.531 4.470 0.002 0.000 0.288 671 S C -1.162 173.427 174.600 -0.019 0.000 1.318 671 S CA -0.887 57.306 58.200 -0.012 0.000 1.056 671 S CB -0.329 62.862 63.200 -0.016 0.000 0.853 671 S HN 0.279 nan 8.310 nan 0.000 0.505 672 P HA -0.039 nan 4.420 nan 0.000 0.215 672 P C -0.095 177.202 177.300 -0.006 0.000 1.157 672 P CA 1.236 64.337 63.100 0.002 0.000 0.874 672 P CB -0.068 31.637 31.700 0.008 0.000 0.790 673 A N 1.384 124.201 122.820 -0.005 0.000 2.395 673 A HA 0.123 4.445 4.320 0.002 0.000 0.286 673 A C 0.266 177.834 177.584 -0.026 0.000 1.193 673 A CA -0.388 51.644 52.037 -0.008 0.000 0.852 673 A CB -0.547 18.453 19.000 0.001 0.000 1.118 673 A HN 0.165 nan 8.150 nan 0.000 0.524 674 D N 3.073 123.455 120.400 -0.031 0.000 2.597 674 D HA -0.017 4.625 4.640 0.002 0.000 0.228 674 D C -0.425 175.844 176.300 -0.052 0.000 1.120 674 D CA -0.169 53.799 54.000 -0.053 0.000 1.083 674 D CB 0.268 41.042 40.800 -0.043 0.000 1.116 674 D HN 0.519 nan 8.370 nan 0.000 0.487 675 D N -0.294 120.072 120.400 -0.057 0.000 2.388 675 D HA 0.168 4.809 4.640 0.002 0.000 0.221 675 D C 1.511 177.781 176.300 -0.050 0.000 1.133 675 D CA -0.289 53.689 54.000 -0.036 0.000 0.831 675 D CB -0.165 40.629 40.800 -0.009 0.000 0.962 675 D HN 0.413 nan 8.370 nan 0.000 0.502 676 G N 0.354 109.094 108.800 -0.099 0.000 2.155 676 G HA2 -0.270 3.691 3.960 0.002 0.000 0.257 676 G HA3 -0.270 3.691 3.960 0.002 0.000 0.257 676 G C 0.441 175.269 174.900 -0.120 0.000 0.983 676 G CA 0.778 45.813 45.100 -0.107 0.000 0.676 676 G HN 0.822 nan 8.290 nan 0.000 0.528 677 T N -2.612 111.845 114.554 -0.162 0.000 2.938 677 T HA 0.794 5.145 4.350 0.002 0.000 0.285 677 T C -0.514 174.051 174.700 -0.225 0.000 1.028 677 T CA -0.922 61.149 62.100 -0.047 0.000 1.005 677 T CB 2.433 71.348 68.868 0.079 0.000 1.157 677 T HN 0.473 nan 8.240 nan 0.000 0.550 678 Y N -0.639 119.792 120.300 0.219 0.000 2.553 678 Y HA 0.509 5.060 4.550 0.002 0.000 0.347 678 Y C -0.046 176.131 175.900 0.463 0.000 1.019 678 Y CA -1.120 57.175 58.100 0.324 0.000 1.032 678 Y CB 2.413 41.076 38.460 0.339 0.000 1.284 678 Y HN 0.626 nan 8.280 nan 0.000 0.466 679 Q N 0.917 121.027 119.800 0.517 0.000 2.322 679 Q HA 0.579 4.920 4.340 0.002 0.000 0.265 679 Q C -0.320 175.633 176.000 -0.077 0.000 0.985 679 Q CA -0.897 55.050 55.803 0.239 0.000 0.849 679 Q CB 2.116 30.914 28.738 0.100 0.000 1.274 679 Q HN 0.913 nan 8.270 nan 0.000 0.449 680 G N 2.870 111.286 108.800 -0.641 0.000 2.504 680 G HA2 0.313 4.275 3.960 0.002 0.000 0.326 680 G HA3 0.313 4.275 3.960 0.002 0.000 0.326 680 G C -0.497 174.010 174.900 -0.655 0.000 1.073 680 G CA -0.450 43.847 45.100 -1.340 0.000 1.030 680 G HN 0.349 nan 8.290 nan 0.000 0.448 681 K N 2.045 122.170 120.400 -0.459 0.000 2.130 681 K HA 0.285 4.606 4.320 0.002 0.000 0.268 681 K C -0.106 176.333 176.600 -0.270 0.000 0.983 681 K CA -0.786 55.324 56.287 -0.294 0.000 0.893 681 K CB 1.629 34.020 32.500 -0.183 0.000 1.066 681 K HN 0.682 nan 8.250 nan 0.000 0.450 682 D N 0.780 121.038 120.400 -0.236 0.000 2.440 682 D HA 0.029 4.671 4.640 0.002 0.000 0.269 682 D C 1.201 177.422 176.300 -0.131 0.000 1.249 682 D CA -0.466 53.423 54.000 -0.184 0.000 1.055 682 D CB -0.064 40.623 40.800 -0.187 0.000 1.104 682 D HN 0.506 nan 8.370 nan 0.000 0.561 683 G N -1.157 107.581 108.800 -0.103 0.000 2.448 683 G HA2 -0.219 3.742 3.960 0.002 0.000 0.219 683 G HA3 -0.219 3.742 3.960 0.002 0.000 0.219 683 G C 1.321 176.179 174.900 -0.071 0.000 1.127 683 G CA 0.911 45.966 45.100 -0.076 0.000 0.766 683 G HN 0.450 nan 8.290 nan 0.000 0.552 684 S N -0.100 115.552 115.700 -0.080 0.000 2.489 684 S HA 0.276 4.747 4.470 0.002 0.000 0.228 684 S C 1.935 176.492 174.600 -0.071 0.000 0.995 684 S CA 0.946 59.104 58.200 -0.071 0.000 0.934 684 S CB -0.017 63.137 63.200 -0.076 0.000 0.771 684 S HN 1.313 nan 8.310 nan 0.000 0.522 685 G N 1.107 109.857 108.800 -0.084 0.000 2.157 685 G HA2 -0.264 3.697 3.960 0.002 0.000 0.239 685 G HA3 -0.264 3.697 3.960 0.002 0.000 0.239 685 G C -0.021 174.824 174.900 -0.092 0.000 0.982 685 G CA 0.118 45.170 45.100 -0.080 0.000 0.650 685 G HN 0.464 nan 8.290 nan 0.000 0.527 686 K N 0.797 121.130 120.400 -0.112 0.000 2.234 686 K HA 0.572 4.894 4.320 0.002 0.000 0.282 686 K C 0.723 177.222 176.600 -0.169 0.000 1.039 686 K CA -0.474 55.738 56.287 -0.125 0.000 0.928 686 K CB 1.186 33.609 32.500 -0.128 0.000 1.039 686 K HN 0.094 nan 8.250 nan 0.000 0.470 687 V N 5.810 125.633 119.914 -0.152 0.000 2.425 687 V HA -0.011 4.110 4.120 0.002 0.000 0.276 687 V C 1.131 177.070 176.094 -0.258 0.000 1.017 687 V CA 0.303 62.495 62.300 -0.179 0.000 1.062 687 V CB 0.638 32.403 31.823 -0.097 0.000 0.997 687 V HN 0.784 nan 8.190 nan 0.000 0.476 688 K N 4.986 125.139 120.400 -0.411 0.000 2.168 688 K HA 0.136 4.457 4.320 0.002 0.000 0.201 688 K C -0.114 176.015 176.600 -0.784 0.000 1.049 688 K CA 0.642 56.503 56.287 -0.710 0.000 0.974 688 K CB 0.350 32.293 32.500 -0.929 0.000 0.792 688 K HN 0.618 nan 8.250 nan 0.000 0.463 689 W N 0.062 121.268 121.300 -0.156 0.000 2.962 689 W HA 0.403 5.064 4.660 0.002 0.000 0.341 689 W C -0.729 175.876 176.519 0.143 0.000 1.155 689 W CA -1.129 56.239 57.345 0.038 0.000 1.165 689 W CB 1.517 30.973 29.460 -0.006 0.000 1.435 689 W HN -0.138 nan 8.180 nan 0.000 0.546 690 T N -0.571 114.396 114.554 0.688 0.000 2.908 690 T HA 0.927 5.278 4.350 0.002 0.000 0.290 690 T C -0.396 174.778 174.700 0.790 0.000 1.034 690 T CA -0.748 61.744 62.100 0.654 0.000 1.010 690 T CB 1.916 71.015 68.868 0.385 0.000 1.068 690 T HN 0.818 nan 8.240 nan 0.000 0.481 691 G N 0.469 109.678 108.800 0.681 0.000 2.704 691 G HA2 0.616 4.577 3.960 0.002 0.000 0.293 691 G HA3 0.616 4.577 3.960 0.002 0.000 0.293 691 G C -0.597 174.497 174.900 0.323 0.000 1.421 691 G CA -0.533 44.811 45.100 0.406 0.000 0.870 691 G HN 1.109 nan 8.290 nan 0.000 0.492 692 S N -0.257 115.566 115.700 0.205 0.000 2.719 692 S HA 0.421 4.892 4.470 0.002 0.000 0.285 692 S C 1.327 176.051 174.600 0.208 0.000 1.137 692 S CA -0.700 57.631 58.200 0.218 0.000 1.012 692 S CB 1.681 64.952 63.200 0.119 0.000 1.134 692 S HN 0.625 nan 8.310 nan 0.000 0.544 693 R N -0.438 120.198 120.500 0.226 0.000 2.096 693 R HA -0.047 4.295 4.340 0.002 0.000 0.235 693 R C 2.082 178.382 176.300 0.000 0.000 1.127 693 R CA 1.308 57.484 56.100 0.126 0.000 0.968 693 R CB -1.026 29.356 30.300 0.136 0.000 0.861 693 R HN 0.491 nan 8.270 nan 0.000 0.440 694 V N 1.677 121.607 119.914 0.027 0.000 2.343 694 V HA -0.241 3.881 4.120 0.002 0.000 0.247 694 V C 1.677 177.859 176.094 0.147 0.000 1.051 694 V CA 1.889 64.208 62.300 0.031 0.000 1.036 694 V CB -0.392 31.441 31.823 0.016 0.000 0.654 694 V HN 0.304 nan 8.190 nan 0.000 0.451 695 D N 0.006 120.475 120.400 0.115 0.000 2.117 695 D HA -0.093 4.549 4.640 0.002 0.000 0.198 695 D C 2.132 178.495 176.300 0.105 0.000 0.982 695 D CA 1.167 55.280 54.000 0.189 0.000 0.828 695 D CB -0.048 40.805 40.800 0.089 0.000 0.967 695 D HN 0.339 nan 8.370 nan 0.000 0.464 696 L N 0.740 121.871 121.223 -0.153 0.000 2.240 696 L HA -0.032 4.310 4.340 0.002 0.000 0.211 696 L C 2.544 179.268 176.870 -0.243 0.000 1.106 696 L CA 0.210 54.821 54.840 -0.381 0.000 0.793 696 L CB -0.221 41.404 42.059 -0.724 0.000 0.927 696 L HN -0.080 nan 8.230 nan 0.000 0.446 697 V N -0.051 119.754 119.914 -0.181 0.000 2.568 697 V HA -0.292 3.829 4.120 0.002 0.000 0.253 697 V C 2.214 178.152 176.094 -0.261 0.000 1.072 697 V CA 1.797 63.942 62.300 -0.259 0.000 1.084 697 V CB -0.372 31.245 31.823 -0.342 0.000 0.676 697 V HN 0.255 nan 8.190 nan 0.000 0.469 698 F N 0.742 120.649 119.950 -0.072 0.000 2.293 698 F HA 0.087 4.615 4.527 0.002 0.000 0.300 698 F C 2.261 178.038 175.800 -0.039 0.000 1.086 698 F CA 1.362 59.365 58.000 0.004 0.000 1.375 698 F CB -0.615 38.472 39.000 0.145 0.000 1.045 698 F HN 0.293 nan 8.300 nan 0.000 0.516 699 G N -2.189 106.624 108.800 0.022 0.000 2.662 699 G HA2 -0.082 3.879 3.960 0.002 0.000 0.212 699 G HA3 -0.082 3.879 3.960 0.002 0.000 0.212 699 G C 1.652 176.495 174.900 -0.096 0.000 1.141 699 G CA 0.753 45.820 45.100 -0.056 0.000 0.797 699 G HN 0.333 nan 8.290 nan 0.000 0.531 700 S N 0.086 115.701 115.700 -0.141 0.000 2.412 700 S HA 0.048 4.519 4.470 0.002 0.000 0.223 700 S C 1.045 175.555 174.600 -0.149 0.000 1.048 700 S CA -0.199 57.907 58.200 -0.156 0.000 0.954 700 S CB -0.313 62.769 63.200 -0.197 0.000 0.840 700 S HN 0.374 nan 8.310 nan 0.000 0.503 701 N N 0.917 119.517 118.700 -0.166 0.000 2.475 701 N HA 0.083 4.824 4.740 0.002 0.000 0.267 701 N C 1.133 176.571 175.510 -0.120 0.000 1.169 701 N CA 0.488 53.437 53.050 -0.170 0.000 0.947 701 N CB 1.120 39.477 38.487 -0.217 0.000 1.061 701 N HN 0.324 nan 8.380 nan 0.000 0.466 702 S N 2.557 118.183 115.700 -0.124 0.000 2.399 702 S HA -0.154 4.317 4.470 0.002 0.000 0.231 702 S C 1.201 175.769 174.600 -0.053 0.000 1.022 702 S CA 0.981 59.126 58.200 -0.092 0.000 0.983 702 S CB -0.236 62.894 63.200 -0.118 0.000 0.803 702 S HN 0.725 nan 8.310 nan 0.000 0.480 703 E N 1.099 121.267 120.200 -0.052 0.000 2.122 703 E HA 0.157 4.509 4.350 0.002 0.000 0.190 703 E C 2.037 178.648 176.600 0.018 0.000 0.977 703 E CA 0.737 57.129 56.400 -0.013 0.000 0.820 703 E CB -0.224 29.471 29.700 -0.008 0.000 0.770 703 E HN 0.464 nan 8.360 nan 0.000 0.462 704 L N 0.533 121.752 121.223 -0.006 0.000 2.056 704 L HA -0.098 4.243 4.340 0.002 0.000 0.207 704 L C 2.678 179.639 176.870 0.151 0.000 1.078 704 L CA 0.902 55.782 54.840 0.065 0.000 0.749 704 L CB -0.339 41.663 42.059 -0.096 0.000 0.901 704 L HN 0.057 nan 8.230 nan 0.000 0.433 705 R N 0.497 121.043 120.500 0.077 0.000 2.105 705 R HA -0.202 4.139 4.340 0.002 0.000 0.239 705 R C 2.337 178.686 176.300 0.081 0.000 1.135 705 R CA 1.425 57.577 56.100 0.086 0.000 0.967 705 R CB -0.223 30.088 30.300 0.019 0.000 0.861 705 R HN 0.363 nan 8.270 nan 0.000 0.442 706 A N 0.927 123.779 122.820 0.053 0.000 1.908 706 A HA -0.162 4.159 4.320 0.002 0.000 0.218 706 A C 2.144 179.758 177.584 0.051 0.000 1.181 706 A CA 1.340 53.398 52.037 0.036 0.000 0.627 706 A CB -0.482 18.530 19.000 0.020 0.000 0.818 706 A HN 0.338 nan 8.150 nan 0.000 0.445 707 L N -0.372 120.918 121.223 0.112 0.000 2.109 707 L HA -0.110 4.232 4.340 0.002 0.000 0.207 707 L C 2.649 179.634 176.870 0.192 0.000 1.086 707 L CA 1.293 56.225 54.840 0.154 0.000 0.760 707 L CB -0.642 41.577 42.059 0.266 0.000 0.910 707 L HN 0.424 nan 8.230 nan 0.000 0.437 708 V N -1.530 118.543 119.914 0.265 0.000 2.667 708 V HA -0.179 3.943 4.120 0.002 0.000 0.252 708 V C 1.961 178.148 176.094 0.154 0.000 1.065 708 V CA 1.545 64.037 62.300 0.320 0.000 1.083 708 V CB -0.378 31.748 31.823 0.506 0.000 0.692 708 V HN 0.464 nan 8.190 nan 0.000 0.468 709 E N 0.208 120.457 120.200 0.081 0.000 2.268 709 E HA -0.092 4.259 4.350 0.002 0.000 0.195 709 E C 2.208 178.780 176.600 -0.047 0.000 0.995 709 E CA 1.281 57.694 56.400 0.021 0.000 0.836 709 E CB -0.058 29.648 29.700 0.011 0.000 0.763 709 E HN 0.632 nan 8.360 nan 0.000 0.491 710 V N 0.157 119.997 119.914 -0.124 0.000 2.283 710 V HA -0.242 3.879 4.120 0.002 0.000 0.243 710 V C 1.569 177.456 176.094 -0.345 0.000 1.039 710 V CA 1.679 63.804 62.300 -0.292 0.000 1.016 710 V CB -0.464 31.058 31.823 -0.503 0.000 0.650 710 V HN 0.312 nan 8.190 nan 0.000 0.449 711 Y N 0.550 120.725 120.300 -0.208 0.000 2.546 711 Y HA 0.196 4.747 4.550 0.002 0.000 0.287 711 Y C 2.228 177.995 175.900 -0.221 0.000 1.158 711 Y CA 0.620 58.508 58.100 -0.353 0.000 1.307 711 Y CB -0.196 37.692 38.460 -0.953 0.000 1.036 711 Y HN 0.299 nan 8.280 nan 0.000 0.532 712 G N -0.363 108.458 108.800 0.036 0.000 3.088 712 G HA2 0.314 4.275 3.960 0.002 0.000 0.217 712 G HA3 0.314 4.275 3.960 0.002 0.000 0.217 712 G C 0.622 175.549 174.900 0.046 0.000 1.159 712 G CA 0.261 45.422 45.100 0.102 0.000 0.760 712 G HN 0.291 nan 8.290 nan 0.000 0.550 713 A N 0.512 123.339 122.820 0.011 0.000 2.366 713 A HA 0.392 4.713 4.320 0.002 0.000 0.249 713 A C 1.135 178.731 177.584 0.020 0.000 1.084 713 A CA -0.047 51.993 52.037 0.004 0.000 0.794 713 A CB 0.438 19.426 19.000 -0.021 0.000 1.034 713 A HN 0.091 nan 8.150 nan 0.000 0.491 714 D N 0.311 120.722 120.400 0.019 0.000 2.182 714 D HA -0.141 4.501 4.640 0.002 0.000 0.201 714 D C 0.979 177.301 176.300 0.036 0.000 0.986 714 D CA 1.907 55.923 54.000 0.027 0.000 0.847 714 D CB -0.029 40.783 40.800 0.020 0.000 0.942 714 D HN 0.738 nan 8.370 nan 0.000 0.467 715 D N -0.609 119.807 120.400 0.028 0.000 2.328 715 D HA 0.126 4.767 4.640 0.002 0.000 0.221 715 D C 1.227 177.557 176.300 0.050 0.000 1.072 715 D CA 0.082 54.102 54.000 0.034 0.000 0.850 715 D CB -0.100 40.711 40.800 0.018 0.000 0.922 715 D HN 0.089 nan 8.370 nan 0.000 0.516 716 A N -0.118 122.738 122.820 0.060 0.000 2.267 716 A HA 0.033 4.354 4.320 0.002 0.000 0.213 716 A C 2.043 179.731 177.584 0.173 0.000 1.192 716 A CA -0.052 52.035 52.037 0.083 0.000 0.851 716 A CB -0.162 18.862 19.000 0.040 0.000 0.881 716 A HN 0.085 nan 8.150 nan 0.000 0.494 717 Q N 0.080 119.984 119.800 0.173 0.000 2.030 717 Q HA -0.157 4.185 4.340 0.002 0.000 0.204 717 Q C -0.590 175.537 176.000 0.213 0.000 0.986 717 Q CA 2.060 58.003 55.803 0.233 0.000 0.843 717 Q CB -1.089 27.808 28.738 0.265 0.000 0.904 717 Q HN 0.467 nan 8.270 nan 0.000 0.420 718 P HA -0.191 nan 4.420 nan 0.000 0.215 718 P C 1.054 178.410 177.300 0.094 0.000 1.157 718 P CA 1.403 64.585 63.100 0.137 0.000 0.868 718 P CB -0.141 31.649 31.700 0.151 0.000 0.788 719 K N -0.940 119.538 120.400 0.131 0.000 2.057 719 K HA -0.193 4.129 4.320 0.002 0.000 0.207 719 K C 2.058 178.792 176.600 0.224 0.000 1.049 719 K CA 1.295 57.669 56.287 0.145 0.000 0.931 719 K CB -0.742 31.829 32.500 0.118 0.000 0.714 719 K HN -0.024 nan 8.250 nan 0.000 0.440 720 F N 1.383 121.434 119.950 0.169 0.000 2.095 720 F HA -0.214 4.314 4.527 0.002 0.000 0.298 720 F C 1.731 177.549 175.800 0.030 0.000 1.104 720 F CA 1.518 59.591 58.000 0.121 0.000 1.232 720 F CB -0.551 38.493 39.000 0.075 0.000 0.987 720 F HN -0.175 nan 8.300 nan 0.000 0.475 721 V N 0.755 120.485 119.914 -0.306 0.000 2.295 721 V HA -0.343 3.778 4.120 0.002 0.000 0.246 721 V C 2.511 178.464 176.094 -0.234 0.000 1.049 721 V CA 2.335 64.380 62.300 -0.424 0.000 1.024 721 V CB -0.969 30.625 31.823 -0.382 0.000 0.648 721 V HN 0.518 nan 8.190 nan 0.000 0.447 722 Q N -0.284 119.450 119.800 -0.110 0.000 2.050 722 Q HA -0.263 4.079 4.340 0.002 0.000 0.202 722 Q C 1.963 177.939 176.000 -0.041 0.000 0.980 722 Q CA 2.204 57.982 55.803 -0.041 0.000 0.840 722 Q CB -0.116 28.627 28.738 0.008 0.000 0.898 722 Q HN 0.636 nan 8.270 nan 0.000 0.424 723 D N -0.298 120.081 120.400 -0.035 0.000 2.144 723 D HA -0.138 4.503 4.640 0.002 0.000 0.200 723 D C 1.478 177.712 176.300 -0.110 0.000 0.978 723 D CA 0.731 54.717 54.000 -0.023 0.000 0.833 723 D CB -0.340 40.512 40.800 0.088 0.000 0.961 723 D HN 0.271 nan 8.370 nan 0.000 0.470 724 F N 1.204 120.912 119.950 -0.403 0.000 2.134 724 F HA -0.204 4.325 4.527 0.002 0.000 0.299 724 F C 2.098 177.806 175.800 -0.153 0.000 1.097 724 F CA 1.033 58.800 58.000 -0.388 0.000 1.264 724 F CB -0.109 38.433 39.000 -0.763 0.000 1.001 724 F HN -0.209 nan 8.300 nan 0.000 0.479 725 V N 0.428 120.314 119.914 -0.047 0.000 2.358 725 V HA -0.268 3.854 4.120 0.002 0.000 0.246 725 V C 2.722 178.814 176.094 -0.004 0.000 1.047 725 V CA 1.657 63.956 62.300 -0.003 0.000 1.035 725 V CB -1.447 30.392 31.823 0.026 0.000 0.658 725 V HN 0.483 nan 8.190 nan 0.000 0.452 726 A N 0.077 122.876 122.820 -0.034 0.000 1.902 726 A HA -0.122 4.199 4.320 0.002 0.000 0.217 726 A C 2.418 179.967 177.584 -0.058 0.000 1.181 726 A CA 2.132 54.152 52.037 -0.029 0.000 0.623 726 A CB -0.780 18.209 19.000 -0.018 0.000 0.818 726 A HN 0.559 nan 8.150 nan 0.000 0.443 727 A N -1.290 121.470 122.820 -0.101 0.000 1.898 727 A HA -0.155 4.166 4.320 0.002 0.000 0.216 727 A C 2.103 179.606 177.584 -0.135 0.000 1.181 727 A CA 1.322 53.289 52.037 -0.116 0.000 0.620 727 A CB -0.891 18.032 19.000 -0.127 0.000 0.819 727 A HN 0.866 nan 8.150 nan 0.000 0.442 728 W N 1.111 122.164 121.300 -0.413 0.000 2.335 728 W HA -0.226 4.435 4.660 0.002 0.000 0.311 728 W C 1.526 177.943 176.519 -0.171 0.000 1.213 728 W CA 2.320 59.465 57.345 -0.333 0.000 1.274 728 W CB -0.461 28.719 29.460 -0.466 0.000 1.148 728 W HN 0.494 nan 8.180 nan 0.000 0.498 729 D N 0.543 120.929 120.400 -0.023 0.000 2.123 729 D HA -0.255 4.386 4.640 0.002 0.000 0.196 729 D C 2.190 178.364 176.300 -0.209 0.000 0.992 729 D CA 2.199 56.143 54.000 -0.093 0.000 0.833 729 D CB -0.395 40.405 40.800 0.000 0.000 0.954 729 D HN 0.132 nan 8.370 nan 0.000 0.455 730 K N -0.196 120.093 120.400 -0.184 0.000 2.032 730 K HA -0.141 4.180 4.320 0.002 0.000 0.209 730 K C 2.005 178.422 176.600 -0.305 0.000 1.048 730 K CA 1.479 57.641 56.287 -0.209 0.000 0.927 730 K CB -0.137 32.277 32.500 -0.144 0.000 0.712 730 K HN 0.042 nan 8.250 nan 0.000 0.441 731 V N 1.326 121.030 119.914 -0.351 0.000 2.358 731 V HA -0.251 3.870 4.120 0.002 0.000 0.246 731 V C 2.437 178.203 176.094 -0.547 0.000 1.047 731 V CA 1.459 63.483 62.300 -0.459 0.000 1.035 731 V CB -0.376 31.146 31.823 -0.501 0.000 0.658 731 V HN 0.412 nan 8.190 nan 0.000 0.452 732 M N 0.251 119.493 119.600 -0.597 0.000 2.267 732 M HA -0.113 4.368 4.480 0.002 0.000 0.263 732 M C 1.441 177.508 176.300 -0.389 0.000 1.063 732 M CA 1.430 56.427 55.300 -0.505 0.000 1.090 732 M CB -1.235 31.095 32.600 -0.450 0.000 1.392 732 M HN 0.383 nan 8.290 nan 0.000 0.422 733 N N -0.164 118.299 118.700 -0.395 0.000 2.205 733 N HA 0.198 4.939 4.740 0.002 0.000 0.201 733 N C 1.602 176.798 175.510 -0.524 0.000 1.128 733 N CA 0.059 52.874 53.050 -0.391 0.000 0.867 733 N CB 0.294 38.586 38.487 -0.325 0.000 0.996 733 N HN 0.334 nan 8.380 nan 0.000 0.503 734 L N 0.926 121.767 121.223 -0.636 0.000 2.013 734 L HA -0.222 4.119 4.340 0.002 0.000 0.212 734 L C 1.484 177.597 176.870 -1.261 0.000 1.073 734 L CA 1.599 55.838 54.840 -1.002 0.000 0.753 734 L CB -0.277 41.034 42.059 -1.246 0.000 0.890 734 L HN 0.168 nan 8.230 nan 0.000 0.432 735 D N -1.505 118.382 120.400 -0.857 0.000 2.339 735 D HA -0.085 4.557 4.640 0.002 0.000 0.217 735 D C 0.985 177.127 176.300 -0.263 0.000 1.050 735 D CA 0.051 53.848 54.000 -0.339 0.000 0.856 735 D CB -0.141 40.693 40.800 0.056 0.000 0.922 735 D HN 0.034 nan 8.370 nan 0.000 0.518 736 R N 0.816 121.018 120.500 -0.496 0.000 4.792 736 R HA 0.147 4.488 4.340 0.002 0.000 0.205 736 R C 0.113 176.214 176.300 -0.331 0.000 1.875 736 R CA -0.312 55.591 56.100 -0.328 0.000 1.588 736 R CB -1.402 28.711 30.300 -0.311 0.000 1.401 736 R HN 0.266 nan 8.270 nan 0.000 0.834 737 F N 0.767 120.685 119.950 -0.053 0.000 2.604 737 F HA -0.124 4.405 4.527 0.002 0.000 0.298 737 F C 2.007 177.797 175.800 -0.017 0.000 1.131 737 F CA 0.816 58.805 58.000 -0.018 0.000 1.457 737 F CB 0.028 39.046 39.000 0.030 0.000 1.095 737 F HN 0.251 nan 8.300 nan 0.000 0.574 738 D N 0.576 121.037 120.400 0.101 0.000 2.310 738 D HA -0.108 4.533 4.640 0.002 0.000 0.212 738 D C 1.427 177.727 176.300 -0.001 0.000 0.965 738 D CA 1.417 55.444 54.000 0.045 0.000 0.879 738 D CB -0.549 40.262 40.800 0.017 0.000 0.921 738 D HN 0.355 nan 8.370 nan 0.000 0.510 739 V N -2.102 117.788 119.914 -0.040 0.000 3.276 739 V HA 0.361 4.482 4.120 0.002 0.000 0.319 739 V C 0.648 176.706 176.094 -0.060 0.000 1.427 739 V CA -0.743 61.520 62.300 -0.063 0.000 1.102 739 V CB -0.724 31.037 31.823 -0.104 0.000 1.020 739 V HN 0.133 nan 8.190 nan 0.000 0.456 740 R N 0.000 120.480 120.500 -0.033 0.000 2.786 740 R HA 0.000 4.341 4.340 0.002 0.000 0.208 740 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 740 R CB 0.000 30.275 30.300 -0.041 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535