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 2ccd_1_A 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 TGTGKDAITT 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 0.000 176.253 176.300 -0.078 0.000 1.140 26 M CA 0.000 55.206 55.300 -0.156 0.000 0.988 26 M CB 0.000 32.495 32.600 -0.174 0.000 1.302 27 K N -0.532 119.830 120.400 -0.063 0.000 2.350 27 K HA 0.595 4.914 4.320 -0.001 0.000 0.241 27 K C -1.464 175.144 176.600 0.013 0.000 0.994 27 K CA -0.726 55.570 56.287 0.016 0.000 0.839 27 K CB 1.571 34.094 32.500 0.038 0.000 1.244 27 K HN 0.046 nan 8.250 nan 0.000 0.443 28 Y N 1.317 121.620 120.300 0.004 0.000 2.578 28 Y HA -0.051 4.498 4.550 -0.001 0.000 0.339 28 Y C -1.495 174.415 175.900 0.017 0.000 1.231 28 Y CA -0.907 57.202 58.100 0.015 0.000 1.461 28 Y CB 0.285 38.751 38.460 0.010 0.000 1.323 28 Y HN 0.558 nan 8.280 nan 0.000 0.590 29 P HA -0.230 nan 4.420 nan 0.000 0.215 29 P C 1.714 179.080 177.300 0.110 0.000 1.157 29 P CA 1.344 64.512 63.100 0.114 0.000 0.868 29 P CB 0.110 31.868 31.700 0.097 0.000 0.788 30 V N -0.051 119.940 119.914 0.129 0.000 2.794 30 V HA -0.216 3.904 4.120 -0.001 0.000 0.260 30 V C 1.738 177.866 176.094 0.057 0.000 1.103 30 V CA 1.952 64.298 62.300 0.076 0.000 1.125 30 V CB -0.838 31.015 31.823 0.050 0.000 0.702 30 V HN 0.161 nan 8.190 nan 0.000 0.494 31 E N -1.870 118.382 120.200 0.087 0.000 2.562 31 E HA 0.289 4.638 4.350 -0.001 0.000 0.214 31 E C 1.228 177.861 176.600 0.056 0.000 0.979 31 E CA 0.644 57.081 56.400 0.061 0.000 1.002 31 E CB 0.867 30.612 29.700 0.074 0.000 1.048 31 E HN 0.609 nan 8.360 nan 0.000 0.488 32 G N 0.376 109.213 108.800 0.061 0.000 2.229 32 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.189 32 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.189 32 G C 0.518 175.440 174.900 0.037 0.000 1.000 32 G CA -0.320 44.806 45.100 0.043 0.000 0.663 32 G HN 0.395 nan 8.290 nan 0.000 0.493 33 G N 0.173 108.998 108.800 0.043 0.000 2.441 33 G HA2 0.668 4.628 3.960 -0.001 0.000 0.243 33 G HA3 0.668 4.628 3.960 -0.001 0.000 0.243 33 G C 0.486 175.414 174.900 0.048 0.000 1.281 33 G CA 0.675 45.787 45.100 0.020 0.000 0.854 33 G HN 1.485 nan 8.290 nan 0.000 0.560 34 G N 0.319 109.151 108.800 0.053 0.000 2.548 34 G HA2 0.300 4.260 3.960 -0.001 0.000 0.301 34 G HA3 0.300 4.260 3.960 -0.001 0.000 0.301 34 G C 0.437 175.449 174.900 0.186 0.000 1.349 34 G CA -0.531 44.637 45.100 0.114 0.000 0.792 34 G HN 0.368 nan 8.290 nan 0.000 0.481 35 N N -0.657 118.199 118.700 0.260 0.000 2.381 35 N HA -0.096 4.643 4.740 -0.001 0.000 0.182 35 N C 1.964 177.736 175.510 0.436 0.000 1.025 35 N CA 0.858 54.177 53.050 0.449 0.000 0.888 35 N CB 0.142 38.881 38.487 0.420 0.000 0.965 35 N HN 0.489 nan 8.380 nan 0.000 0.438 36 Q N 1.042 120.987 119.800 0.241 0.000 2.226 36 Q HA -0.089 4.251 4.340 -0.001 0.000 0.204 36 Q C 0.934 176.979 176.000 0.075 0.000 0.975 36 Q CA 1.139 57.046 55.803 0.172 0.000 0.866 36 Q CB 0.039 28.839 28.738 0.103 0.000 0.915 36 Q HN 0.249 nan 8.270 nan 0.000 0.440 37 D N -1.564 118.820 120.400 -0.028 0.000 2.178 37 D HA -0.145 4.494 4.640 -0.001 0.000 0.202 37 D C 1.060 177.100 176.300 -0.434 0.000 0.974 37 D CA 0.890 54.741 54.000 -0.249 0.000 0.841 37 D CB -0.216 40.362 40.800 -0.370 0.000 0.953 37 D HN 0.411 nan 8.370 nan 0.000 0.478 38 W N -0.530 120.590 121.300 -0.301 0.000 2.576 38 W HA 0.069 4.728 4.660 -0.001 0.000 0.275 38 W C 0.586 176.587 176.519 -0.863 0.000 1.241 38 W CA -0.085 56.795 57.345 -0.775 0.000 1.328 38 W CB 0.345 28.920 29.460 -1.475 0.000 1.092 38 W HN -0.116 nan 8.180 nan 0.000 0.586 39 W N 0.714 122.141 121.300 0.212 0.000 2.423 39 W HA 0.250 4.910 4.660 -0.001 0.000 0.286 39 W C -2.140 174.428 176.519 0.082 0.000 1.001 39 W CA -1.895 55.529 57.345 0.131 0.000 1.643 39 W CB 0.211 29.742 29.460 0.118 0.000 1.593 39 W HN -0.215 nan 8.180 nan 0.000 0.403 40 P HA -0.208 nan 4.420 nan 0.000 0.216 40 P C 1.225 178.603 177.300 0.130 0.000 1.154 40 P CA 1.945 65.106 63.100 0.102 0.000 0.865 40 P CB 0.414 32.139 31.700 0.042 0.000 0.789 41 N N -0.997 117.797 118.700 0.157 0.000 2.336 41 N HA 0.006 4.745 4.740 -0.001 0.000 0.189 41 N C 0.571 176.235 175.510 0.258 0.000 1.113 41 N CA 0.042 53.188 53.050 0.159 0.000 0.858 41 N CB -0.291 38.261 38.487 0.108 0.000 0.970 41 N HN 0.331 nan 8.380 nan 0.000 0.471 42 R N 0.406 121.039 120.500 0.222 0.000 2.734 42 R HA 0.050 4.390 4.340 -0.001 0.000 0.266 42 R C 0.001 176.345 176.300 0.075 0.000 1.044 42 R CA -0.522 55.664 56.100 0.143 0.000 1.128 42 R CB 0.355 30.723 30.300 0.112 0.000 1.010 42 R HN -0.158 nan 8.270 nan 0.000 0.461 43 L N 2.584 123.720 121.223 -0.145 0.000 2.628 43 L HA -0.071 4.268 4.340 -0.001 0.000 0.274 43 L C -0.120 176.678 176.870 -0.120 0.000 1.209 43 L CA 0.898 55.557 54.840 -0.301 0.000 0.930 43 L CB -0.299 41.507 42.059 -0.422 0.000 1.183 43 L HN 0.698 nan 8.230 nan 0.000 0.492 44 N N 4.561 123.222 118.700 -0.064 0.000 2.558 44 N HA 0.143 4.883 4.740 -0.001 0.000 0.233 44 N C 0.660 176.136 175.510 -0.056 0.000 1.038 44 N CA -0.137 52.897 53.050 -0.027 0.000 0.934 44 N CB 0.374 38.866 38.487 0.009 0.000 1.175 44 N HN 0.662 nan 8.380 nan 0.000 0.512 45 L N 2.273 123.466 121.223 -0.050 0.000 2.465 45 L HA -0.011 4.328 4.340 -0.001 0.000 0.224 45 L C 1.611 178.433 176.870 -0.080 0.000 1.145 45 L CA 0.635 55.453 54.840 -0.037 0.000 0.834 45 L CB -0.111 41.953 42.059 0.007 0.000 0.944 45 L HN 0.484 nan 8.230 nan 0.000 0.451 46 K N 0.217 120.515 120.400 -0.169 0.000 2.442 46 K HA -0.075 4.245 4.320 -0.001 0.000 0.198 46 K C 1.861 178.211 176.600 -0.417 0.000 1.042 46 K CA 0.967 56.930 56.287 -0.540 0.000 0.958 46 K CB -0.066 32.219 32.500 -0.358 0.000 0.766 46 K HN 0.337 nan 8.250 nan 0.000 0.474 47 V N -1.499 118.305 119.914 -0.184 0.000 3.305 47 V HA -0.062 4.057 4.120 -0.001 0.000 0.269 47 V C 1.319 177.374 176.094 -0.065 0.000 1.157 47 V CA 1.216 63.454 62.300 -0.104 0.000 1.157 47 V CB -0.675 31.119 31.823 -0.047 0.000 0.772 47 V HN 0.205 nan 8.190 nan 0.000 0.498 48 L N 1.560 122.743 121.223 -0.068 0.000 2.667 48 L HA 0.314 4.653 4.340 -0.001 0.000 0.232 48 L C 1.096 178.031 176.870 0.108 0.000 1.138 48 L CA 0.152 55.018 54.840 0.043 0.000 0.921 48 L CB -0.262 41.854 42.059 0.096 0.000 1.180 48 L HN 0.662 nan 8.230 nan 0.000 0.487 49 H N -1.812 117.289 119.070 0.051 0.000 2.616 49 H HA 0.354 4.910 4.556 -0.001 0.000 0.229 49 H C -0.585 174.770 175.328 0.045 0.000 1.418 49 H CA -0.542 55.536 56.048 0.050 0.000 1.248 49 H CB 0.012 29.802 29.762 0.047 0.000 1.822 49 H HN 0.226 nan 8.280 nan 0.000 0.522 50 Q N 1.209 121.043 119.800 0.056 0.000 2.327 50 Q HA 0.092 4.431 4.340 -0.001 0.000 0.254 50 Q C -0.189 175.865 176.000 0.091 0.000 0.952 50 Q CA -0.402 55.427 55.803 0.043 0.000 0.884 50 Q CB 0.913 29.660 28.738 0.016 0.000 1.224 50 Q HN 0.556 nan 8.270 nan 0.000 0.422 51 N N 1.591 120.344 118.700 0.088 0.000 2.667 51 N HA -0.142 4.598 4.740 -0.001 0.000 0.263 51 N C -2.598 172.998 175.510 0.143 0.000 1.038 51 N CA -0.192 52.935 53.050 0.128 0.000 0.749 51 N CB -0.422 38.151 38.487 0.144 0.000 0.892 51 N HN 0.359 nan 8.380 nan 0.000 0.546 52 P HA 0.117 nan 4.420 nan 0.000 0.274 52 P C 0.562 177.909 177.300 0.078 0.000 1.231 52 P CA -0.133 63.030 63.100 0.106 0.000 0.790 52 P CB 0.893 32.648 31.700 0.092 0.000 0.951 53 A N 2.606 125.462 122.820 0.061 0.000 1.948 53 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 53 A C 2.142 179.722 177.584 -0.006 0.000 1.177 53 A CA 2.029 54.089 52.037 0.038 0.000 0.636 53 A CB -1.541 17.481 19.000 0.037 0.000 0.815 53 A HN 0.444 nan 8.150 nan 0.000 0.449 54 V N -0.422 119.489 119.914 -0.005 0.000 2.490 54 V HA -0.116 4.003 4.120 -0.001 0.000 0.250 54 V C 2.572 178.636 176.094 -0.049 0.000 1.061 54 V CA 2.193 64.477 62.300 -0.028 0.000 1.064 54 V CB -0.584 31.227 31.823 -0.019 0.000 0.670 54 V HN 0.595 nan 8.190 nan 0.000 0.461 55 A N -0.817 121.987 122.820 -0.027 0.000 2.119 55 A HA -0.012 4.307 4.320 -0.001 0.000 0.216 55 A C 1.208 178.698 177.584 -0.157 0.000 1.152 55 A CA 0.819 52.836 52.037 -0.033 0.000 0.708 55 A CB -0.352 18.676 19.000 0.047 0.000 0.805 55 A HN 0.607 nan 8.150 nan 0.000 0.460 56 D N -0.008 120.254 120.400 -0.229 0.000 2.277 56 D HA 0.284 4.923 4.640 -0.001 0.000 0.249 56 D C -1.719 174.254 176.300 -0.546 0.000 1.134 56 D CA -1.877 51.791 54.000 -0.553 0.000 0.863 56 D CB 1.442 42.111 40.800 -0.220 0.000 1.143 56 D HN 0.099 nan 8.370 nan 0.000 0.458 57 P HA 0.061 nan 4.420 nan 0.000 0.261 57 P C 1.011 178.068 177.300 -0.405 0.000 1.268 57 P CA 0.048 62.839 63.100 -0.516 0.000 0.833 57 P CB 0.354 31.725 31.700 -0.548 0.000 1.231 58 M N -0.481 118.853 119.600 -0.443 0.000 2.558 58 M HA 0.242 4.721 4.480 -0.001 0.000 0.255 58 M C 1.092 177.301 176.300 -0.152 0.000 1.113 58 M CA 0.365 55.432 55.300 -0.388 0.000 1.097 58 M CB -1.500 30.752 32.600 -0.581 0.000 1.426 58 M HN 0.039 nan 8.290 nan 0.000 0.488 59 G N 0.007 108.755 108.800 -0.086 0.000 2.733 59 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.686 59 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.686 59 G C 0.656 175.604 174.900 0.081 0.000 1.373 59 G CA -0.133 44.966 45.100 -0.001 0.000 0.838 59 G HN 0.464 nan 8.290 nan 0.000 0.588 60 A N 0.534 123.395 122.820 0.069 0.000 2.019 60 A HA 0.349 4.668 4.320 -0.001 0.000 0.219 60 A C 2.700 180.354 177.584 0.116 0.000 1.164 60 A CA 2.663 54.752 52.037 0.086 0.000 0.644 60 A CB -0.420 18.613 19.000 0.055 0.000 0.805 60 A HN 2.459 nan 8.150 nan 0.000 0.449 61 A N -1.735 121.160 122.820 0.125 0.000 2.251 61 A HA 0.384 4.703 4.320 -0.001 0.000 0.209 61 A C 0.516 178.196 177.584 0.160 0.000 1.187 61 A CA -0.368 51.738 52.037 0.115 0.000 0.823 61 A CB -0.463 18.591 19.000 0.091 0.000 0.846 61 A HN 0.412 nan 8.150 nan 0.000 0.486 62 F N 1.082 121.070 119.950 0.064 0.000 2.484 62 F HA 0.420 4.947 4.527 -0.001 0.000 0.360 62 F C -0.153 175.715 175.800 0.114 0.000 1.101 62 F CA -0.744 57.311 58.000 0.092 0.000 1.251 62 F CB 0.685 39.751 39.000 0.110 0.000 1.132 62 F HN 0.152 nan 8.300 nan 0.000 0.570 63 D N 4.842 124.849 120.400 -0.656 0.000 2.386 63 D HA 0.059 4.699 4.640 -0.001 0.000 0.247 63 D C 0.150 176.075 176.300 -0.626 0.000 1.336 63 D CA -0.439 53.312 54.000 -0.415 0.000 0.976 63 D CB 0.057 40.744 40.800 -0.188 0.000 1.257 63 D HN 0.477 nan 8.370 nan 0.000 0.570 64 Y N 4.218 124.157 120.300 -0.601 0.000 2.165 64 Y HA -0.155 4.394 4.550 -0.001 0.000 0.286 64 Y C 2.026 177.827 175.900 -0.165 0.000 1.155 64 Y CA 2.446 60.347 58.100 -0.331 0.000 1.164 64 Y CB -0.351 38.124 38.460 0.025 0.000 0.978 64 Y HN 0.488 nan 8.280 nan 0.000 0.513 65 A N 0.573 123.277 122.820 -0.193 0.000 1.927 65 A HA -0.251 4.068 4.320 -0.001 0.000 0.220 65 A C 2.502 179.934 177.584 -0.253 0.000 1.185 65 A CA 2.551 54.460 52.037 -0.213 0.000 0.639 65 A CB -1.625 17.340 19.000 -0.058 0.000 0.820 65 A HN 0.647 nan 8.150 nan 0.000 0.451 66 A N -0.588 122.098 122.820 -0.223 0.000 1.902 66 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 66 A C 1.989 179.443 177.584 -0.217 0.000 1.181 66 A CA 1.724 53.649 52.037 -0.187 0.000 0.623 66 A CB -0.435 18.469 19.000 -0.160 0.000 0.818 66 A HN 0.552 nan 8.150 nan 0.000 0.443 67 E N -0.527 119.501 120.200 -0.286 0.000 2.015 67 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 67 E C 2.147 178.582 176.600 -0.276 0.000 0.991 67 E CA 1.311 57.584 56.400 -0.210 0.000 0.802 67 E CB -1.010 28.635 29.700 -0.092 0.000 0.759 67 E HN 0.350 nan 8.360 nan 0.000 0.447 68 V N 1.524 121.124 119.914 -0.525 0.000 2.594 68 V HA -0.151 3.968 4.120 -0.001 0.000 0.253 68 V C 2.135 177.993 176.094 -0.393 0.000 1.069 68 V CA 1.658 63.643 62.300 -0.525 0.000 1.082 68 V CB -0.518 30.837 31.823 -0.781 0.000 0.680 68 V HN 0.274 nan 8.190 nan 0.000 0.469 69 A N -0.203 122.438 122.820 -0.298 0.000 2.178 69 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 69 A C 2.179 179.660 177.584 -0.170 0.000 1.157 69 A CA 2.009 53.926 52.037 -0.201 0.000 0.689 69 A CB -0.652 18.262 19.000 -0.143 0.000 0.787 69 A HN 0.743 nan 8.150 nan 0.000 0.465 70 T N -3.545 110.906 114.554 -0.172 0.000 3.044 70 T HA 0.369 4.719 4.350 -0.001 0.000 0.260 70 T C 0.553 175.183 174.700 -0.118 0.000 1.019 70 T CA -0.293 61.736 62.100 -0.118 0.000 0.921 70 T CB -0.364 68.454 68.868 -0.082 0.000 1.053 70 T HN 0.283 nan 8.240 nan 0.000 0.533 71 I N 2.770 123.228 120.570 -0.186 0.000 2.648 71 I HA 0.116 4.285 4.170 -0.001 0.000 0.284 71 I C -0.237 175.775 176.117 -0.175 0.000 1.153 71 I CA -0.118 61.075 61.300 -0.178 0.000 1.426 71 I CB 0.615 38.432 38.000 -0.304 0.000 1.381 71 I HN 0.092 nan 8.210 nan 0.000 0.571 72 D N 6.733 127.092 120.400 -0.069 0.000 2.374 72 D HA 0.052 4.691 4.640 -0.001 0.000 0.240 72 D C 0.968 177.211 176.300 -0.095 0.000 1.229 72 D CA -0.045 53.930 54.000 -0.042 0.000 0.895 72 D CB 1.188 42.017 40.800 0.049 0.000 1.046 72 D HN 0.351 nan 8.370 nan 0.000 0.498 73 V N 3.845 123.688 119.914 -0.120 0.000 2.343 73 V HA -0.211 3.908 4.120 -0.001 0.000 0.247 73 V C 1.681 177.795 176.094 0.033 0.000 1.051 73 V CA 1.578 63.828 62.300 -0.084 0.000 1.036 73 V CB -0.170 31.637 31.823 -0.026 0.000 0.654 73 V HN 0.534 nan 8.190 nan 0.000 0.451 74 D N 0.126 120.548 120.400 0.037 0.000 2.224 74 D HA -0.040 4.600 4.640 -0.001 0.000 0.205 74 D C 2.164 178.498 176.300 0.057 0.000 0.965 74 D CA 1.379 55.413 54.000 0.057 0.000 0.852 74 D CB -0.096 40.731 40.800 0.045 0.000 0.947 74 D HN 0.463 nan 8.370 nan 0.000 0.494 75 A N 0.844 123.700 122.820 0.060 0.000 1.929 75 A HA -0.085 4.235 4.320 -0.001 0.000 0.216 75 A C 2.109 179.763 177.584 0.116 0.000 1.176 75 A CA 0.694 52.800 52.037 0.116 0.000 0.628 75 A CB -0.485 18.625 19.000 0.185 0.000 0.816 75 A HN 0.230 nan 8.150 nan 0.000 0.444 76 L N -0.294 120.891 121.223 -0.063 0.000 2.005 76 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 76 L C 2.326 179.181 176.870 -0.025 0.000 1.072 76 L CA 2.928 57.585 54.840 -0.305 0.000 0.744 76 L CB -1.300 40.496 42.059 -0.438 0.000 0.895 76 L HN 0.305 nan 8.230 nan 0.000 0.433 77 T N -0.376 114.226 114.554 0.080 0.000 2.684 77 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 77 T C 2.065 176.785 174.700 0.034 0.000 1.036 77 T CA 1.869 64.007 62.100 0.064 0.000 1.148 77 T CB -0.231 68.694 68.868 0.096 0.000 0.863 77 T HN 0.300 nan 8.240 nan 0.000 0.436 78 R N 0.577 121.107 120.500 0.052 0.000 2.096 78 R HA -0.084 4.256 4.340 -0.001 0.000 0.235 78 R C 2.058 178.395 176.300 0.062 0.000 1.127 78 R CA 1.570 57.702 56.100 0.053 0.000 0.968 78 R CB -0.126 30.209 30.300 0.058 0.000 0.861 78 R HN 0.321 nan 8.270 nan 0.000 0.440 79 D N -0.217 120.234 120.400 0.086 0.000 2.194 79 D HA -0.047 4.593 4.640 -0.001 0.000 0.204 79 D C 1.686 178.040 176.300 0.091 0.000 0.964 79 D CA 0.820 54.885 54.000 0.107 0.000 0.846 79 D CB 0.060 40.978 40.800 0.196 0.000 0.962 79 D HN 0.192 nan 8.370 nan 0.000 0.490 80 I N 0.932 121.542 120.570 0.067 0.000 2.179 80 I HA -0.228 3.942 4.170 -0.001 0.000 0.242 80 I C 2.022 178.197 176.117 0.097 0.000 1.088 80 I CA 1.198 62.539 61.300 0.070 0.000 1.357 80 I CB -0.242 37.758 38.000 0.000 0.000 1.051 80 I HN -0.009 nan 8.210 nan 0.000 0.409 81 E N 0.311 120.544 120.200 0.055 0.000 2.265 81 E HA -0.266 4.084 4.350 -0.001 0.000 0.196 81 E C 1.998 178.612 176.600 0.024 0.000 0.996 81 E CA 0.921 57.344 56.400 0.037 0.000 0.832 81 E CB -0.058 29.655 29.700 0.022 0.000 0.756 81 E HN 0.491 nan 8.360 nan 0.000 0.491 82 E N 0.465 120.695 120.200 0.050 0.000 2.112 82 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 82 E C 2.000 178.649 176.600 0.082 0.000 0.979 82 E CA 0.547 56.976 56.400 0.049 0.000 0.814 82 E CB 0.319 30.053 29.700 0.058 0.000 0.762 82 E HN 0.044 nan 8.360 nan 0.000 0.460 83 V N 1.111 121.106 119.914 0.134 0.000 2.427 83 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 83 V C 2.398 178.664 176.094 0.288 0.000 1.051 83 V CA 1.580 64.011 62.300 0.217 0.000 1.048 83 V CB -0.329 31.648 31.823 0.257 0.000 0.666 83 V HN 0.384 nan 8.190 nan 0.000 0.456 84 M N 0.326 120.057 119.600 0.218 0.000 2.296 84 M HA -0.116 4.363 4.480 -0.001 0.000 0.265 84 M C 1.890 178.084 176.300 -0.178 0.000 1.064 84 M CA 2.011 57.378 55.300 0.110 0.000 1.109 84 M CB -0.324 32.290 32.600 0.023 0.000 1.396 84 M HN 0.620 nan 8.290 nan 0.000 0.430 85 T N -4.541 109.911 114.554 -0.171 0.000 3.054 85 T HA 0.135 4.484 4.350 -0.001 0.000 0.255 85 T C 0.408 175.041 174.700 -0.111 0.000 1.035 85 T CA -0.233 61.726 62.100 -0.236 0.000 0.941 85 T CB -0.103 68.633 68.868 -0.219 0.000 1.026 85 T HN -0.011 nan 8.240 nan 0.000 0.533 86 T N 2.580 117.131 114.554 -0.005 0.000 2.929 86 T HA 0.486 4.836 4.350 -0.001 0.000 0.331 86 T C -0.101 174.653 174.700 0.090 0.000 1.120 86 T CA -0.351 61.773 62.100 0.040 0.000 0.973 86 T CB 1.053 69.971 68.868 0.083 0.000 1.036 86 T HN 0.298 nan 8.240 nan 0.000 0.502 87 S N 3.498 119.179 115.700 -0.031 0.000 2.564 87 S HA 0.222 4.691 4.470 -0.001 0.000 0.278 87 S C -0.223 174.389 174.600 0.021 0.000 1.333 87 S CA -0.535 57.630 58.200 -0.059 0.000 1.048 87 S CB 0.331 63.442 63.200 -0.148 0.000 0.900 87 S HN 0.476 nan 8.310 nan 0.000 0.505 88 Q N 4.059 123.864 119.800 0.007 0.000 2.333 88 Q HA 0.322 4.662 4.340 -0.001 0.000 0.267 88 Q C -1.719 174.097 176.000 -0.306 0.000 1.012 88 Q CA -2.249 53.398 55.803 -0.261 0.000 0.824 88 Q CB 1.604 29.901 28.738 -0.735 0.000 1.290 88 Q HN 0.481 nan 8.270 nan 0.000 0.449 89 P HA -0.131 nan 4.420 nan 0.000 0.220 89 P C 0.815 178.162 177.300 0.078 0.000 1.148 89 P CA 1.387 64.482 63.100 -0.008 0.000 0.803 89 P CB 0.004 31.760 31.700 0.094 0.000 0.782 90 W N -2.922 118.486 121.300 0.180 0.000 3.047 90 W HA 0.158 4.817 4.660 -0.001 0.000 0.250 90 W C 0.334 177.080 176.519 0.379 0.000 1.314 90 W CA -0.214 57.258 57.345 0.212 0.000 1.540 90 W CB -0.778 28.786 29.460 0.173 0.000 1.127 90 W HN -0.022 nan 8.180 nan 0.000 0.679 91 W N 3.095 124.351 121.300 -0.073 0.000 1.582 91 W HA 0.223 4.883 4.660 -0.001 0.000 0.315 91 W C -2.915 173.623 176.519 0.032 0.000 0.995 91 W CA -1.711 55.638 57.345 0.007 0.000 1.145 91 W CB 0.421 29.912 29.460 0.051 0.000 1.208 91 W HN -0.362 nan 8.180 nan 0.000 0.346 92 P HA 0.011 nan 4.420 nan 0.000 0.266 92 P C -0.104 177.226 177.300 0.050 0.000 1.193 92 P CA 0.777 63.850 63.100 -0.046 0.000 0.770 92 P CB 0.801 32.409 31.700 -0.153 0.000 0.836 93 A N 2.595 125.342 122.820 -0.121 0.000 2.320 93 A HA 0.209 4.529 4.320 -0.001 0.000 0.287 93 A C -0.105 177.253 177.584 -0.376 0.000 1.181 93 A CA -0.399 51.333 52.037 -0.508 0.000 0.831 93 A CB -0.285 17.953 19.000 -1.270 0.000 1.102 93 A HN 0.416 nan 8.150 nan 0.000 0.513 94 D N 1.799 122.006 120.400 -0.322 0.000 2.450 94 D HA 0.177 4.817 4.640 -0.001 0.000 0.247 94 D C 0.067 176.118 176.300 -0.415 0.000 1.162 94 D CA 1.094 54.728 54.000 -0.610 0.000 0.879 94 D CB -0.210 40.486 40.800 -0.172 0.000 1.163 94 D HN 0.533 nan 8.370 nan 0.000 0.472 95 Y N 0.183 120.157 120.300 -0.542 0.000 4.324 95 Y HA -0.277 4.272 4.550 -0.001 0.000 0.224 95 Y C 1.539 177.311 175.900 -0.213 0.000 1.113 95 Y CA 0.497 58.413 58.100 -0.306 0.000 1.887 95 Y CB -1.913 36.445 38.460 -0.169 0.000 1.602 95 Y HN 0.732 nan 8.280 nan 0.000 0.654 96 G N -0.396 108.276 108.800 -0.212 0.000 2.225 96 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.267 96 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.267 96 G C -0.367 174.433 174.900 -0.168 0.000 1.024 96 G CA 0.584 45.569 45.100 -0.191 0.000 0.784 96 G HN 0.893 nan 8.290 nan 0.000 0.507 97 H N -1.785 117.125 119.070 -0.268 0.000 3.149 97 H HA 0.338 4.894 4.556 -0.001 0.000 0.334 97 H C 0.042 175.235 175.328 -0.225 0.000 1.000 97 H CA -0.958 54.970 56.048 -0.200 0.000 1.415 97 H CB 0.701 30.427 29.762 -0.060 0.000 1.819 97 H HN 0.046 nan 8.280 nan 0.000 0.486 98 Y N 2.727 123.043 120.300 0.026 0.000 2.578 98 Y HA 0.034 4.583 4.550 -0.001 0.000 0.297 98 Y C 2.236 177.949 175.900 -0.312 0.000 1.176 98 Y CA 0.896 58.833 58.100 -0.271 0.000 1.315 98 Y CB -0.046 38.011 38.460 -0.671 0.000 1.031 98 Y HN 0.793 nan 8.280 nan 0.000 0.524 99 G N 1.427 110.404 108.800 0.295 0.000 2.514 99 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 99 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 99 G C -0.436 174.471 174.900 0.011 0.000 1.198 99 G CA 0.910 46.074 45.100 0.107 0.000 0.780 99 G HN 0.275 nan 8.290 nan 0.000 0.565 100 P HA -0.075 nan 4.420 nan 0.000 0.216 100 P C 2.014 179.449 177.300 0.225 0.000 1.150 100 P CA 0.572 63.751 63.100 0.132 0.000 0.837 100 P CB -0.126 31.711 31.700 0.227 0.000 0.786 101 L N -1.914 119.430 121.223 0.202 0.000 2.127 101 L HA -0.135 4.205 4.340 -0.001 0.000 0.211 101 L C 1.874 178.956 176.870 0.354 0.000 1.089 101 L CA 1.948 56.933 54.840 0.242 0.000 0.757 101 L CB -0.972 41.202 42.059 0.192 0.000 0.899 101 L HN -0.140 nan 8.230 nan 0.000 0.434 102 F N -0.894 119.183 119.950 0.211 0.000 2.416 102 F HA 0.079 4.606 4.527 -0.001 0.000 0.296 102 F C 2.269 178.189 175.800 0.201 0.000 1.099 102 F CA 0.316 58.420 58.000 0.174 0.000 1.427 102 F CB -0.717 38.371 39.000 0.146 0.000 1.079 102 F HN 0.043 nan 8.300 nan 0.000 0.536 103 I N -0.358 120.431 120.570 0.364 0.000 2.353 103 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 103 I C 2.690 179.131 176.117 0.541 0.000 1.119 103 I CA 0.992 62.512 61.300 0.367 0.000 1.417 103 I CB -0.373 37.685 38.000 0.096 0.000 1.078 103 I HN 0.017 nan 8.210 nan 0.000 0.421 104 R N 1.179 121.957 120.500 0.462 0.000 2.092 104 R HA -0.174 4.165 4.340 -0.001 0.000 0.231 104 R C 2.382 178.900 176.300 0.363 0.000 1.119 104 R CA 1.312 57.720 56.100 0.514 0.000 0.970 104 R CB -0.165 30.354 30.300 0.366 0.000 0.864 104 R HN 0.302 nan 8.270 nan 0.000 0.440 105 M N 0.085 119.860 119.600 0.292 0.000 2.086 105 M HA -0.124 4.355 4.480 -0.001 0.000 0.261 105 M C 2.096 178.507 176.300 0.185 0.000 1.067 105 M CA 2.134 57.544 55.300 0.183 0.000 1.116 105 M CB -0.150 32.573 32.600 0.205 0.000 1.348 105 M HN 0.272 nan 8.290 nan 0.000 0.407 106 A N 0.372 123.361 122.820 0.281 0.000 1.969 106 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 106 A C 2.047 179.744 177.584 0.188 0.000 1.169 106 A CA 1.377 53.550 52.037 0.226 0.000 0.635 106 A CB -1.430 17.792 19.000 0.370 0.000 0.810 106 A HN 0.934 nan 8.150 nan 0.000 0.445 107 W N -0.058 121.395 121.300 0.255 0.000 2.418 107 W HA -0.140 4.519 4.660 -0.001 0.000 0.292 107 W C 1.666 178.298 176.519 0.188 0.000 1.213 107 W CA 1.592 59.070 57.345 0.223 0.000 1.283 107 W CB -0.601 29.117 29.460 0.431 0.000 1.119 107 W HN 0.553 nan 8.180 nan 0.000 0.542 108 H N 0.459 119.236 119.070 -0.489 0.000 2.428 108 H HA -0.034 4.521 4.556 -0.001 0.000 0.296 108 H C 2.470 177.524 175.328 -0.456 0.000 1.062 108 H CA 1.284 56.947 56.048 -0.641 0.000 1.350 108 H CB -0.024 29.541 29.762 -0.328 0.000 1.403 108 H HN 0.238 nan 8.280 nan 0.000 0.533 109 A N 0.908 123.626 122.820 -0.170 0.000 1.929 109 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 109 A C 2.477 179.930 177.584 -0.217 0.000 1.176 109 A CA 1.259 53.188 52.037 -0.180 0.000 0.628 109 A CB -0.362 18.575 19.000 -0.106 0.000 0.816 109 A HN 0.405 nan 8.150 nan 0.000 0.444 110 A N -0.942 121.735 122.820 -0.238 0.000 2.081 110 A HA 0.358 4.677 4.320 -0.001 0.000 0.214 110 A C 2.100 179.542 177.584 -0.238 0.000 1.158 110 A CA 1.129 53.029 52.037 -0.228 0.000 0.724 110 A CB -0.748 18.099 19.000 -0.254 0.000 0.826 110 A HN 0.663 nan 8.150 nan 0.000 0.463 111 G N -0.239 108.280 108.800 -0.467 0.000 2.848 111 G HA2 0.028 3.987 3.960 -0.001 0.000 0.208 111 G HA3 0.028 3.987 3.960 -0.001 0.000 0.208 111 G C 1.322 175.817 174.900 -0.675 0.000 1.152 111 G CA 1.466 46.106 45.100 -0.766 0.000 0.789 111 G HN 0.610 nan 8.290 nan 0.000 0.531 112 T N -3.096 111.227 114.554 -0.386 0.000 3.100 112 T HA 0.118 4.467 4.350 -0.001 0.000 0.253 112 T C 0.919 175.640 174.700 0.035 0.000 1.118 112 T CA -0.608 61.361 62.100 -0.218 0.000 1.058 112 T CB -0.275 68.418 68.868 -0.293 0.000 0.953 112 T HN 0.166 nan 8.240 nan 0.000 0.515 113 Y N 4.548 124.790 120.300 -0.097 0.000 2.712 113 Y HA 0.231 4.781 4.550 -0.001 0.000 0.333 113 Y C 0.588 176.497 175.900 0.014 0.000 1.225 113 Y CA -0.647 57.434 58.100 -0.033 0.000 1.499 113 Y CB 0.505 38.924 38.460 -0.069 0.000 1.288 113 Y HN 0.297 nan 8.280 nan 0.000 0.575 114 R N 6.795 126.911 120.500 -0.640 0.000 2.795 114 R HA 0.341 4.680 4.340 -0.001 0.000 0.275 114 R C 0.209 176.087 176.300 -0.703 0.000 0.981 114 R CA -0.232 55.588 56.100 -0.467 0.000 0.917 114 R CB 0.769 30.982 30.300 -0.146 0.000 1.202 114 R HN 0.873 nan 8.270 nan 0.000 0.469 115 I N -1.529 118.861 120.570 -0.301 0.000 2.500 115 I HA -0.049 4.120 4.170 -0.001 0.000 0.252 115 I C 2.020 178.082 176.117 -0.092 0.000 1.142 115 I CA 0.981 62.185 61.300 -0.159 0.000 1.451 115 I CB -0.520 37.504 38.000 0.040 0.000 1.093 115 I HN 0.733 nan 8.210 nan 0.000 0.430 116 H N 2.347 121.336 119.070 -0.135 0.000 2.352 116 H HA -0.201 4.354 4.556 -0.001 0.000 0.299 116 H C 1.454 176.712 175.328 -0.118 0.000 1.097 116 H CA 2.452 58.441 56.048 -0.097 0.000 1.311 116 H CB 0.025 29.743 29.762 -0.074 0.000 1.377 116 H HN 0.720 nan 8.280 nan 0.000 0.504 117 D N -3.269 117.042 120.400 -0.149 0.000 2.514 117 D HA 0.146 4.785 4.640 -0.001 0.000 0.225 117 D C 1.561 177.740 176.300 -0.201 0.000 1.159 117 D CA 0.670 54.554 54.000 -0.193 0.000 0.823 117 D CB -0.215 40.505 40.800 -0.135 0.000 1.097 117 D HN 0.434 nan 8.370 nan 0.000 0.519 118 G N 0.961 109.597 108.800 -0.274 0.000 2.162 118 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.260 118 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.260 118 G C 0.368 175.139 174.900 -0.216 0.000 0.976 118 G CA 0.310 45.237 45.100 -0.287 0.000 0.655 118 G HN 0.461 nan 8.290 nan 0.000 0.533 119 R N 0.051 120.413 120.500 -0.230 0.000 2.652 119 R HA 0.554 4.893 4.340 -0.001 0.000 0.271 119 R C 1.301 177.536 176.300 -0.108 0.000 1.129 119 R CA 0.352 56.356 56.100 -0.160 0.000 1.200 119 R CB 0.105 30.270 30.300 -0.225 0.000 1.146 119 R HN 1.428 nan 8.270 nan 0.000 0.581 120 G N -0.767 108.041 108.800 0.013 0.000 2.750 120 G HA2 0.144 4.103 3.960 -0.001 0.000 0.228 120 G HA3 0.144 4.103 3.960 -0.001 0.000 0.228 120 G C 0.083 175.067 174.900 0.140 0.000 1.367 120 G CA -0.374 44.834 45.100 0.181 0.000 0.871 120 G HN 1.175 nan 8.290 nan 0.000 0.560 121 G N -2.921 105.939 108.800 0.100 0.000 2.663 121 G HA2 0.458 4.418 3.960 -0.001 0.000 0.686 121 G HA3 0.458 4.418 3.960 -0.001 0.000 0.686 121 G C 0.915 175.778 174.900 -0.062 0.000 1.288 121 G CA 0.876 45.999 45.100 0.040 0.000 0.836 121 G HN 2.464 nan 8.290 nan 0.000 0.584 122 A N 0.076 122.818 122.820 -0.132 0.000 2.168 122 A HA 0.417 4.736 4.320 -0.001 0.000 0.215 122 A C 2.825 180.334 177.584 -0.125 0.000 1.152 122 A CA 2.064 54.015 52.037 -0.144 0.000 0.716 122 A CB -0.795 18.092 19.000 -0.188 0.000 0.794 122 A HN 2.509 nan 8.150 nan 0.000 0.465 123 G N 0.283 109.012 108.800 -0.119 0.000 2.606 123 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.221 123 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.221 123 G C 1.291 176.145 174.900 -0.077 0.000 1.152 123 G CA 1.302 46.339 45.100 -0.104 0.000 0.765 123 G HN 0.894 nan 8.290 nan 0.000 0.595 124 G N -1.065 107.702 108.800 -0.056 0.000 3.277 124 G HA2 0.448 4.407 3.960 -0.001 0.000 0.243 124 G HA3 0.448 4.407 3.960 -0.001 0.000 0.243 124 G C 0.994 175.859 174.900 -0.058 0.000 1.107 124 G CA 0.471 45.542 45.100 -0.049 0.000 0.771 124 G HN 1.465 nan 8.290 nan 0.000 0.544 125 G N 0.813 109.571 108.800 -0.071 0.000 2.314 125 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.292 125 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.292 125 G C 1.036 175.857 174.900 -0.130 0.000 1.059 125 G CA 0.443 45.487 45.100 -0.092 0.000 0.982 125 G HN 0.211 nan 8.290 nan 0.000 0.505 126 M N -0.655 118.891 119.600 -0.089 0.000 2.506 126 M HA 0.062 4.542 4.480 -0.001 0.000 0.260 126 M C 2.267 178.476 176.300 -0.151 0.000 1.104 126 M CA 1.104 56.383 55.300 -0.036 0.000 1.112 126 M CB -0.373 32.232 32.600 0.008 0.000 1.401 126 M HN 0.618 nan 8.290 nan 0.000 0.473 127 Q N 1.256 120.922 119.800 -0.224 0.000 2.291 127 Q HA -0.162 4.177 4.340 -0.001 0.000 0.206 127 Q C 1.932 177.749 176.000 -0.305 0.000 0.976 127 Q CA 1.115 56.759 55.803 -0.265 0.000 0.875 127 Q CB 0.084 28.691 28.738 -0.219 0.000 0.927 127 Q HN 0.576 nan 8.270 nan 0.000 0.450 128 R N -1.252 118.985 120.500 -0.439 0.000 2.236 128 R HA 0.022 4.361 4.340 -0.001 0.000 0.208 128 R C -0.123 175.767 176.300 -0.684 0.000 1.036 128 R CA 0.196 55.902 56.100 -0.656 0.000 1.001 128 R CB 0.063 29.801 30.300 -0.936 0.000 0.896 128 R HN -0.028 nan 8.270 nan 0.000 0.464 129 F N 1.004 120.833 119.950 -0.201 0.000 2.535 129 F HA 0.602 5.128 4.527 -0.001 0.000 0.367 129 F C 0.698 176.416 175.800 -0.137 0.000 1.096 129 F CA -1.456 56.453 58.000 -0.152 0.000 1.088 129 F CB 0.413 39.343 39.000 -0.116 0.000 1.387 129 F HN -0.067 nan 8.300 nan 0.000 0.494 130 A N 1.112 124.025 122.820 0.155 0.000 2.351 130 A HA 0.466 4.785 4.320 -0.001 0.000 0.257 130 A C -1.858 175.777 177.584 0.085 0.000 1.087 130 A CA -1.034 51.051 52.037 0.079 0.000 0.798 130 A CB -0.237 18.817 19.000 0.090 0.000 1.033 130 A HN 0.557 nan 8.150 nan 0.000 0.488 131 P HA 0.051 nan 4.420 nan 0.000 0.251 131 P C 1.209 178.416 177.300 -0.154 0.000 1.223 131 P CA 0.324 63.503 63.100 0.131 0.000 0.796 131 P CB 0.055 32.002 31.700 0.413 0.000 1.068 132 L N 1.182 122.079 121.223 -0.543 0.000 2.081 132 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 132 L C 2.335 178.954 176.870 -0.418 0.000 1.080 132 L CA 2.183 56.458 54.840 -0.941 0.000 0.754 132 L CB -1.318 40.225 42.059 -0.858 0.000 0.893 132 L HN 0.214 nan 8.230 nan 0.000 0.433 133 N N -1.319 117.250 118.700 -0.218 0.000 2.573 133 N HA -0.119 4.621 4.740 -0.001 0.000 0.187 133 N C 0.896 176.413 175.510 0.012 0.000 1.107 133 N CA 0.815 53.798 53.050 -0.112 0.000 0.918 133 N CB 0.057 38.454 38.487 -0.150 0.000 0.966 133 N HN 0.118 nan 8.380 nan 0.000 0.448 134 S N -0.725 114.980 115.700 0.008 0.000 2.952 134 S HA 0.140 4.609 4.470 -0.001 0.000 0.251 134 S C -0.847 173.758 174.600 0.007 0.000 1.021 134 S CA -0.810 57.379 58.200 -0.019 0.000 1.067 134 S CB -0.009 63.099 63.200 -0.154 0.000 1.002 134 S HN 0.279 nan 8.310 nan 0.000 0.574 135 W N 3.212 124.383 121.300 -0.215 0.000 2.181 135 W HA 0.287 4.946 4.660 -0.001 0.000 0.335 135 W C -2.033 174.336 176.519 -0.251 0.000 1.310 135 W CA -1.852 55.242 57.345 -0.418 0.000 1.226 135 W CB -0.036 29.262 29.460 -0.269 0.000 1.155 135 W HN 0.101 nan 8.180 nan 0.000 0.565 136 P HA -0.195 nan 4.420 nan 0.000 0.218 136 P C 1.125 178.345 177.300 -0.132 0.000 1.148 136 P CA 1.719 64.731 63.100 -0.147 0.000 0.822 136 P CB 0.358 31.961 31.700 -0.162 0.000 0.784 137 D N -1.578 118.808 120.400 -0.024 0.000 2.348 137 D HA -0.053 4.586 4.640 -0.001 0.000 0.216 137 D C 0.816 177.193 176.300 0.130 0.000 0.970 137 D CA 0.675 54.734 54.000 0.098 0.000 0.889 137 D CB -0.507 40.384 40.800 0.152 0.000 0.912 137 D HN -0.016 nan 8.370 nan 0.000 0.524 138 N N 0.056 118.778 118.700 0.037 0.000 2.251 138 N HA 0.182 4.922 4.740 -0.001 0.000 0.217 138 N C -0.429 174.839 175.510 -0.403 0.000 1.124 138 N CA -0.082 52.925 53.050 -0.071 0.000 0.843 138 N CB 0.509 39.017 38.487 0.035 0.000 1.024 138 N HN 0.003 nan 8.380 nan 0.000 0.501 139 A N 0.363 122.671 122.820 -0.854 0.000 2.548 139 A HA 0.334 4.653 4.320 -0.001 0.000 0.247 139 A C 0.911 178.017 177.584 -0.797 0.000 1.067 139 A CA 0.350 51.354 52.037 -1.721 0.000 0.757 139 A CB -0.009 17.922 19.000 -1.782 0.000 0.996 139 A HN 0.313 nan 8.150 nan 0.000 0.504 140 S N 0.401 115.724 115.700 -0.628 0.000 2.541 140 S HA -0.159 4.310 4.470 -0.001 0.000 0.262 140 S C 0.901 175.332 174.600 -0.281 0.000 1.321 140 S CA 0.909 58.862 58.200 -0.412 0.000 1.243 140 S CB -2.195 60.847 63.200 -0.264 0.000 1.531 140 S HN 0.705 nan 8.310 nan 0.000 0.656 141 L N 2.024 123.129 121.223 -0.197 0.000 2.217 141 L HA -0.098 4.242 4.340 -0.001 0.000 0.211 141 L C 2.633 179.464 176.870 -0.065 0.000 1.107 141 L CA 1.669 56.453 54.840 -0.093 0.000 0.783 141 L CB -0.657 41.344 42.059 -0.097 0.000 0.919 141 L HN 0.531 nan 8.230 nan 0.000 0.442 142 D N 0.859 121.241 120.400 -0.031 0.000 2.123 142 D HA -0.246 4.394 4.640 -0.001 0.000 0.196 142 D C 1.769 178.012 176.300 -0.094 0.000 0.992 142 D CA 1.482 55.455 54.000 -0.045 0.000 0.833 142 D CB -0.152 40.677 40.800 0.047 0.000 0.954 142 D HN 0.202 nan 8.370 nan 0.000 0.455 143 K N 0.840 121.137 120.400 -0.172 0.000 2.167 143 K HA 0.198 4.517 4.320 -0.001 0.000 0.203 143 K C 2.296 178.914 176.600 0.030 0.000 1.052 143 K CA 1.112 57.334 56.287 -0.108 0.000 0.956 143 K CB -0.377 31.792 32.500 -0.550 0.000 0.735 143 K HN 0.235 nan 8.250 nan 0.000 0.451 144 A N 1.387 124.202 122.820 -0.009 0.000 1.933 144 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 144 A C 1.955 179.680 177.584 0.235 0.000 1.175 144 A CA 1.481 53.646 52.037 0.214 0.000 0.628 144 A CB -0.325 18.817 19.000 0.237 0.000 0.814 144 A HN 0.213 nan 8.150 nan 0.000 0.444 145 R N -1.474 119.078 120.500 0.087 0.000 2.119 145 R HA 0.008 4.348 4.340 -0.001 0.000 0.222 145 R C 2.291 178.698 176.300 0.179 0.000 1.088 145 R CA 1.052 57.196 56.100 0.074 0.000 0.984 145 R CB -0.217 30.015 30.300 -0.113 0.000 0.884 145 R HN 0.370 nan 8.270 nan 0.000 0.447 146 R N 1.514 122.099 120.500 0.141 0.000 2.120 146 R HA -0.040 4.299 4.340 -0.001 0.000 0.234 146 R C 1.844 178.430 176.300 0.476 0.000 1.123 146 R CA 1.200 57.437 56.100 0.228 0.000 0.975 146 R CB -0.501 29.835 30.300 0.061 0.000 0.866 146 R HN 0.192 nan 8.270 nan 0.000 0.446 147 L N -0.361 121.144 121.223 0.471 0.000 2.201 147 L HA -0.080 4.259 4.340 -0.001 0.000 0.212 147 L C 1.656 178.740 176.870 0.357 0.000 1.105 147 L CA 0.819 55.904 54.840 0.407 0.000 0.775 147 L CB -0.176 41.979 42.059 0.160 0.000 0.913 147 L HN 0.185 nan 8.230 nan 0.000 0.440 148 L N -1.320 120.093 121.223 0.317 0.000 2.591 148 L HA -0.095 4.244 4.340 -0.001 0.000 0.228 148 L C 2.087 179.120 176.870 0.270 0.000 1.133 148 L CA 0.045 55.006 54.840 0.201 0.000 0.880 148 L CB -0.354 41.735 42.059 0.050 0.000 1.033 148 L HN 0.481 nan 8.230 nan 0.000 0.450 149 W N 2.939 124.422 121.300 0.305 0.000 2.335 149 W HA -0.176 4.484 4.660 -0.001 0.000 0.311 149 W C -1.038 175.562 176.519 0.135 0.000 1.213 149 W CA 1.246 58.763 57.345 0.287 0.000 1.274 149 W CB -1.193 28.451 29.460 0.306 0.000 1.148 149 W HN 0.118 nan 8.180 nan 0.000 0.498 150 P HA -0.178 nan 4.420 nan 0.000 0.219 150 P C 1.790 178.924 177.300 -0.277 0.000 1.146 150 P CA 1.794 64.670 63.100 -0.373 0.000 0.808 150 P CB -0.204 31.459 31.700 -0.062 0.000 0.779 151 V N 0.175 120.010 119.914 -0.133 0.000 2.323 151 V HA -0.218 3.902 4.120 -0.001 0.000 0.244 151 V C 2.482 178.527 176.094 -0.081 0.000 1.041 151 V CA 1.910 64.196 62.300 -0.023 0.000 1.025 151 V CB -1.031 30.785 31.823 -0.012 0.000 0.656 151 V HN 0.070 nan 8.190 nan 0.000 0.451 152 K N 0.884 121.095 120.400 -0.316 0.000 2.057 152 K HA -0.200 4.120 4.320 -0.001 0.000 0.207 152 K C 2.186 178.540 176.600 -0.410 0.000 1.049 152 K CA 1.668 57.711 56.287 -0.407 0.000 0.931 152 K CB -0.338 31.743 32.500 -0.698 0.000 0.714 152 K HN 0.358 nan 8.250 nan 0.000 0.440 153 K N 0.679 120.573 120.400 -0.842 0.000 2.020 153 K HA -0.255 4.065 4.320 -0.001 0.000 0.212 153 K C 2.110 178.452 176.600 -0.430 0.000 1.050 153 K CA 2.007 57.746 56.287 -0.912 0.000 0.929 153 K CB -0.138 31.613 32.500 -1.247 0.000 0.714 153 K HN 0.087 nan 8.250 nan 0.000 0.443 154 K N -0.728 119.444 120.400 -0.381 0.000 2.057 154 K HA -0.147 4.172 4.320 -0.001 0.000 0.206 154 K C 1.870 178.148 176.600 -0.537 0.000 1.050 154 K CA 1.615 57.635 56.287 -0.446 0.000 0.935 154 K CB -0.035 32.151 32.500 -0.524 0.000 0.715 154 K HN 0.219 nan 8.250 nan 0.000 0.439 155 Y N -0.014 120.201 120.300 -0.141 0.000 2.510 155 Y HA 0.145 4.695 4.550 -0.001 0.000 0.273 155 Y C 1.498 177.373 175.900 -0.042 0.000 1.119 155 Y CA 0.313 58.362 58.100 -0.084 0.000 1.286 155 Y CB -0.012 38.400 38.460 -0.079 0.000 1.061 155 Y HN 0.292 nan 8.280 nan 0.000 0.542 156 G N 1.170 109.987 108.800 0.030 0.000 2.602 156 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.306 156 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.306 156 G C 1.200 176.192 174.900 0.152 0.000 1.301 156 G CA 0.676 45.816 45.100 0.067 0.000 0.974 156 G HN 0.331 nan 8.290 nan 0.000 0.547 157 K N 0.391 120.905 120.400 0.189 0.000 2.242 157 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 157 K C 2.267 179.149 176.600 0.469 0.000 1.045 157 K CA 1.774 58.258 56.287 0.329 0.000 0.930 157 K CB -0.208 32.512 32.500 0.367 0.000 0.726 157 K HN 0.493 nan 8.250 nan 0.000 0.462 158 K N 0.387 120.971 120.400 0.306 0.000 2.525 158 K HA -0.001 4.318 4.320 -0.001 0.000 0.192 158 K C 0.039 176.804 176.600 0.274 0.000 1.029 158 K CA 0.283 56.701 56.287 0.219 0.000 1.029 158 K CB 0.115 32.683 32.500 0.113 0.000 0.814 158 K HN -0.026 nan 8.250 nan 0.000 0.503 159 L N 0.769 122.216 121.223 0.373 0.000 2.555 159 L HA 0.119 4.459 4.340 -0.001 0.000 0.264 159 L C -0.501 176.456 176.870 0.145 0.000 0.972 159 L CA -0.460 54.559 54.840 0.299 0.000 0.876 159 L CB 1.627 43.749 42.059 0.104 0.000 1.216 159 L HN -0.013 nan 8.230 nan 0.000 0.415 160 S N 2.295 118.044 115.700 0.081 0.000 2.576 160 S HA 0.126 4.596 4.470 -0.001 0.000 0.276 160 S C 0.905 175.462 174.600 -0.071 0.000 1.339 160 S CA -0.106 57.989 58.200 -0.176 0.000 1.039 160 S CB 0.448 63.357 63.200 -0.485 0.000 0.902 160 S HN 0.718 nan 8.310 nan 0.000 0.516 161 W N 1.994 123.248 121.300 -0.076 0.000 2.358 161 W HA -0.055 4.604 4.660 -0.001 0.000 0.303 161 W C 2.757 179.225 176.519 -0.086 0.000 1.208 161 W CA 1.309 58.611 57.345 -0.073 0.000 1.274 161 W CB -0.760 28.616 29.460 -0.139 0.000 1.138 161 W HN 0.963 nan 8.180 nan 0.000 0.515 162 A N 0.575 123.457 122.820 0.104 0.000 1.869 162 A HA -0.320 3.999 4.320 -0.001 0.000 0.218 162 A C 1.727 179.345 177.584 0.055 0.000 1.203 162 A CA 2.515 54.566 52.037 0.022 0.000 0.638 162 A CB -1.182 17.788 19.000 -0.050 0.000 0.831 162 A HN 0.208 nan 8.150 nan 0.000 0.450 163 D N -0.828 119.628 120.400 0.093 0.000 2.104 163 D HA -0.130 4.509 4.640 -0.001 0.000 0.194 163 D C 1.842 178.261 176.300 0.198 0.000 0.994 163 D CA 1.383 55.501 54.000 0.197 0.000 0.830 163 D CB -0.418 40.611 40.800 0.381 0.000 0.959 163 D HN 0.301 nan 8.370 nan 0.000 0.452 164 L N 0.676 121.980 121.223 0.136 0.000 2.017 164 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 164 L C 2.172 179.092 176.870 0.082 0.000 1.073 164 L CA 1.278 56.174 54.840 0.093 0.000 0.745 164 L CB -0.557 41.464 42.059 -0.063 0.000 0.894 164 L HN 0.035 nan 8.230 nan 0.000 0.432 165 I N -0.869 119.763 120.570 0.104 0.000 2.151 165 I HA -0.318 3.851 4.170 -0.001 0.000 0.243 165 I C 2.316 178.468 176.117 0.057 0.000 1.080 165 I CA 1.846 63.183 61.300 0.062 0.000 1.339 165 I CB -0.459 37.578 38.000 0.062 0.000 1.039 165 I HN 0.320 nan 8.210 nan 0.000 0.409 166 V N -2.656 117.314 119.914 0.093 0.000 2.719 166 V HA -0.169 3.950 4.120 -0.001 0.000 0.252 166 V C 2.307 178.526 176.094 0.208 0.000 1.065 166 V CA 1.011 63.392 62.300 0.134 0.000 1.086 166 V CB -1.060 30.798 31.823 0.058 0.000 0.700 166 V HN 0.282 nan 8.190 nan 0.000 0.467 167 F N 2.419 122.297 119.950 -0.121 0.000 2.206 167 F HA 0.208 4.734 4.527 -0.001 0.000 0.298 167 F C 2.443 178.106 175.800 -0.227 0.000 1.090 167 F CA 0.823 58.503 58.000 -0.534 0.000 1.323 167 F CB -0.715 37.817 39.000 -0.780 0.000 1.028 167 F HN 0.184 nan 8.300 nan 0.000 0.492 168 A N 0.128 122.859 122.820 -0.149 0.000 1.940 168 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 168 A C 2.519 180.086 177.584 -0.028 0.000 1.176 168 A CA 1.797 53.724 52.037 -0.183 0.000 0.631 168 A CB -1.724 17.086 19.000 -0.317 0.000 0.814 168 A HN 0.475 nan 8.150 nan 0.000 0.446 169 G N -0.456 108.406 108.800 0.104 0.000 2.394 169 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.215 169 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.215 169 G C 1.474 176.468 174.900 0.156 0.000 1.165 169 G CA 1.123 46.385 45.100 0.269 0.000 0.784 169 G HN 0.604 nan 8.290 nan 0.000 0.535 170 N N -0.489 118.313 118.700 0.169 0.000 2.069 170 N HA -0.127 4.612 4.740 -0.001 0.000 0.191 170 N C 2.138 177.531 175.510 -0.194 0.000 1.031 170 N CA 1.586 54.681 53.050 0.076 0.000 0.852 170 N CB -0.358 38.185 38.487 0.093 0.000 1.018 170 N HN 0.284 nan 8.380 nan 0.000 0.423 171 C N -0.109 118.938 119.300 -0.422 0.000 2.429 171 C HA 0.021 4.480 4.460 -0.001 0.000 0.277 171 C C 2.799 177.705 174.990 -0.140 0.000 1.262 171 C CA 0.662 59.466 59.018 -0.356 0.000 1.733 171 C CB -1.496 25.969 27.740 -0.459 0.000 2.010 171 C HN 0.578 nan 8.230 nan 0.000 0.483 172 A N 0.493 123.272 122.820 -0.069 0.000 1.892 172 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 172 A C 2.142 179.601 177.584 -0.209 0.000 1.188 172 A CA 1.702 53.718 52.037 -0.035 0.000 0.631 172 A CB -0.764 18.250 19.000 0.023 0.000 0.822 172 A HN 0.611 nan 8.150 nan 0.000 0.447 173 L N -0.725 120.330 121.223 -0.280 0.000 2.042 173 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 173 L C 2.734 179.542 176.870 -0.103 0.000 1.076 173 L CA 1.686 56.340 54.840 -0.311 0.000 0.749 173 L CB -0.490 41.388 42.059 -0.302 0.000 0.893 173 L HN 0.470 nan 8.230 nan 0.000 0.432 174 E N -1.066 119.083 120.200 -0.084 0.000 2.112 174 E HA -0.150 4.199 4.350 -0.001 0.000 0.190 174 E C 2.289 178.880 176.600 -0.014 0.000 0.979 174 E CA 1.022 57.392 56.400 -0.050 0.000 0.814 174 E CB -0.014 29.646 29.700 -0.066 0.000 0.762 174 E HN 0.291 nan 8.360 nan 0.000 0.460 175 S N 0.621 116.315 115.700 -0.010 0.000 2.370 175 S HA -0.116 4.354 4.470 -0.001 0.000 0.226 175 S C 1.816 176.466 174.600 0.083 0.000 1.033 175 S CA 1.119 59.355 58.200 0.060 0.000 1.011 175 S CB -0.031 63.251 63.200 0.137 0.000 0.852 175 S HN 0.164 nan 8.310 nan 0.000 0.457 176 M N -0.061 119.554 119.600 0.025 0.000 2.494 176 M HA 0.268 4.747 4.480 -0.001 0.000 0.232 176 M C 1.225 177.655 176.300 0.216 0.000 1.137 176 M CA 0.556 55.897 55.300 0.067 0.000 1.012 176 M CB 0.818 33.377 32.600 -0.069 0.000 1.567 176 M HN 0.530 nan 8.290 nan 0.000 0.486 177 G N 0.697 109.601 108.800 0.172 0.000 2.205 177 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.180 177 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.180 177 G C -0.410 174.580 174.900 0.149 0.000 1.004 177 G CA -0.788 44.431 45.100 0.197 0.000 0.670 177 G HN 0.373 nan 8.290 nan 0.000 0.496 178 F N 2.167 122.058 119.950 -0.099 0.000 2.385 178 F HA 0.721 5.248 4.527 -0.001 0.000 0.360 178 F C 0.421 176.076 175.800 -0.242 0.000 1.122 178 F CA -1.674 56.114 58.000 -0.352 0.000 1.090 178 F CB 1.394 40.127 39.000 -0.445 0.000 1.150 178 F HN -0.016 nan 8.300 nan 0.000 0.472 179 K N 4.928 124.815 120.400 -0.856 0.000 2.315 179 K HA 0.208 4.528 4.320 -0.001 0.000 0.291 179 K C -0.160 175.961 176.600 -0.797 0.000 1.074 179 K CA -0.207 55.714 56.287 -0.611 0.000 0.936 179 K CB 0.092 32.338 32.500 -0.424 0.000 1.049 179 K HN 0.701 nan 8.250 nan 0.000 0.471 180 T N 1.672 115.997 114.554 -0.381 0.000 2.918 180 T HA 0.069 4.419 4.350 -0.001 0.000 0.302 180 T C 0.976 175.684 174.700 0.013 0.000 1.045 180 T CA -0.619 61.419 62.100 -0.105 0.000 1.114 180 T CB 0.566 69.533 68.868 0.165 0.000 0.965 180 T HN 0.565 nan 8.240 nan 0.000 0.540 181 F N 1.945 121.866 119.950 -0.049 0.000 2.307 181 F HA 0.253 4.779 4.527 -0.001 0.000 0.301 181 F C 1.186 176.932 175.800 -0.089 0.000 1.076 181 F CA 1.479 59.415 58.000 -0.107 0.000 1.383 181 F CB -0.345 38.561 39.000 -0.157 0.000 1.055 181 F HN 1.197 nan 8.300 nan 0.000 0.526 182 G N -0.858 108.153 108.800 0.352 0.000 2.362 182 G HA2 0.258 4.218 3.960 -0.001 0.000 0.288 182 G HA3 0.258 4.218 3.960 -0.001 0.000 0.288 182 G C -2.051 173.324 174.900 0.792 0.000 1.305 182 G CA -0.501 44.835 45.100 0.394 0.000 0.910 182 G HN 0.250 nan 8.290 nan 0.000 0.518 183 F N 0.040 120.293 119.950 0.505 0.000 2.635 183 F HA 0.636 5.162 4.527 -0.001 0.000 0.314 183 F C 0.040 176.004 175.800 0.273 0.000 1.119 183 F CA 0.245 58.515 58.000 0.450 0.000 1.000 183 F CB 1.970 41.168 39.000 0.330 0.000 1.278 183 F HN 1.084 nan 8.300 nan 0.000 0.446 184 G N 4.583 113.130 108.800 -0.422 0.000 2.417 184 G HA2 0.538 4.497 3.960 -0.001 0.000 0.320 184 G HA3 0.538 4.497 3.960 -0.001 0.000 0.320 184 G C -1.555 172.932 174.900 -0.688 0.000 1.204 184 G CA -0.401 44.501 45.100 -0.330 0.000 0.923 184 G HN 0.459 nan 8.290 nan 0.000 0.466 185 F N 0.650 120.515 119.950 -0.141 0.000 2.370 185 F HA 0.583 5.109 4.527 -0.001 0.000 0.319 185 F C 1.300 177.056 175.800 -0.073 0.000 1.129 185 F CA 0.840 58.816 58.000 -0.040 0.000 1.109 185 F CB 2.143 41.147 39.000 0.007 0.000 1.262 185 F HN 0.723 nan 8.300 nan 0.000 0.534 186 G N 1.051 110.011 108.800 0.267 0.000 2.200 186 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.145 186 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.145 186 G C -0.262 174.778 174.900 0.234 0.000 1.021 186 G CA -0.979 44.272 45.100 0.253 0.000 0.720 186 G HN 0.534 nan 8.290 nan 0.000 0.494 187 R N 0.661 121.250 120.500 0.148 0.000 2.370 187 R HA 0.422 4.761 4.340 -0.001 0.000 0.309 187 R C 0.334 176.608 176.300 -0.044 0.000 1.059 187 R CA -0.169 55.939 56.100 0.013 0.000 0.981 187 R CB 1.276 31.541 30.300 -0.058 0.000 0.972 187 R HN 0.082 nan 8.270 nan 0.000 0.437 188 V N 3.798 123.690 119.914 -0.036 0.000 2.432 188 V HA 0.009 4.128 4.120 -0.001 0.000 0.271 188 V C 0.338 176.347 176.094 -0.142 0.000 1.046 188 V CA -0.421 61.825 62.300 -0.091 0.000 0.945 188 V CB 0.927 32.798 31.823 0.080 0.000 0.992 188 V HN 0.622 nan 8.190 nan 0.000 0.471 189 D N 3.940 124.188 120.400 -0.253 0.000 2.424 189 D HA 0.266 4.906 4.640 -0.001 0.000 0.244 189 D C 0.157 176.149 176.300 -0.513 0.000 1.134 189 D CA 0.445 54.238 54.000 -0.345 0.000 0.881 189 D CB 0.824 41.383 40.800 -0.403 0.000 1.191 189 D HN 0.638 nan 8.370 nan 0.000 0.445 190 Q N 1.088 120.555 119.800 -0.554 0.000 2.418 190 Q HA 0.504 4.843 4.340 -0.001 0.000 0.276 190 Q C 0.053 175.560 176.000 -0.822 0.000 1.081 190 Q CA -0.674 54.770 55.803 -0.600 0.000 0.864 190 Q CB 1.724 30.369 28.738 -0.155 0.000 1.384 190 Q HN 0.583 nan 8.270 nan 0.000 0.467 191 W N -0.503 120.815 121.300 0.031 0.000 2.773 191 W HA 0.167 4.827 4.660 -0.001 0.000 0.297 191 W C 0.038 176.330 176.519 -0.379 0.000 1.050 191 W CA -0.291 57.029 57.345 -0.043 0.000 1.467 191 W CB 0.981 30.444 29.460 0.005 0.000 0.977 191 W HN 0.519 nan 8.180 nan 0.000 0.573 192 E N 0.291 120.306 120.200 -0.308 0.000 2.369 192 E HA 0.489 4.839 4.350 -0.001 0.000 0.270 192 E C -2.791 173.499 176.600 -0.517 0.000 0.909 192 E CA -2.666 53.436 56.400 -0.496 0.000 0.775 192 E CB 1.917 31.510 29.700 -0.178 0.000 1.270 192 E HN -0.366 nan 8.360 nan 0.000 0.445 193 P HA 0.037 nan 4.420 nan 0.000 0.267 193 P C -0.925 176.335 177.300 -0.066 0.000 1.200 193 P CA -0.030 62.960 63.100 -0.183 0.000 0.772 193 P CB 0.359 32.018 31.700 -0.069 0.000 0.855 194 D N 1.694 122.095 120.400 0.002 0.000 2.358 194 D HA 0.042 4.681 4.640 -0.001 0.000 0.258 194 D C -0.175 176.140 176.300 0.024 0.000 1.223 194 D CA 0.102 54.108 54.000 0.011 0.000 0.886 194 D CB 0.158 40.976 40.800 0.030 0.000 1.120 194 D HN 0.236 nan 8.370 nan 0.000 0.482 195 E N 2.020 122.215 120.200 -0.010 0.000 2.029 195 E HA 0.248 4.598 4.350 -0.001 0.000 0.276 195 E C -0.719 175.826 176.600 -0.091 0.000 1.163 195 E CA -0.254 56.138 56.400 -0.014 0.000 0.909 195 E CB 0.829 30.518 29.700 -0.017 0.000 1.046 195 E HN 0.130 nan 8.360 nan 0.000 0.406 196 V N 3.804 123.605 119.914 -0.188 0.000 2.604 196 V HA 0.115 4.235 4.120 -0.001 0.000 0.305 196 V C -0.762 174.983 176.094 -0.582 0.000 1.043 196 V CA -1.043 60.938 62.300 -0.533 0.000 0.888 196 V CB 1.121 32.318 31.823 -1.043 0.000 0.995 196 V HN 0.585 nan 8.190 nan 0.000 0.429 197 Y N 3.144 123.147 120.300 -0.494 0.000 2.587 197 Y HA 0.155 4.705 4.550 -0.001 0.000 0.344 197 Y C 0.270 175.950 175.900 -0.366 0.000 1.061 197 Y CA -0.371 57.546 58.100 -0.305 0.000 1.370 197 Y CB 0.524 38.877 38.460 -0.179 0.000 1.163 197 Y HN 0.774 nan 8.280 nan 0.000 0.527 198 W N 4.151 125.239 121.300 -0.353 0.000 3.177 198 W HA 0.463 5.122 4.660 -0.001 0.000 0.309 198 W C 0.807 177.009 176.519 -0.528 0.000 1.224 198 W CA 0.520 57.720 57.345 -0.241 0.000 1.718 198 W CB 0.546 30.086 29.460 0.133 0.000 1.078 198 W HN 0.963 nan 8.180 nan 0.000 0.618 199 G N 0.857 109.068 108.800 -0.981 0.000 2.351 199 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.353 199 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.353 199 G C 0.039 174.661 174.900 -0.464 0.000 1.358 199 G CA -0.362 44.279 45.100 -0.766 0.000 0.995 199 G HN 0.070 nan 8.290 nan 0.000 0.611 200 K N -0.580 119.748 120.400 -0.120 0.000 2.374 200 K HA 0.285 4.604 4.320 -0.001 0.000 0.196 200 K C 0.105 176.675 176.600 -0.050 0.000 1.023 200 K CA 0.313 56.615 56.287 0.024 0.000 1.103 200 K CB 0.344 32.911 32.500 0.110 0.000 0.848 200 K HN 0.322 nan 8.250 nan 0.000 0.528 201 E N 1.279 121.416 120.200 -0.105 0.000 2.299 201 E HA 0.112 4.462 4.350 -0.001 0.000 0.272 201 E C 0.139 176.621 176.600 -0.197 0.000 1.043 201 E CA 0.040 56.365 56.400 -0.125 0.000 0.895 201 E CB 1.466 31.092 29.700 -0.123 0.000 1.011 201 E HN 0.355 nan 8.360 nan 0.000 0.432 202 A N 3.424 126.142 122.820 -0.169 0.000 2.307 202 A HA 0.100 4.420 4.320 -0.001 0.000 0.218 202 A C 0.294 177.716 177.584 -0.270 0.000 1.228 202 A CA 0.037 51.946 52.037 -0.213 0.000 0.857 202 A CB 0.169 19.091 19.000 -0.130 0.000 0.897 202 A HN 0.453 nan 8.150 nan 0.000 0.495 203 T N -0.428 113.975 114.554 -0.252 0.000 2.824 203 T HA 0.353 4.703 4.350 -0.001 0.000 0.282 203 T C -0.637 173.938 174.700 -0.208 0.000 0.993 203 T CA -0.395 61.589 62.100 -0.193 0.000 0.967 203 T CB 0.565 69.392 68.868 -0.069 0.000 0.960 203 T HN 0.410 nan 8.240 nan 0.000 0.441 204 W N 3.815 125.093 121.300 -0.036 0.000 2.295 204 W HA 0.280 4.940 4.660 -0.001 0.000 0.335 204 W C 0.971 177.453 176.519 -0.062 0.000 1.351 204 W CA -0.296 57.011 57.345 -0.064 0.000 1.273 204 W CB -0.076 29.367 29.460 -0.029 0.000 1.214 204 W HN 0.712 nan 8.180 nan 0.000 0.563 205 L N 2.086 123.433 121.223 0.206 0.000 4.937 205 L HA -0.211 4.129 4.340 -0.001 0.000 0.422 205 L C 1.161 178.060 176.870 0.050 0.000 1.059 205 L CA 0.580 55.474 54.840 0.090 0.000 1.111 205 L CB -2.089 40.027 42.059 0.095 0.000 2.033 205 L HN 0.707 nan 8.230 nan 0.000 0.708 206 G N 0.115 108.927 108.800 0.020 0.000 2.544 206 G HA2 0.365 4.325 3.960 -0.001 0.000 0.242 206 G HA3 0.365 4.325 3.960 -0.001 0.000 0.242 206 G C -0.449 174.457 174.900 0.010 0.000 1.247 206 G CA 0.491 45.593 45.100 0.003 0.000 0.840 206 G HN 0.222 nan 8.290 nan 0.000 0.578 207 D N 0.030 120.452 120.400 0.036 0.000 2.421 207 D HA 0.244 4.883 4.640 -0.001 0.000 0.254 207 D C -0.011 176.336 176.300 0.077 0.000 1.238 207 D CA -0.531 53.516 54.000 0.078 0.000 0.919 207 D CB 0.956 41.831 40.800 0.125 0.000 1.152 207 D HN 0.399 nan 8.370 nan 0.000 0.552 208 E N 2.652 122.882 120.200 0.050 0.000 3.105 208 E HA 0.149 4.498 4.350 -0.001 0.000 0.198 208 E C 0.579 177.196 176.600 0.030 0.000 0.976 208 E CA -0.033 56.395 56.400 0.045 0.000 1.219 208 E CB 0.777 30.488 29.700 0.017 0.000 1.081 208 E HN 0.429 nan 8.360 nan 0.000 0.464 209 R N -0.338 120.175 120.500 0.022 0.000 2.543 209 R HA 0.236 4.576 4.340 -0.001 0.000 0.323 209 R C -0.436 175.675 176.300 -0.315 0.000 1.002 209 R CA -0.243 55.770 56.100 -0.144 0.000 1.106 209 R CB 0.077 30.239 30.300 -0.230 0.000 1.280 209 R HN -0.043 nan 8.270 nan 0.000 0.549 210 Y N 1.099 121.410 120.300 0.018 0.000 2.409 210 Y HA 0.425 4.975 4.550 -0.001 0.000 0.343 210 Y C 0.272 176.181 175.900 0.014 0.000 0.973 210 Y CA -0.690 57.421 58.100 0.019 0.000 1.064 210 Y CB 2.251 40.725 38.460 0.023 0.000 1.207 210 Y HN 0.118 nan 8.280 nan 0.000 0.452 211 S N 1.020 116.813 115.700 0.155 0.000 2.671 211 S HA 0.922 5.392 4.470 -0.001 0.000 0.299 211 S C 0.235 174.896 174.600 0.102 0.000 1.116 211 S CA -0.230 58.029 58.200 0.098 0.000 0.912 211 S CB 1.647 64.876 63.200 0.048 0.000 1.130 211 S HN 1.524 nan 8.310 nan 0.000 0.501 212 G N 1.839 110.679 108.800 0.068 0.000 2.552 212 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.265 212 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.265 212 G C 0.397 175.331 174.900 0.058 0.000 1.234 212 G CA 0.658 45.792 45.100 0.056 0.000 0.944 212 G HN 0.949 nan 8.290 nan 0.000 0.568 213 K N -0.061 120.370 120.400 0.052 0.000 1.963 213 K HA 0.063 4.382 4.320 -0.001 0.000 0.216 213 K C 1.807 178.434 176.600 0.045 0.000 1.045 213 K CA 1.743 58.053 56.287 0.039 0.000 0.954 213 K CB -0.035 32.484 32.500 0.033 0.000 0.732 213 K HN 0.434 nan 8.250 nan 0.000 0.442 214 R N 0.885 121.433 120.500 0.080 0.000 2.638 214 R HA 0.114 4.454 4.340 -0.001 0.000 0.269 214 R C -1.722 174.760 176.300 0.304 0.000 1.393 214 R CA -0.197 55.983 56.100 0.134 0.000 1.531 214 R CB 0.485 30.785 30.300 -0.001 0.000 1.327 214 R HN 0.167 nan 8.270 nan 0.000 0.709 215 D N 1.689 122.243 120.400 0.257 0.000 2.295 215 D HA 0.078 4.717 4.640 -0.001 0.000 0.248 215 D C -0.408 175.958 176.300 0.111 0.000 1.154 215 D CA -0.219 53.880 54.000 0.165 0.000 0.857 215 D CB 1.710 42.559 40.800 0.082 0.000 1.117 215 D HN 0.170 nan 8.370 nan 0.000 0.468 216 L N 1.903 123.109 121.223 -0.029 0.000 2.312 216 L HA 0.181 4.521 4.340 -0.001 0.000 0.281 216 L C 0.440 177.170 176.870 -0.233 0.000 1.070 216 L CA -0.406 54.205 54.840 -0.382 0.000 0.805 216 L CB 1.049 42.902 42.059 -0.343 0.000 1.174 216 L HN 0.306 nan 8.230 nan 0.000 0.434 217 E N 3.854 123.895 120.200 -0.264 0.000 2.415 217 E HA -0.046 4.303 4.350 -0.001 0.000 0.260 217 E C -0.550 175.961 176.600 -0.149 0.000 1.016 217 E CA 0.145 56.452 56.400 -0.154 0.000 0.924 217 E CB 0.147 29.785 29.700 -0.102 0.000 0.961 217 E HN 0.749 nan 8.360 nan 0.000 0.459 218 N N 5.618 124.198 118.700 -0.199 0.000 2.497 218 N HA 0.045 4.784 4.740 -0.001 0.000 0.268 218 N C -1.844 173.552 175.510 -0.190 0.000 1.171 218 N CA -1.105 51.739 53.050 -0.342 0.000 0.948 218 N CB 0.849 38.891 38.487 -0.742 0.000 1.069 218 N HN 0.461 nan 8.380 nan 0.000 0.460 219 P HA 0.139 nan 4.420 nan 0.000 0.280 219 P C -0.437 176.848 177.300 -0.025 0.000 1.431 219 P CA 0.060 63.112 63.100 -0.081 0.000 1.058 219 P CB 0.474 32.248 31.700 0.124 0.000 1.521 220 L N 0.110 121.319 121.223 -0.024 0.000 2.452 220 L HA 0.503 4.843 4.340 -0.001 0.000 0.267 220 L C 1.101 177.977 176.870 0.010 0.000 1.188 220 L CA -0.359 54.484 54.840 0.006 0.000 0.821 220 L CB 0.344 42.386 42.059 -0.028 0.000 1.102 220 L HN -0.100 nan 8.230 nan 0.000 0.470 221 A N 1.260 124.115 122.820 0.057 0.000 2.568 221 A HA 0.713 5.032 4.320 -0.001 0.000 0.287 221 A C 0.042 177.698 177.584 0.120 0.000 0.967 221 A CA 0.182 52.276 52.037 0.096 0.000 1.004 221 A CB 0.326 19.387 19.000 0.103 0.000 1.233 221 A HN 0.719 nan 8.150 nan 0.000 0.513 222 A N -0.646 122.220 122.820 0.077 0.000 2.469 222 A HA 0.657 4.976 4.320 -0.001 0.000 0.299 222 A C 0.930 178.566 177.584 0.087 0.000 1.098 222 A CA 0.196 52.277 52.037 0.073 0.000 0.737 222 A CB 0.821 19.803 19.000 -0.029 0.000 1.312 222 A HN 1.150 nan 8.150 nan 0.000 0.414 223 V N -2.080 117.923 119.914 0.149 0.000 2.951 223 V HA 0.177 4.297 4.120 -0.001 0.000 0.255 223 V C 0.403 176.609 176.094 0.187 0.000 1.088 223 V CA 1.326 63.774 62.300 0.246 0.000 1.109 223 V CB -1.160 30.829 31.823 0.277 0.000 0.724 223 V HN 0.746 nan 8.190 nan 0.000 0.471 224 Q N -0.726 119.112 119.800 0.064 0.000 2.565 224 Q HA 0.578 4.918 4.340 -0.001 0.000 0.294 224 Q C -1.231 174.706 176.000 -0.105 0.000 1.005 224 Q CA -1.064 54.745 55.803 0.011 0.000 0.771 224 Q CB 2.071 30.829 28.738 0.035 0.000 1.486 224 Q HN 0.263 nan 8.270 nan 0.000 0.422 225 M N 0.991 120.520 119.600 -0.118 0.000 2.194 225 M HA 0.408 4.888 4.480 -0.001 0.000 0.347 225 M C 0.576 176.725 176.300 -0.252 0.000 1.439 225 M CA 1.320 56.489 55.300 -0.218 0.000 1.131 225 M CB -0.397 32.094 32.600 -0.182 0.000 1.733 225 M HN 0.824 nan 8.290 nan 0.000 0.467 226 G N 3.939 112.236 108.800 -0.837 0.000 2.163 226 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.213 226 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.213 226 G C -0.396 174.012 174.900 -0.822 0.000 0.991 226 G CA -0.058 44.313 45.100 -1.215 0.000 0.653 226 G HN 0.677 nan 8.290 nan 0.000 0.518 227 L N 1.095 121.944 121.223 -0.624 0.000 2.331 227 L HA 0.512 4.852 4.340 -0.001 0.000 0.275 227 L C 1.714 178.442 176.870 -0.236 0.000 1.022 227 L CA -1.466 53.221 54.840 -0.255 0.000 0.812 227 L CB 1.112 43.118 42.059 -0.089 0.000 1.257 227 L HN -0.150 nan 8.230 nan 0.000 0.435 228 I N 0.590 121.059 120.570 -0.168 0.000 2.162 228 I HA -0.180 3.989 4.170 -0.001 0.000 0.238 228 I C 1.286 177.076 176.117 -0.545 0.000 1.076 228 I CA 2.134 63.184 61.300 -0.418 0.000 1.353 228 I CB -0.529 37.018 38.000 -0.755 0.000 1.063 228 I HN 0.637 nan 8.210 nan 0.000 0.408 229 Y N -0.296 120.043 120.300 0.065 0.000 3.224 229 Y HA 0.273 4.823 4.550 -0.001 0.000 0.184 229 Y C 0.702 176.710 175.900 0.180 0.000 0.891 229 Y CA -0.271 57.917 58.100 0.147 0.000 1.736 229 Y CB -0.174 38.445 38.460 0.265 0.000 1.411 229 Y HN -0.113 nan 8.280 nan 0.000 0.402 230 V N -1.173 118.993 119.914 0.419 0.000 3.113 230 V HA 0.526 4.646 4.120 -0.001 0.000 0.316 230 V C -0.698 175.542 176.094 0.244 0.000 1.125 230 V CA -1.226 61.260 62.300 0.310 0.000 1.026 230 V CB 1.757 33.768 31.823 0.314 0.000 1.080 230 V HN 0.296 nan 8.190 nan 0.000 0.444 231 N N 2.791 121.608 118.700 0.195 0.000 2.442 231 N HA 0.351 5.090 4.740 -0.001 0.000 0.265 231 N C -1.519 174.103 175.510 0.186 0.000 1.138 231 N CA -1.781 51.370 53.050 0.168 0.000 0.956 231 N CB 1.551 40.120 38.487 0.135 0.000 1.067 231 N HN 0.601 nan 8.380 nan 0.000 0.474 232 P HA -0.099 nan 4.420 nan 0.000 0.223 232 P C -0.048 177.362 177.300 0.183 0.000 1.144 232 P CA 1.265 64.490 63.100 0.209 0.000 0.783 232 P CB 0.428 32.256 31.700 0.213 0.000 0.771 233 E N -0.469 119.836 120.200 0.174 0.000 2.465 233 E HA 0.365 4.714 4.350 -0.001 0.000 0.195 233 E C 0.711 177.404 176.600 0.155 0.000 1.028 233 E CA -0.110 56.406 56.400 0.195 0.000 0.899 233 E CB 0.196 30.045 29.700 0.247 0.000 1.032 233 E HN 0.177 nan 8.360 nan 0.000 0.468 234 G N 2.165 111.045 108.800 0.132 0.000 2.663 234 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 234 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 234 G C -2.950 172.000 174.900 0.083 0.000 1.288 234 G CA -1.363 43.794 45.100 0.094 0.000 0.836 234 G HN -0.129 nan 8.290 nan 0.000 0.584 235 P HA 0.150 nan 4.420 nan 0.000 0.261 235 P C 0.563 177.880 177.300 0.029 0.000 1.183 235 P CA 0.649 63.767 63.100 0.029 0.000 0.761 235 P CB 0.159 31.852 31.700 -0.012 0.000 0.785 236 N N 2.724 121.447 118.700 0.038 0.000 2.678 236 N HA -0.254 4.486 4.740 -0.001 0.000 0.250 236 N C 0.980 176.535 175.510 0.076 0.000 1.136 236 N CA 1.773 54.852 53.050 0.047 0.000 0.757 236 N CB -1.671 36.828 38.487 0.021 0.000 1.135 236 N HN 0.832 nan 8.380 nan 0.000 0.565 237 G N 0.142 109.002 108.800 0.100 0.000 2.176 237 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.232 237 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.232 237 G C -0.260 174.745 174.900 0.175 0.000 0.986 237 G CA 0.231 45.427 45.100 0.160 0.000 0.643 237 G HN 0.634 nan 8.290 nan 0.000 0.522 238 N N 1.532 120.274 118.700 0.069 0.000 2.415 238 N HA 0.344 5.083 4.740 -0.001 0.000 0.246 238 N C -2.217 173.240 175.510 -0.089 0.000 1.078 238 N CA -1.499 51.531 53.050 -0.034 0.000 0.942 238 N CB 1.288 39.754 38.487 -0.034 0.000 1.140 238 N HN 0.042 nan 8.380 nan 0.000 0.501 239 P HA 0.029 nan 4.420 nan 0.000 0.237 239 P C -0.962 176.302 177.300 -0.060 0.000 1.701 239 P CA 0.193 63.188 63.100 -0.175 0.000 0.955 239 P CB -0.383 31.033 31.700 -0.473 0.000 1.937 240 D N 1.751 122.135 120.400 -0.026 0.000 2.412 240 D HA 0.182 4.822 4.640 -0.001 0.000 0.224 240 D C -1.725 174.588 176.300 0.022 0.000 1.093 240 D CA -2.303 51.694 54.000 -0.004 0.000 0.850 240 D CB 1.680 42.465 40.800 -0.025 0.000 1.046 240 D HN -0.019 nan 8.370 nan 0.000 0.507 241 P HA -0.121 nan 4.420 nan 0.000 0.217 241 P C 1.479 178.783 177.300 0.007 0.000 1.150 241 P CA 0.745 63.843 63.100 -0.004 0.000 0.832 241 P CB 0.202 31.846 31.700 -0.092 0.000 0.787 242 M N 0.187 119.787 119.600 -0.001 0.000 2.086 242 M HA -0.092 4.387 4.480 -0.001 0.000 0.261 242 M C 1.965 178.275 176.300 0.017 0.000 1.067 242 M CA 2.008 57.312 55.300 0.006 0.000 1.116 242 M CB -1.375 31.221 32.600 -0.005 0.000 1.348 242 M HN -0.132 nan 8.290 nan 0.000 0.407 243 A N -0.185 122.642 122.820 0.011 0.000 1.877 243 A HA 0.030 4.350 4.320 -0.001 0.000 0.216 243 A C 2.409 180.013 177.584 0.034 0.000 1.186 243 A CA 2.211 54.255 52.037 0.012 0.000 0.620 243 A CB -1.558 17.441 19.000 -0.003 0.000 0.822 243 A HN 0.675 nan 8.150 nan 0.000 0.443 244 A N -0.011 122.837 122.820 0.046 0.000 1.917 244 A HA 0.054 4.374 4.320 -0.001 0.000 0.219 244 A C 2.495 180.140 177.584 0.102 0.000 1.182 244 A CA 2.351 54.433 52.037 0.075 0.000 0.633 244 A CB -1.101 17.945 19.000 0.077 0.000 0.819 244 A HN 1.208 nan 8.150 nan 0.000 0.448 245 A N -0.717 122.169 122.820 0.111 0.000 2.024 245 A HA -0.023 4.296 4.320 -0.001 0.000 0.220 245 A C 2.152 179.828 177.584 0.153 0.000 1.164 245 A CA 1.837 53.990 52.037 0.194 0.000 0.643 245 A CB -0.787 18.333 19.000 0.200 0.000 0.806 245 A HN 0.450 nan 8.150 nan 0.000 0.451 246 V N 0.079 120.047 119.914 0.089 0.000 2.548 246 V HA -0.170 3.950 4.120 -0.001 0.000 0.249 246 V C 1.967 178.133 176.094 0.119 0.000 1.055 246 V CA 2.095 64.439 62.300 0.073 0.000 1.065 246 V CB -0.623 31.224 31.823 0.040 0.000 0.681 246 V HN 0.463 nan 8.190 nan 0.000 0.462 247 D N 0.088 120.570 120.400 0.136 0.000 2.137 247 D HA -0.015 4.624 4.640 -0.001 0.000 0.202 247 D C 2.036 178.482 176.300 0.245 0.000 0.970 247 D CA 1.006 55.119 54.000 0.188 0.000 0.837 247 D CB -0.115 40.788 40.800 0.172 0.000 0.981 247 D HN 0.366 nan 8.370 nan 0.000 0.475 248 I N 0.651 121.353 120.570 0.220 0.000 2.179 248 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 248 I C 2.489 178.748 176.117 0.236 0.000 1.088 248 I CA 0.953 62.379 61.300 0.210 0.000 1.357 248 I CB -0.165 37.851 38.000 0.027 0.000 1.051 248 I HN -0.101 nan 8.210 nan 0.000 0.409 249 R N 0.889 121.528 120.500 0.231 0.000 2.083 249 R HA -0.269 4.070 4.340 -0.001 0.000 0.237 249 R C 2.260 178.685 176.300 0.208 0.000 1.137 249 R CA 2.126 58.341 56.100 0.191 0.000 0.951 249 R CB -0.174 30.168 30.300 0.069 0.000 0.851 249 R HN 0.292 nan 8.270 nan 0.000 0.434 250 E N -0.494 119.830 120.200 0.207 0.000 2.076 250 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 250 E C 1.790 178.537 176.600 0.245 0.000 0.979 250 E CA 1.968 58.489 56.400 0.202 0.000 0.807 250 E CB -0.094 29.717 29.700 0.186 0.000 0.761 250 E HN 0.534 nan 8.360 nan 0.000 0.454 251 T N -1.593 113.149 114.554 0.314 0.000 2.777 251 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 251 T C 1.785 176.693 174.700 0.347 0.000 1.040 251 T CA 1.114 63.431 62.100 0.361 0.000 1.141 251 T CB -0.690 68.463 68.868 0.476 0.000 0.868 251 T HN 0.093 nan 8.240 nan 0.000 0.444 252 F N 1.781 121.790 119.950 0.098 0.000 2.186 252 F HA 0.195 4.721 4.527 -0.001 0.000 0.299 252 F C 2.872 178.731 175.800 0.098 0.000 1.090 252 F CA 0.713 58.715 58.000 0.003 0.000 1.307 252 F CB -0.418 38.523 39.000 -0.099 0.000 1.019 252 F HN 0.044 nan 8.300 nan 0.000 0.489 253 R N 0.780 121.452 120.500 0.287 0.000 2.096 253 R HA -0.170 4.169 4.340 -0.001 0.000 0.240 253 R C 1.869 178.279 176.300 0.183 0.000 1.139 253 R CA 1.659 57.881 56.100 0.204 0.000 0.952 253 R CB -0.249 30.150 30.300 0.165 0.000 0.854 253 R HN 0.183 nan 8.270 nan 0.000 0.436 254 R N -0.302 120.308 120.500 0.184 0.000 2.343 254 R HA 0.039 4.378 4.340 -0.001 0.000 0.202 254 R C 0.661 177.059 176.300 0.164 0.000 1.023 254 R CA 0.385 56.575 56.100 0.150 0.000 1.084 254 R CB 0.192 30.569 30.300 0.128 0.000 0.956 254 R HN 0.341 nan 8.270 nan 0.000 0.478 255 M N -0.537 119.195 119.600 0.220 0.000 2.705 255 M HA 0.247 4.726 4.480 -0.001 0.000 0.387 255 M C 0.113 176.574 176.300 0.268 0.000 1.204 255 M CA -0.243 55.242 55.300 0.307 0.000 0.905 255 M CB 1.391 34.202 32.600 0.352 0.000 1.394 255 M HN 0.121 nan 8.290 nan 0.000 0.515 256 A N 0.903 123.854 122.820 0.218 0.000 2.860 256 A HA -0.163 4.156 4.320 -0.001 0.000 0.267 256 A C -0.041 177.591 177.584 0.080 0.000 1.421 256 A CA 0.960 53.080 52.037 0.138 0.000 0.831 256 A CB -1.378 17.683 19.000 0.101 0.000 1.041 256 A HN 0.509 nan 8.150 nan 0.000 0.623 257 M N 1.248 120.934 119.600 0.143 0.000 2.181 257 M HA 0.275 4.754 4.480 -0.001 0.000 0.323 257 M C 0.612 177.021 176.300 0.182 0.000 1.004 257 M CA -0.634 54.766 55.300 0.167 0.000 0.941 257 M CB 0.861 33.639 32.600 0.297 0.000 1.579 257 M HN 0.668 nan 8.290 nan 0.000 0.427 258 N N 1.716 120.500 118.700 0.140 0.000 2.328 258 N HA 0.150 4.889 4.740 -0.001 0.000 0.277 258 N C -0.025 175.572 175.510 0.146 0.000 1.286 258 N CA -0.763 52.367 53.050 0.133 0.000 0.949 258 N CB 1.122 39.675 38.487 0.111 0.000 1.136 258 N HN 0.397 nan 8.380 nan 0.000 0.550 259 D N -0.159 120.317 120.400 0.126 0.000 2.104 259 D HA -0.119 4.520 4.640 -0.001 0.000 0.194 259 D C 2.011 178.437 176.300 0.210 0.000 0.994 259 D CA 1.016 55.113 54.000 0.161 0.000 0.830 259 D CB -0.284 40.538 40.800 0.035 0.000 0.959 259 D HN 0.312 nan 8.370 nan 0.000 0.452 260 V N 1.097 121.120 119.914 0.181 0.000 2.307 260 V HA -0.204 3.915 4.120 -0.001 0.000 0.245 260 V C 2.290 178.574 176.094 0.315 0.000 1.045 260 V CA 1.597 64.057 62.300 0.266 0.000 1.024 260 V CB -0.388 31.589 31.823 0.258 0.000 0.651 260 V HN 0.153 nan 8.190 nan 0.000 0.449 261 E N -0.169 120.158 120.200 0.211 0.000 2.051 261 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 261 E C 2.276 178.955 176.600 0.132 0.000 0.991 261 E CA 1.897 58.400 56.400 0.172 0.000 0.799 261 E CB -0.373 29.402 29.700 0.125 0.000 0.748 261 E HN 0.561 nan 8.360 nan 0.000 0.449 262 T N 0.998 115.594 114.554 0.070 0.000 2.580 262 T HA -0.289 4.060 4.350 -0.001 0.000 0.265 262 T C 2.003 176.501 174.700 -0.336 0.000 1.063 262 T CA 1.689 63.645 62.100 -0.241 0.000 1.170 262 T CB -0.540 68.136 68.868 -0.320 0.000 0.863 262 T HN 0.320 nan 8.240 nan 0.000 0.418 263 A N 1.637 124.357 122.820 -0.167 0.000 1.884 263 A HA -0.066 4.254 4.320 -0.001 0.000 0.219 263 A C 2.679 180.320 177.584 0.094 0.000 1.197 263 A CA 2.555 54.535 52.037 -0.095 0.000 0.637 263 A CB -1.398 17.656 19.000 0.091 0.000 0.827 263 A HN 0.579 nan 8.150 nan 0.000 0.450 264 A N -0.534 122.449 122.820 0.272 0.000 1.892 264 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 264 A C 2.245 179.810 177.584 -0.032 0.000 1.188 264 A CA 1.716 53.767 52.037 0.024 0.000 0.631 264 A CB -0.685 18.368 19.000 0.090 0.000 0.822 264 A HN 0.508 nan 8.150 nan 0.000 0.447 265 L N -0.680 120.574 121.223 0.050 0.000 2.017 265 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 265 L C 2.588 179.237 176.870 -0.368 0.000 1.073 265 L CA 1.595 56.462 54.840 0.045 0.000 0.745 265 L CB -0.580 41.525 42.059 0.078 0.000 0.894 265 L HN 0.433 nan 8.230 nan 0.000 0.432 266 I N -0.799 119.456 120.570 -0.524 0.000 2.142 266 I HA -0.270 3.899 4.170 -0.001 0.000 0.240 266 I C 2.651 178.177 176.117 -0.984 0.000 1.078 266 I CA 1.421 62.258 61.300 -0.772 0.000 1.343 266 I CB -0.540 37.060 38.000 -0.666 0.000 1.046 266 I HN 0.151 nan 8.210 nan 0.000 0.405 267 V N 1.541 120.938 119.914 -0.861 0.000 2.295 267 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 267 V C 2.374 177.784 176.094 -1.141 0.000 1.049 267 V CA 2.347 63.921 62.300 -1.210 0.000 1.024 267 V CB -1.217 30.213 31.823 -0.655 0.000 0.648 267 V HN 0.462 nan 8.190 nan 0.000 0.447 268 G N -0.134 108.038 108.800 -1.046 0.000 2.513 268 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 268 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 268 G C 1.592 175.835 174.900 -1.095 0.000 1.160 268 G CA 1.130 45.304 45.100 -1.545 0.000 0.767 268 G HN 0.844 nan 8.290 nan 0.000 0.571 269 G N -0.372 107.932 108.800 -0.826 0.000 2.414 269 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.215 269 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.215 269 G C 1.470 176.051 174.900 -0.532 0.000 1.188 269 G CA 0.867 45.666 45.100 -0.502 0.000 0.783 269 G HN 0.651 nan 8.290 nan 0.000 0.537 270 H N -0.066 118.438 119.070 -0.944 0.000 2.556 270 H HA 0.095 4.650 4.556 -0.001 0.000 0.268 270 H C 2.350 177.255 175.328 -0.705 0.000 0.996 270 H CA 0.369 55.651 56.048 -1.277 0.000 1.157 270 H CB 0.349 28.972 29.762 -1.899 0.000 1.355 270 H HN 0.241 nan 8.280 nan 0.000 0.597 271 T N 0.431 114.586 114.554 -0.665 0.000 2.881 271 T HA -0.095 4.255 4.350 -0.001 0.000 0.270 271 T C 0.071 174.354 174.700 -0.695 0.000 1.068 271 T CA 0.991 62.657 62.100 -0.723 0.000 1.131 271 T CB -0.067 68.094 68.868 -1.178 0.000 0.871 271 T HN 0.110 nan 8.240 nan 0.000 0.479 272 F N -0.055 119.850 119.950 -0.074 0.000 2.522 272 F HA 0.624 5.151 4.527 -0.001 0.000 0.324 272 F C 1.121 177.028 175.800 0.179 0.000 1.077 272 F CA -0.758 57.248 58.000 0.010 0.000 0.944 272 F CB 1.229 40.212 39.000 -0.030 0.000 1.175 272 F HN 0.228 nan 8.300 nan 0.000 0.468 273 G N 2.145 111.153 108.800 0.347 0.000 2.584 273 G HA2 0.033 3.992 3.960 -0.001 0.000 0.229 273 G HA3 0.033 3.992 3.960 -0.001 0.000 0.229 273 G C -1.202 173.945 174.900 0.412 0.000 1.320 273 G CA -0.201 45.131 45.100 0.387 0.000 0.891 273 G HN 1.160 nan 8.290 nan 0.000 0.573 274 K N -1.940 118.641 120.400 0.301 0.000 2.607 274 K HA 0.691 5.010 4.320 -0.001 0.000 0.287 274 K C -0.150 176.283 176.600 -0.279 0.000 0.996 274 K CA -0.207 55.980 56.287 -0.167 0.000 0.876 274 K CB 1.165 33.578 32.500 -0.145 0.000 1.496 274 K HN 1.468 nan 8.250 nan 0.000 0.415 275 T N -1.105 113.136 114.554 -0.522 0.000 2.824 275 T HA 0.416 4.765 4.350 -0.001 0.000 0.277 275 T C -0.648 173.774 174.700 -0.463 0.000 0.975 275 T CA -0.299 61.629 62.100 -0.288 0.000 0.966 275 T CB 0.454 69.194 68.868 -0.213 0.000 1.054 275 T HN 0.655 nan 8.240 nan 0.000 0.533 276 H N -0.906 118.158 119.070 -0.010 0.000 2.906 276 H HA 0.602 5.158 4.556 -0.001 0.000 0.324 276 H C 0.387 175.699 175.328 -0.026 0.000 0.973 276 H CA -0.599 55.448 56.048 -0.002 0.000 1.321 276 H CB 1.469 31.267 29.762 0.061 0.000 1.535 276 H HN 1.028 nan 8.280 nan 0.000 0.518 277 G N 1.273 110.083 108.800 0.017 0.000 5.233 277 G HA2 0.374 4.333 3.960 -0.001 0.000 0.203 277 G HA3 0.374 4.333 3.960 -0.001 0.000 0.203 277 G C 0.904 175.736 174.900 -0.114 0.000 0.734 277 G CA 0.132 45.205 45.100 -0.046 0.000 0.662 277 G HN 0.704 nan 8.290 nan 0.000 0.468 278 A N -0.366 122.390 122.820 -0.108 0.000 2.067 278 A HA 0.556 4.875 4.320 -0.001 0.000 0.219 278 A C 1.453 178.722 177.584 -0.525 0.000 1.158 278 A CA 1.592 53.528 52.037 -0.168 0.000 0.661 278 A CB 0.066 19.075 19.000 0.015 0.000 0.801 278 A HN 1.116 nan 8.150 nan 0.000 0.452 279 G N -1.762 106.620 108.800 -0.697 0.000 2.921 279 G HA2 0.548 4.508 3.960 -0.001 0.000 0.291 279 G HA3 0.548 4.508 3.960 -0.001 0.000 0.291 279 G C -3.307 171.338 174.900 -0.424 0.000 1.370 279 G CA -1.300 43.210 45.100 -0.984 0.000 0.847 279 G HN -0.037 nan 8.290 nan 0.000 0.532 280 P HA 0.264 nan 4.420 nan 0.000 0.271 280 P C 0.586 177.839 177.300 -0.079 0.000 1.216 280 P CA 0.242 63.260 63.100 -0.138 0.000 0.776 280 P CB 1.656 33.308 31.700 -0.081 0.000 0.881 281 A N 3.326 126.115 122.820 -0.052 0.000 2.066 281 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 281 A C 1.545 179.143 177.584 0.023 0.000 1.157 281 A CA 1.408 53.439 52.037 -0.010 0.000 0.670 281 A CB -0.976 18.017 19.000 -0.011 0.000 0.804 281 A HN 0.606 nan 8.150 nan 0.000 0.453 282 D N 0.096 120.504 120.400 0.014 0.000 2.348 282 D HA -0.081 4.559 4.640 -0.001 0.000 0.216 282 D C 1.326 177.653 176.300 0.044 0.000 0.970 282 D CA 0.407 54.425 54.000 0.030 0.000 0.889 282 D CB -0.474 40.338 40.800 0.019 0.000 0.912 282 D HN 0.467 nan 8.370 nan 0.000 0.524 283 L N 0.462 121.715 121.223 0.049 0.000 2.599 283 L HA 0.140 4.480 4.340 -0.001 0.000 0.230 283 L C 0.171 177.101 176.870 0.100 0.000 1.141 283 L CA -0.052 54.835 54.840 0.079 0.000 0.877 283 L CB 0.397 42.520 42.059 0.107 0.000 1.009 283 L HN -0.116 nan 8.230 nan 0.000 0.447 284 V N -0.109 119.865 119.914 0.101 0.000 2.398 284 V HA 0.446 4.565 4.120 -0.001 0.000 0.286 284 V C 0.965 177.138 176.094 0.131 0.000 1.026 284 V CA -0.610 61.775 62.300 0.141 0.000 0.868 284 V CB 1.324 33.246 31.823 0.165 0.000 0.982 284 V HN 0.244 nan 8.190 nan 0.000 0.443 285 G N 5.909 114.779 108.800 0.116 0.000 2.468 285 G HA2 0.376 4.336 3.960 -0.001 0.000 0.264 285 G HA3 0.376 4.336 3.960 -0.001 0.000 0.264 285 G C -2.553 172.343 174.900 -0.005 0.000 1.460 285 G CA -0.793 44.336 45.100 0.048 0.000 1.060 285 G HN 0.599 nan 8.290 nan 0.000 0.543 286 P HA 0.182 nan 4.420 nan 0.000 0.279 286 P C 0.003 177.013 177.300 -0.483 0.000 1.239 286 P CA -0.477 62.506 63.100 -0.196 0.000 0.789 286 P CB 0.833 32.449 31.700 -0.141 0.000 0.933 287 E N 4.201 124.002 120.200 -0.664 0.000 2.422 287 E HA -0.021 4.328 4.350 -0.001 0.000 0.260 287 E C -1.892 174.202 176.600 -0.843 0.000 1.108 287 E CA -1.217 54.434 56.400 -1.249 0.000 0.943 287 E CB -0.672 28.525 29.700 -0.838 0.000 0.961 287 E HN 0.224 nan 8.360 nan 0.000 0.443 288 P HA -0.212 nan 4.420 nan 0.000 0.218 288 P C 1.047 178.162 177.300 -0.308 0.000 1.152 288 P CA 1.577 64.371 63.100 -0.511 0.000 0.857 288 P CB 0.193 31.633 31.700 -0.432 0.000 0.787 289 E N -0.942 119.105 120.200 -0.256 0.000 2.150 289 E HA -0.069 4.281 4.350 -0.001 0.000 0.193 289 E C 1.909 178.444 176.600 -0.109 0.000 0.985 289 E CA 1.286 57.608 56.400 -0.130 0.000 0.814 289 E CB -0.659 29.011 29.700 -0.050 0.000 0.752 289 E HN 0.207 nan 8.360 nan 0.000 0.466 290 A N 0.742 123.479 122.820 -0.139 0.000 2.218 290 A HA 0.343 4.663 4.320 -0.001 0.000 0.209 290 A C 1.205 178.722 177.584 -0.113 0.000 1.168 290 A CA 0.496 52.475 52.037 -0.098 0.000 0.804 290 A CB 0.023 18.978 19.000 -0.074 0.000 0.834 290 A HN 0.140 nan 8.150 nan 0.000 0.482 291 A N 0.915 123.642 122.820 -0.154 0.000 2.302 291 A HA 0.595 4.914 4.320 -0.001 0.000 0.285 291 A C -2.261 175.260 177.584 -0.105 0.000 1.105 291 A CA -1.535 50.416 52.037 -0.143 0.000 0.816 291 A CB -0.336 18.549 19.000 -0.192 0.000 1.067 291 A HN 0.205 nan 8.150 nan 0.000 0.489 292 P HA -0.069 nan 4.420 nan 0.000 0.265 292 P C 0.827 178.081 177.300 -0.076 0.000 1.167 292 P CA -0.085 62.974 63.100 -0.068 0.000 0.760 292 P CB 0.264 31.930 31.700 -0.057 0.000 0.783 293 L N 2.885 124.068 121.223 -0.067 0.000 2.081 293 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 293 L C 2.300 179.124 176.870 -0.077 0.000 1.080 293 L CA 1.936 56.734 54.840 -0.071 0.000 0.754 293 L CB -1.043 40.981 42.059 -0.059 0.000 0.893 293 L HN 0.543 nan 8.230 nan 0.000 0.433 294 E N -1.008 119.151 120.200 -0.068 0.000 2.347 294 E HA -0.237 4.112 4.350 -0.001 0.000 0.196 294 E C 1.645 178.195 176.600 -0.083 0.000 1.008 294 E CA 0.795 57.154 56.400 -0.068 0.000 0.852 294 E CB -0.448 29.221 29.700 -0.052 0.000 0.783 294 E HN 0.639 nan 8.360 nan 0.000 0.505 295 Q N -0.010 119.736 119.800 -0.090 0.000 2.488 295 Q HA 0.095 4.435 4.340 -0.001 0.000 0.211 295 Q C 0.266 176.182 176.000 -0.140 0.000 0.967 295 Q CA 0.142 55.882 55.803 -0.105 0.000 0.926 295 Q CB -0.078 28.599 28.738 -0.101 0.000 0.992 295 Q HN 0.178 nan 8.270 nan 0.000 0.506 296 M N -0.887 118.629 119.600 -0.139 0.000 2.461 296 M HA -0.256 4.224 4.480 -0.001 0.000 0.203 296 M C 0.722 176.910 176.300 -0.187 0.000 0.428 296 M CA 1.253 56.455 55.300 -0.163 0.000 0.509 296 M CB -2.351 30.137 32.600 -0.187 0.000 1.851 296 M HN 0.595 nan 8.290 nan 0.000 0.834 297 G N -0.786 107.910 108.800 -0.172 0.000 2.194 297 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.236 297 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.236 297 G C 0.068 174.848 174.900 -0.200 0.000 0.987 297 G CA 0.296 45.283 45.100 -0.188 0.000 0.635 297 G HN 0.482 nan 8.290 nan 0.000 0.520 298 L N 0.611 121.722 121.223 -0.188 0.000 2.399 298 L HA 0.721 5.060 4.340 -0.001 0.000 0.266 298 L C 1.133 177.888 176.870 -0.192 0.000 1.114 298 L CA -0.088 54.651 54.840 -0.169 0.000 0.804 298 L CB 1.394 43.367 42.059 -0.143 0.000 1.146 298 L HN 0.274 nan 8.230 nan 0.000 0.451 299 G N -1.288 107.390 108.800 -0.203 0.000 3.105 299 G HA2 0.394 4.354 3.960 -0.001 0.000 0.277 299 G HA3 0.394 4.354 3.960 -0.001 0.000 0.277 299 G C -1.010 173.846 174.900 -0.074 0.000 1.375 299 G CA -0.523 44.352 45.100 -0.374 0.000 0.962 299 G HN 0.771 nan 8.290 nan 0.000 0.541 300 W N -0.209 121.050 121.300 -0.070 0.000 5.950 300 W HA -0.176 4.484 4.660 -0.001 0.000 0.383 300 W C 0.718 177.239 176.519 0.002 0.000 1.418 300 W CA 0.895 58.216 57.345 -0.040 0.000 0.994 300 W CB -1.105 28.324 29.460 -0.053 0.000 2.552 300 W HN 0.529 nan 8.180 nan 0.000 1.551 301 K N 1.642 122.126 120.400 0.141 0.000 2.447 301 K HA 0.203 4.523 4.320 -0.001 0.000 0.281 301 K C 0.561 177.253 176.600 0.152 0.000 1.031 301 K CA 0.389 56.759 56.287 0.138 0.000 1.019 301 K CB 0.697 33.241 32.500 0.072 0.000 0.918 301 K HN -0.031 nan 8.250 nan 0.000 0.476 302 S N 1.965 117.777 115.700 0.186 0.000 2.525 302 S HA 0.178 4.647 4.470 -0.001 0.000 0.290 302 S C 0.677 175.363 174.600 0.143 0.000 1.152 302 S CA -0.650 57.656 58.200 0.177 0.000 1.072 302 S CB 1.264 64.595 63.200 0.219 0.000 1.027 302 S HN 0.689 nan 8.310 nan 0.000 0.500 303 S N 3.193 118.972 115.700 0.131 0.000 2.556 303 S HA 0.134 4.603 4.470 -0.001 0.000 0.216 303 S C 0.143 174.806 174.600 0.106 0.000 0.970 303 S CA -0.278 57.980 58.200 0.096 0.000 0.912 303 S CB -0.371 62.874 63.200 0.076 0.000 0.790 303 S HN 0.745 nan 8.310 nan 0.000 0.504 304 Y N 4.056 124.373 120.300 0.030 0.000 2.537 304 Y HA 0.425 4.975 4.550 -0.001 0.000 0.339 304 Y C 1.373 177.273 175.900 0.000 0.000 1.066 304 Y CA 0.554 58.661 58.100 0.013 0.000 1.357 304 Y CB -0.407 38.060 38.460 0.013 0.000 1.175 304 Y HN 0.427 nan 8.280 nan 0.000 0.525 305 G N 4.200 112.676 108.800 -0.539 0.000 2.690 305 G HA2 -0.492 3.467 3.960 -0.001 0.000 0.334 305 G HA3 -0.492 3.467 3.960 -0.001 0.000 0.334 305 G C 1.122 175.906 174.900 -0.193 0.000 1.250 305 G CA 1.536 46.376 45.100 -0.434 0.000 0.994 305 G HN 1.200 nan 8.290 nan 0.000 0.549 306 T N -1.244 113.214 114.554 -0.160 0.000 3.067 306 T HA 0.394 4.744 4.350 -0.001 0.000 0.261 306 T C 2.618 177.313 174.700 -0.008 0.000 1.110 306 T CA 1.684 63.734 62.100 -0.083 0.000 1.113 306 T CB 0.009 68.806 68.868 -0.119 0.000 0.917 306 T HN 2.724 nan 8.240 nan 0.000 0.499 307 G N 1.473 110.288 108.800 0.024 0.000 2.189 307 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.267 307 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.267 307 G C 0.304 175.292 174.900 0.147 0.000 0.975 307 G CA 0.885 46.064 45.100 0.131 0.000 0.644 307 G HN 1.317 nan 8.290 nan 0.000 0.537 308 T N -4.360 110.176 114.554 -0.030 0.000 2.865 308 T HA 0.834 5.184 4.350 -0.001 0.000 0.294 308 T C 1.562 175.961 174.700 -0.502 0.000 1.119 308 T CA 0.748 62.659 62.100 -0.315 0.000 1.007 308 T CB 1.717 70.498 68.868 -0.145 0.000 1.225 308 T HN 2.033 nan 8.240 nan 0.000 0.515 309 G N 1.898 110.219 108.800 -0.798 0.000 2.774 309 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.342 309 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.342 309 G C 1.159 175.767 174.900 -0.488 0.000 1.185 309 G CA 0.873 45.536 45.100 -0.728 0.000 0.956 309 G HN 0.882 nan 8.290 nan 0.000 0.561 310 K N 1.017 120.966 120.400 -0.751 0.000 2.097 310 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 310 K C 1.565 178.118 176.600 -0.079 0.000 1.049 310 K CA 1.821 57.927 56.287 -0.301 0.000 0.933 310 K CB -0.337 31.968 32.500 -0.324 0.000 0.717 310 K HN 0.553 nan 8.250 nan 0.000 0.442 311 D N -0.170 120.182 120.400 -0.080 0.000 2.424 311 D HA 0.097 4.736 4.640 -0.001 0.000 0.220 311 D C -0.297 176.102 176.300 0.165 0.000 1.150 311 D CA -0.040 54.048 54.000 0.146 0.000 0.831 311 D CB 0.230 41.074 40.800 0.072 0.000 0.981 311 D HN -0.004 nan 8.370 nan 0.000 0.500 312 A N 0.976 123.818 122.820 0.037 0.000 2.451 312 A HA 0.347 4.667 4.320 -0.001 0.000 0.266 312 A C 0.257 177.927 177.584 0.144 0.000 1.119 312 A CA -0.018 52.048 52.037 0.047 0.000 0.786 312 A CB -0.125 18.803 19.000 -0.119 0.000 1.061 312 A HN 0.168 nan 8.150 nan 0.000 0.503 313 I N 3.250 123.910 120.570 0.150 0.000 2.339 313 I HA 0.297 4.466 4.170 -0.001 0.000 0.290 313 I C 0.871 177.055 176.117 0.112 0.000 0.994 313 I CA -0.136 61.224 61.300 0.100 0.000 1.191 313 I CB 1.883 39.906 38.000 0.038 0.000 1.343 313 I HN 0.752 nan 8.210 nan 0.000 0.458 314 T N 1.339 115.953 114.554 0.100 0.000 3.182 314 T HA -0.015 4.335 4.350 -0.001 0.000 0.244 314 T C 1.618 176.284 174.700 -0.057 0.000 0.981 314 T CA 1.025 63.124 62.100 -0.002 0.000 1.182 314 T CB 0.224 69.118 68.868 0.044 0.000 1.043 314 T HN 0.724 nan 8.240 nan 0.000 0.424 315 T N -1.409 113.159 114.554 0.023 0.000 2.990 315 T HA 0.457 4.806 4.350 -0.001 0.000 0.249 315 T C 1.726 176.426 174.700 -0.000 0.000 1.039 315 T CA 0.961 63.067 62.100 0.010 0.000 1.036 315 T CB 0.358 69.267 68.868 0.068 0.000 0.994 315 T HN 0.612 nan 8.240 nan 0.000 0.489 316 G N 1.312 110.109 108.800 -0.005 0.000 2.163 316 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.213 316 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.213 316 G C -0.132 174.736 174.900 -0.054 0.000 0.991 316 G CA -0.131 44.945 45.100 -0.040 0.000 0.653 316 G HN 0.622 nan 8.290 nan 0.000 0.518 317 I N 0.434 120.983 120.570 -0.034 0.000 2.412 317 I HA 0.579 4.749 4.170 -0.001 0.000 0.296 317 I C -0.048 176.005 176.117 -0.107 0.000 0.987 317 I CA -0.900 60.363 61.300 -0.061 0.000 1.180 317 I CB 1.935 39.919 38.000 -0.027 0.000 1.340 317 I HN 0.005 nan 8.210 nan 0.000 0.455 318 E N 5.425 125.541 120.200 -0.140 0.000 2.489 318 E HA 0.477 4.826 4.350 -0.001 0.000 0.232 318 E C -1.608 174.852 176.600 -0.234 0.000 0.990 318 E CA -0.221 56.074 56.400 -0.175 0.000 0.768 318 E CB 0.904 30.525 29.700 -0.132 0.000 1.270 318 E HN 0.297 nan 8.360 nan 0.000 0.423 319 V N 3.530 123.223 119.914 -0.368 0.000 2.656 319 V HA 0.521 4.640 4.120 -0.001 0.000 0.307 319 V C -0.790 174.902 176.094 -0.670 0.000 1.051 319 V CA -0.897 61.084 62.300 -0.531 0.000 0.893 319 V CB 2.309 33.699 31.823 -0.722 0.000 0.999 319 V HN 0.312 nan 8.190 nan 0.000 0.426 320 V N 4.174 123.780 119.914 -0.513 0.000 2.357 320 V HA 0.250 4.369 4.120 -0.001 0.000 0.281 320 V C 0.539 176.479 176.094 -0.255 0.000 1.015 320 V CA -0.518 61.567 62.300 -0.359 0.000 0.827 320 V CB 1.392 33.146 31.823 -0.115 0.000 1.018 320 V HN 0.994 nan 8.190 nan 0.000 0.432 321 W N 2.349 123.624 121.300 -0.043 0.000 2.358 321 W HA -0.067 4.593 4.660 -0.001 0.000 0.303 321 W C 1.171 177.657 176.519 -0.055 0.000 1.208 321 W CA 1.430 58.748 57.345 -0.046 0.000 1.274 321 W CB -0.333 29.190 29.460 0.105 0.000 1.138 321 W HN 0.621 nan 8.180 nan 0.000 0.515 322 T N -1.962 112.707 114.554 0.192 0.000 2.930 322 T HA 0.191 4.540 4.350 -0.001 0.000 0.290 322 T C 0.912 175.596 174.700 -0.027 0.000 1.052 322 T CA -0.659 61.475 62.100 0.056 0.000 1.017 322 T CB 1.731 70.604 68.868 0.008 0.000 1.137 322 T HN 0.009 nan 8.240 nan 0.000 0.511 323 N N 0.276 118.951 118.700 -0.042 0.000 2.494 323 N HA -0.033 4.707 4.740 -0.001 0.000 0.182 323 N C 0.556 176.002 175.510 -0.108 0.000 1.076 323 N CA 0.504 53.519 53.050 -0.058 0.000 0.908 323 N CB -0.225 38.245 38.487 -0.029 0.000 0.967 323 N HN 0.840 nan 8.380 nan 0.000 0.449 324 T N -2.005 112.470 114.554 -0.132 0.000 3.401 324 T HA 0.414 4.763 4.350 -0.001 0.000 0.341 324 T C -2.643 171.936 174.700 -0.201 0.000 1.674 324 T CA -1.569 60.434 62.100 -0.162 0.000 1.600 324 T CB 1.723 70.522 68.868 -0.114 0.000 0.974 324 T HN -0.190 nan 8.240 nan 0.000 0.672 325 P HA 0.090 nan 4.420 nan 0.000 0.242 325 P C 0.999 178.224 177.300 -0.125 0.000 1.197 325 P CA 0.496 63.437 63.100 -0.267 0.000 0.765 325 P CB -0.054 31.306 31.700 -0.566 0.000 0.936 326 T N -5.001 109.479 114.554 -0.124 0.000 3.337 326 T HA 0.327 4.676 4.350 -0.001 0.000 0.299 326 T C 0.143 174.889 174.700 0.076 0.000 0.998 326 T CA -0.424 61.653 62.100 -0.039 0.000 0.948 326 T CB 0.101 68.897 68.868 -0.120 0.000 1.170 326 T HN -0.146 nan 8.240 nan 0.000 0.508 327 K N 0.809 121.293 120.400 0.140 0.000 2.523 327 K HA 0.318 4.638 4.320 -0.001 0.000 0.257 327 K C -1.765 174.926 176.600 0.151 0.000 0.932 327 K CA -0.750 55.637 56.287 0.166 0.000 0.812 327 K CB 2.356 34.887 32.500 0.052 0.000 1.326 327 K HN 0.358 nan 8.250 nan 0.000 0.433 328 W N 5.553 126.916 121.300 0.104 0.000 2.331 328 W HA 0.236 4.896 4.660 -0.001 0.000 0.306 328 W C -1.157 175.335 176.519 -0.045 0.000 1.162 328 W CA 0.059 57.380 57.345 -0.040 0.000 1.232 328 W CB 0.542 30.123 29.460 0.201 0.000 1.235 328 W HN 0.779 nan 8.180 nan 0.000 0.479 329 D N 1.893 121.855 120.400 -0.731 0.000 2.768 329 D HA 0.077 4.716 4.640 -0.001 0.000 0.327 329 D C -0.609 175.248 176.300 -0.738 0.000 1.302 329 D CA -0.728 52.940 54.000 -0.555 0.000 0.897 329 D CB 0.376 41.026 40.800 -0.251 0.000 1.420 329 D HN 0.402 nan 8.370 nan 0.000 0.494 330 N N -0.644 117.810 118.700 -0.409 0.000 2.322 330 N HA -0.034 4.705 4.740 -0.001 0.000 0.216 330 N C 0.819 176.221 175.510 -0.180 0.000 1.144 330 N CA 0.076 52.941 53.050 -0.308 0.000 0.830 330 N CB 0.205 38.597 38.487 -0.159 0.000 1.034 330 N HN 0.347 nan 8.380 nan 0.000 0.484 331 S N -0.042 115.541 115.700 -0.195 0.000 2.399 331 S HA -0.171 4.298 4.470 -0.001 0.000 0.231 331 S C 1.586 176.170 174.600 -0.027 0.000 1.022 331 S CA 0.733 58.877 58.200 -0.093 0.000 0.983 331 S CB -0.370 62.771 63.200 -0.099 0.000 0.803 331 S HN 0.508 nan 8.310 nan 0.000 0.480 332 F N 1.605 121.431 119.950 -0.206 0.000 2.102 332 F HA 0.009 4.536 4.527 -0.001 0.000 0.298 332 F C 1.827 177.607 175.800 -0.033 0.000 1.105 332 F CA 1.697 59.613 58.000 -0.140 0.000 1.239 332 F CB -0.222 38.618 39.000 -0.267 0.000 0.991 332 F HN 0.211 nan 8.300 nan 0.000 0.474 333 L N -0.113 121.212 121.223 0.171 0.000 2.179 333 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 333 L C 2.237 179.211 176.870 0.173 0.000 1.096 333 L CA 1.086 56.055 54.840 0.215 0.000 0.779 333 L CB -0.645 41.581 42.059 0.278 0.000 0.922 333 L HN 0.119 nan 8.230 nan 0.000 0.443 334 E N 0.233 120.482 120.200 0.082 0.000 2.209 334 E HA -0.208 4.141 4.350 -0.001 0.000 0.196 334 E C 2.125 178.783 176.600 0.096 0.000 0.993 334 E CA 1.119 57.557 56.400 0.062 0.000 0.819 334 E CB 0.023 29.730 29.700 0.012 0.000 0.745 334 E HN 0.528 nan 8.360 nan 0.000 0.477 335 I N 0.006 120.640 120.570 0.107 0.000 2.429 335 I HA -0.158 4.011 4.170 -0.001 0.000 0.247 335 I C 2.240 178.565 176.117 0.348 0.000 1.099 335 I CA 0.111 61.568 61.300 0.262 0.000 1.422 335 I CB -0.036 38.073 38.000 0.182 0.000 1.112 335 I HN 0.096 nan 8.210 nan 0.000 0.430 336 L N 0.491 121.743 121.223 0.048 0.000 2.013 336 L HA -0.268 4.071 4.340 -0.001 0.000 0.212 336 L C 2.165 179.067 176.870 0.053 0.000 1.073 336 L CA 2.242 57.046 54.840 -0.059 0.000 0.753 336 L CB -0.721 41.079 42.059 -0.431 0.000 0.890 336 L HN 0.198 nan 8.230 nan 0.000 0.432 337 Y N -1.022 119.348 120.300 0.116 0.000 2.517 337 Y HA 0.194 4.744 4.550 -0.001 0.000 0.281 337 Y C 2.329 178.241 175.900 0.019 0.000 1.125 337 Y CA 0.654 58.798 58.100 0.074 0.000 1.283 337 Y CB -0.486 37.985 38.460 0.018 0.000 1.042 337 Y HN 0.225 nan 8.280 nan 0.000 0.547 338 G N -1.192 107.682 108.800 0.122 0.000 2.430 338 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.216 338 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.216 338 G C -0.089 174.566 174.900 -0.408 0.000 1.146 338 G CA 0.459 45.475 45.100 -0.140 0.000 0.793 338 G HN 0.206 nan 8.290 nan 0.000 0.537 339 Y N -0.367 119.798 120.300 -0.225 0.000 2.621 339 Y HA 0.587 5.137 4.550 -0.001 0.000 0.334 339 Y C 0.122 175.643 175.900 -0.632 0.000 1.074 339 Y CA -1.329 56.460 58.100 -0.518 0.000 1.149 339 Y CB 1.185 39.093 38.460 -0.920 0.000 1.302 339 Y HN -0.162 nan 8.280 nan 0.000 0.501 340 E N 0.507 120.448 120.200 -0.431 0.000 2.242 340 E HA 0.206 4.556 4.350 -0.001 0.000 0.275 340 E C -1.638 174.641 176.600 -0.535 0.000 1.002 340 E CA -0.517 55.671 56.400 -0.353 0.000 0.841 340 E CB 1.317 30.930 29.700 -0.146 0.000 1.109 340 E HN 0.560 nan 8.360 nan 0.000 0.394 341 W N 1.185 122.478 121.300 -0.012 0.000 2.632 341 W HA 0.310 4.969 4.660 -0.001 0.000 0.328 341 W C 0.247 176.852 176.519 0.144 0.000 1.044 341 W CA -0.696 56.666 57.345 0.029 0.000 1.225 341 W CB 1.149 30.538 29.460 -0.118 0.000 1.396 341 W HN 0.348 nan 8.180 nan 0.000 0.499 342 E N 2.148 122.616 120.200 0.446 0.000 2.266 342 E HA 0.560 4.909 4.350 -0.001 0.000 0.268 342 E C -1.070 175.688 176.600 0.263 0.000 0.879 342 E CA -1.029 55.566 56.400 0.324 0.000 0.762 342 E CB 1.994 31.782 29.700 0.147 0.000 1.199 342 E HN 0.388 nan 8.360 nan 0.000 0.422 343 L N 1.963 123.211 121.223 0.043 0.000 2.485 343 L HA 0.216 4.556 4.340 -0.001 0.000 0.275 343 L C 0.142 177.007 176.870 -0.008 0.000 1.207 343 L CA 0.821 55.503 54.840 -0.264 0.000 0.855 343 L CB 1.112 42.967 42.059 -0.339 0.000 1.114 343 L HN 0.827 nan 8.230 nan 0.000 0.485 344 T N 2.744 117.329 114.554 0.053 0.000 2.718 344 T HA 0.398 4.747 4.350 -0.001 0.000 0.306 344 T C -1.549 173.206 174.700 0.092 0.000 1.485 344 T CA -0.831 61.331 62.100 0.102 0.000 0.997 344 T CB 1.425 70.319 68.868 0.043 0.000 1.504 344 T HN 0.333 nan 8.240 nan 0.000 0.497 345 K N 1.970 122.354 120.400 -0.027 0.000 2.345 345 K HA 0.552 4.871 4.320 -0.001 0.000 0.255 345 K C 0.021 176.552 176.600 -0.115 0.000 0.934 345 K CA -0.604 55.596 56.287 -0.143 0.000 0.801 345 K CB 1.832 34.188 32.500 -0.239 0.000 1.137 345 K HN 0.818 nan 8.250 nan 0.000 0.424 346 S N 1.513 117.137 115.700 -0.127 0.000 2.608 346 S HA 0.245 4.714 4.470 -0.001 0.000 0.261 346 S C -1.753 172.769 174.600 -0.129 0.000 1.314 346 S CA -0.890 57.240 58.200 -0.116 0.000 0.992 346 S CB 0.331 63.462 63.200 -0.114 0.000 0.935 346 S HN 0.291 nan 8.310 nan 0.000 0.564 347 P HA 0.096 nan 4.420 nan 0.000 0.234 347 P C 0.537 177.738 177.300 -0.165 0.000 1.162 347 P CA 1.013 64.031 63.100 -0.137 0.000 0.759 347 P CB -0.222 31.392 31.700 -0.145 0.000 0.813 348 A N -1.451 121.272 122.820 -0.162 0.000 2.431 348 A HA 0.562 4.882 4.320 -0.001 0.000 0.239 348 A C 1.549 179.035 177.584 -0.163 0.000 1.230 348 A CA 0.493 52.436 52.037 -0.158 0.000 0.928 348 A CB -0.497 18.419 19.000 -0.140 0.000 1.006 348 A HN 0.192 nan 8.150 nan 0.000 0.520 349 G N -1.419 107.263 108.800 -0.195 0.000 2.141 349 G HA2 0.123 4.083 3.960 -0.001 0.000 0.231 349 G HA3 0.123 4.083 3.960 -0.001 0.000 0.231 349 G C 0.392 175.071 174.900 -0.367 0.000 0.984 349 G CA 0.204 45.141 45.100 -0.273 0.000 0.660 349 G HN 1.580 nan 8.290 nan 0.000 0.525 350 A N -0.325 122.336 122.820 -0.265 0.000 2.354 350 A HA 0.597 4.916 4.320 -0.001 0.000 0.269 350 A C 0.375 177.829 177.584 -0.217 0.000 1.109 350 A CA -0.384 51.512 52.037 -0.235 0.000 0.800 350 A CB 0.307 19.248 19.000 -0.098 0.000 1.045 350 A HN 0.627 nan 8.150 nan 0.000 0.489 351 W N 1.200 122.454 121.300 -0.077 0.000 2.223 351 W HA 0.382 5.042 4.660 -0.001 0.000 0.334 351 W C 0.969 177.405 176.519 -0.137 0.000 1.334 351 W CA 0.412 57.681 57.345 -0.126 0.000 1.246 351 W CB 0.463 29.851 29.460 -0.121 0.000 1.184 351 W HN 0.843 nan 8.180 nan 0.000 0.563 352 Q N 1.473 121.329 119.800 0.093 0.000 2.738 352 Q HA 0.432 4.771 4.340 -0.001 0.000 0.301 352 Q C -2.035 173.874 176.000 -0.152 0.000 0.901 352 Q CA -1.217 54.579 55.803 -0.012 0.000 0.756 352 Q CB 1.626 30.356 28.738 -0.013 0.000 1.463 352 Q HN 0.485 nan 8.270 nan 0.000 0.432 353 Y N 0.018 120.335 120.300 0.027 0.000 2.377 353 Y HA 0.630 5.179 4.550 -0.001 0.000 0.339 353 Y C 0.010 176.034 175.900 0.206 0.000 1.011 353 Y CA -0.315 57.847 58.100 0.104 0.000 1.093 353 Y CB 2.693 41.169 38.460 0.026 0.000 1.201 353 Y HN 0.709 nan 8.280 nan 0.000 0.455 354 T N 1.777 116.585 114.554 0.424 0.000 2.924 354 T HA 0.748 5.097 4.350 -0.001 0.000 0.291 354 T C -0.722 174.117 174.700 0.232 0.000 1.045 354 T CA -0.739 61.562 62.100 0.336 0.000 1.015 354 T CB 0.678 69.611 68.868 0.108 0.000 1.103 354 T HN 0.793 nan 8.240 nan 0.000 0.496 355 A N 3.879 126.593 122.820 -0.177 0.000 2.524 355 A HA 0.329 4.649 4.320 -0.001 0.000 0.250 355 A C 0.575 178.017 177.584 -0.237 0.000 1.078 355 A CA 0.134 51.828 52.037 -0.573 0.000 0.761 355 A CB -0.218 18.277 19.000 -0.841 0.000 1.012 355 A HN 0.860 nan 8.150 nan 0.000 0.500 356 K N 1.516 121.799 120.400 -0.196 0.000 2.397 356 K HA 0.040 4.360 4.320 -0.001 0.000 0.265 356 K C -0.186 176.376 176.600 -0.063 0.000 0.982 356 K CA 0.519 56.755 56.287 -0.084 0.000 0.931 356 K CB 0.140 32.597 32.500 -0.072 0.000 0.943 356 K HN 0.789 nan 8.250 nan 0.000 0.501 357 D N 0.373 120.750 120.400 -0.037 0.000 2.751 357 D HA -0.179 4.461 4.640 -0.001 0.000 0.233 357 D C 0.661 176.944 176.300 -0.028 0.000 1.149 357 D CA 1.353 55.336 54.000 -0.029 0.000 0.682 357 D CB -1.704 39.077 40.800 -0.031 0.000 1.068 357 D HN 0.996 nan 8.370 nan 0.000 0.429 358 G N -0.899 107.881 108.800 -0.033 0.000 2.244 358 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.274 358 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.274 358 G C 0.576 175.459 174.900 -0.028 0.000 1.002 358 G CA 1.066 46.146 45.100 -0.033 0.000 0.740 358 G HN 1.222 nan 8.290 nan 0.000 0.516 359 A N -0.740 122.068 122.820 -0.019 0.000 2.425 359 A HA 0.703 5.023 4.320 -0.001 0.000 0.249 359 A C 1.908 179.526 177.584 0.057 0.000 1.084 359 A CA 1.213 53.283 52.037 0.054 0.000 0.781 359 A CB 0.211 19.284 19.000 0.121 0.000 1.019 359 A HN 2.290 nan 8.150 nan 0.000 0.490 360 G N 0.418 109.309 108.800 0.152 0.000 2.153 360 G HA2 0.133 4.093 3.960 -0.001 0.000 0.252 360 G HA3 0.133 4.093 3.960 -0.001 0.000 0.252 360 G C 0.616 175.497 174.900 -0.031 0.000 0.994 360 G CA 0.436 45.581 45.100 0.075 0.000 0.698 360 G HN 2.279 nan 8.290 nan 0.000 0.521 361 A N -0.016 122.791 122.820 -0.022 0.000 2.553 361 A HA 0.569 4.889 4.320 -0.001 0.000 0.258 361 A C 2.074 179.646 177.584 -0.020 0.000 1.069 361 A CA 1.819 53.838 52.037 -0.029 0.000 0.767 361 A CB -0.438 18.550 19.000 -0.020 0.000 0.997 361 A HN 2.432 nan 8.150 nan 0.000 0.512 362 G N 2.260 111.044 108.800 -0.026 0.000 2.160 362 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.251 362 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.251 362 G C 0.746 175.640 174.900 -0.010 0.000 1.008 362 G CA 1.310 46.400 45.100 -0.017 0.000 0.724 362 G HN 1.930 nan 8.290 nan 0.000 0.514 363 T N -2.245 112.301 114.554 -0.014 0.000 3.057 363 T HA 0.503 4.852 4.350 -0.001 0.000 0.254 363 T C 1.008 175.704 174.700 -0.008 0.000 1.094 363 T CA 0.443 62.542 62.100 -0.001 0.000 1.088 363 T CB 0.570 69.450 68.868 0.021 0.000 0.934 363 T HN 0.356 nan 8.240 nan 0.000 0.497 364 I N 3.640 124.200 120.570 -0.017 0.000 2.359 364 I HA 0.446 4.616 4.170 -0.001 0.000 0.294 364 I C -2.661 173.466 176.117 0.017 0.000 0.987 364 I CA -3.036 58.256 61.300 -0.013 0.000 1.225 364 I CB 1.298 39.280 38.000 -0.031 0.000 1.366 364 I HN -0.015 nan 8.210 nan 0.000 0.466 365 P HA 0.226 nan 4.420 nan 0.000 0.286 365 P C -0.828 176.599 177.300 0.211 0.000 1.261 365 P CA -0.394 62.776 63.100 0.118 0.000 0.821 365 P CB 1.141 32.923 31.700 0.135 0.000 1.013 366 D N 2.687 123.144 120.400 0.094 0.000 2.345 366 D HA 0.101 4.740 4.640 -0.001 0.000 0.247 366 D C -1.055 175.080 176.300 -0.275 0.000 1.108 366 D CA -1.924 52.060 54.000 -0.027 0.000 0.894 366 D CB 0.594 41.378 40.800 -0.027 0.000 1.203 366 D HN 0.161 nan 8.370 nan 0.000 0.430 367 P HA -0.124 nan 4.420 nan 0.000 0.218 367 P C 0.091 176.632 177.300 -1.265 0.000 1.148 367 P CA 1.189 63.375 63.100 -1.524 0.000 0.822 367 P CB 0.037 31.084 31.700 -1.088 0.000 0.784 368 F N -1.542 118.218 119.950 -0.317 0.000 2.841 368 F HA 0.499 5.026 4.527 -0.001 0.000 0.358 368 F C 1.488 177.214 175.800 -0.124 0.000 1.261 368 F CA 0.121 58.000 58.000 -0.202 0.000 1.233 368 F CB 0.325 39.215 39.000 -0.183 0.000 1.008 368 F HN 0.014 nan 8.300 nan 0.000 0.507 369 G N -0.095 108.683 108.800 -0.036 0.000 2.176 369 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.253 369 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.253 369 G C 0.944 175.847 174.900 0.005 0.000 0.979 369 G CA -0.195 44.902 45.100 -0.005 0.000 0.641 369 G HN 0.797 nan 8.290 nan 0.000 0.530 370 G N 0.682 109.487 108.800 0.008 0.000 2.527 370 G HA2 0.486 4.445 3.960 -0.001 0.000 0.279 370 G HA3 0.486 4.445 3.960 -0.001 0.000 0.279 370 G C -1.198 173.704 174.900 0.003 0.000 1.374 370 G CA 0.216 45.319 45.100 0.006 0.000 1.053 370 G HN 0.426 nan 8.290 nan 0.000 0.539 371 P HA 0.326 nan 4.420 nan 0.000 0.276 371 P C 0.481 177.781 177.300 -0.001 0.000 1.244 371 P CA -0.181 62.918 63.100 -0.001 0.000 0.801 371 P CB 0.524 32.222 31.700 -0.004 0.000 1.006 372 G N 1.663 110.463 108.800 0.000 0.000 2.614 372 G HA2 0.246 4.205 3.960 -0.001 0.000 0.239 372 G HA3 0.246 4.205 3.960 -0.001 0.000 0.239 372 G C -0.185 174.707 174.900 -0.012 0.000 1.240 372 G CA -0.352 44.747 45.100 -0.001 0.000 0.842 372 G HN 0.430 nan 8.290 nan 0.000 0.584 373 R N -0.588 119.900 120.500 -0.019 0.000 2.923 373 R HA 0.590 4.929 4.340 -0.001 0.000 0.252 373 R C -0.076 176.192 176.300 -0.054 0.000 1.130 373 R CA -0.670 55.408 56.100 -0.036 0.000 1.043 373 R CB 1.552 31.827 30.300 -0.041 0.000 1.205 373 R HN 0.520 nan 8.270 nan 0.000 0.495 374 S N 1.429 117.086 115.700 -0.070 0.000 2.646 374 S HA 0.380 4.850 4.470 -0.001 0.000 0.276 374 S C -2.427 172.095 174.600 -0.130 0.000 1.222 374 S CA -1.289 56.845 58.200 -0.111 0.000 1.014 374 S CB 1.113 64.251 63.200 -0.104 0.000 0.991 374 S HN 0.331 nan 8.310 nan 0.000 0.533 375 P HA 0.117 nan 4.420 nan 0.000 0.262 375 P C -0.501 176.870 177.300 0.118 0.000 1.182 375 P CA 0.175 63.181 63.100 -0.157 0.000 0.761 375 P CB 0.109 31.445 31.700 -0.607 0.000 0.795 376 T N 1.106 115.722 114.554 0.102 0.000 2.900 376 T HA 0.814 5.164 4.350 -0.001 0.000 0.295 376 T C -0.461 174.112 174.700 -0.211 0.000 1.044 376 T CA -0.886 61.241 62.100 0.045 0.000 0.995 376 T CB 1.319 70.124 68.868 -0.106 0.000 1.072 376 T HN 0.105 nan 8.240 nan 0.000 0.473 377 M N 1.769 121.162 119.600 -0.345 0.000 2.631 377 M HA 0.498 4.978 4.480 -0.001 0.000 0.288 377 M C -0.933 175.303 176.300 -0.106 0.000 1.260 377 M CA -0.786 54.296 55.300 -0.364 0.000 0.842 377 M CB 2.306 34.359 32.600 -0.912 0.000 1.743 377 M HN 0.634 nan 8.290 nan 0.000 0.461 378 L N 0.437 121.693 121.223 0.056 0.000 2.468 378 L HA 0.458 4.798 4.340 -0.001 0.000 0.254 378 L C 1.585 178.558 176.870 0.172 0.000 1.171 378 L CA -0.304 54.621 54.840 0.141 0.000 0.809 378 L CB 0.421 42.603 42.059 0.206 0.000 1.155 378 L HN 0.961 nan 8.230 nan 0.000 0.473 379 A N 0.337 123.316 122.820 0.265 0.000 1.917 379 A HA -0.213 4.107 4.320 -0.001 0.000 0.219 379 A C 2.190 179.826 177.584 0.086 0.000 1.182 379 A CA 2.469 54.666 52.037 0.267 0.000 0.633 379 A CB -1.199 17.943 19.000 0.237 0.000 0.819 379 A HN 0.945 nan 8.150 nan 0.000 0.448 380 T N -2.468 112.151 114.554 0.108 0.000 2.915 380 T HA -0.123 4.227 4.350 -0.001 0.000 0.269 380 T C 1.278 175.988 174.700 0.016 0.000 1.071 380 T CA 1.405 63.549 62.100 0.073 0.000 1.132 380 T CB -0.397 68.551 68.868 0.133 0.000 0.878 380 T HN 0.439 nan 8.240 nan 0.000 0.479 381 D N 1.088 121.514 120.400 0.043 0.000 2.183 381 D HA 0.045 4.684 4.640 -0.001 0.000 0.203 381 D C 1.851 178.061 176.300 -0.150 0.000 0.969 381 D CA 0.610 54.632 54.000 0.037 0.000 0.842 381 D CB -0.125 40.739 40.800 0.107 0.000 0.957 381 D HN 0.312 nan 8.370 nan 0.000 0.484 382 L N 0.790 121.855 121.223 -0.263 0.000 2.313 382 L HA -0.023 4.316 4.340 -0.001 0.000 0.214 382 L C 2.321 179.064 176.870 -0.212 0.000 1.119 382 L CA 0.714 55.331 54.840 -0.371 0.000 0.809 382 L CB -0.212 41.492 42.059 -0.590 0.000 0.933 382 L HN -0.159 nan 8.230 nan 0.000 0.449 383 S N -0.364 115.265 115.700 -0.119 0.000 2.402 383 S HA -0.162 4.308 4.470 -0.001 0.000 0.233 383 S C 1.829 176.441 174.600 0.019 0.000 1.030 383 S CA 1.159 59.346 58.200 -0.022 0.000 1.003 383 S CB -0.353 62.850 63.200 0.006 0.000 0.813 383 S HN 0.386 nan 8.310 nan 0.000 0.477 384 L N 0.253 121.418 121.223 -0.096 0.000 2.465 384 L HA 0.084 4.424 4.340 -0.001 0.000 0.224 384 L C 2.466 179.345 176.870 0.016 0.000 1.145 384 L CA 0.787 55.577 54.840 -0.083 0.000 0.834 384 L CB -0.212 41.780 42.059 -0.111 0.000 0.944 384 L HN 0.203 nan 8.230 nan 0.000 0.451 385 R N -1.246 119.207 120.500 -0.079 0.000 2.310 385 R HA 0.072 4.412 4.340 -0.001 0.000 0.199 385 R C 1.783 178.058 176.300 -0.042 0.000 0.891 385 R CA 0.261 56.273 56.100 -0.147 0.000 1.060 385 R CB 0.556 30.587 30.300 -0.449 0.000 1.188 385 R HN 0.082 nan 8.270 nan 0.000 0.607 386 V N 0.835 120.723 119.914 -0.043 0.000 2.685 386 V HA -0.022 4.098 4.120 -0.001 0.000 0.244 386 V C 0.321 176.423 176.094 0.012 0.000 1.054 386 V CA 0.824 63.110 62.300 -0.023 0.000 1.076 386 V CB -0.044 31.746 31.823 -0.056 0.000 0.725 386 V HN 0.271 nan 8.190 nan 0.000 0.467 387 D N 0.683 121.113 120.400 0.050 0.000 2.371 387 D HA 0.081 4.721 4.640 -0.001 0.000 0.256 387 D C -1.298 175.002 176.300 0.000 0.000 1.193 387 D CA -1.376 52.640 54.000 0.027 0.000 0.881 387 D CB 1.458 42.297 40.800 0.065 0.000 1.143 387 D HN 0.017 nan 8.370 nan 0.000 0.473 388 P HA -0.250 nan 4.420 nan 0.000 0.219 388 P C 1.399 178.660 177.300 -0.065 0.000 1.161 388 P CA 1.434 64.510 63.100 -0.041 0.000 0.909 388 P CB 0.083 31.751 31.700 -0.053 0.000 0.793 389 I N -2.933 117.553 120.570 -0.140 0.000 2.163 389 I HA -0.262 3.907 4.170 -0.001 0.000 0.240 389 I C 2.532 178.578 176.117 -0.118 0.000 1.081 389 I CA 1.501 62.694 61.300 -0.178 0.000 1.353 389 I CB -0.897 36.929 38.000 -0.290 0.000 1.054 389 I HN -0.117 nan 8.210 nan 0.000 0.407 390 Y N 1.147 121.400 120.300 -0.077 0.000 2.274 390 Y HA -0.204 4.345 4.550 -0.001 0.000 0.290 390 Y C 2.586 178.438 175.900 -0.080 0.000 1.145 390 Y CA 0.687 58.728 58.100 -0.098 0.000 1.203 390 Y CB -0.825 37.586 38.460 -0.080 0.000 0.984 390 Y HN 0.193 nan 8.280 nan 0.000 0.533 391 E N 0.462 120.735 120.200 0.122 0.000 2.021 391 E HA -0.258 4.092 4.350 -0.001 0.000 0.200 391 E C 2.278 178.882 176.600 0.008 0.000 1.015 391 E CA 1.663 58.129 56.400 0.110 0.000 0.824 391 E CB -0.174 29.573 29.700 0.079 0.000 0.762 391 E HN 0.485 nan 8.360 nan 0.000 0.454 392 R N 0.038 120.510 120.500 -0.047 0.000 2.091 392 R HA -0.137 4.203 4.340 -0.001 0.000 0.238 392 R C 2.562 178.743 176.300 -0.198 0.000 1.136 392 R CA 1.367 57.407 56.100 -0.100 0.000 0.959 392 R CB -0.456 29.793 30.300 -0.084 0.000 0.856 392 R HN 0.257 nan 8.270 nan 0.000 0.437 393 I N 0.484 120.898 120.570 -0.260 0.000 2.202 393 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 393 I C 2.568 178.154 176.117 -0.884 0.000 1.091 393 I CA 1.776 62.735 61.300 -0.568 0.000 1.368 393 I CB -0.509 37.201 38.000 -0.483 0.000 1.058 393 I HN 0.311 nan 8.210 nan 0.000 0.410 394 T N -1.923 112.362 114.554 -0.449 0.000 3.014 394 T HA -0.002 4.347 4.350 -0.001 0.000 0.263 394 T C 2.018 176.645 174.700 -0.122 0.000 1.078 394 T CA 0.342 62.322 62.100 -0.199 0.000 1.135 394 T CB -0.225 68.743 68.868 0.165 0.000 0.895 394 T HN 0.202 nan 8.240 nan 0.000 0.480 395 R N 0.537 120.880 120.500 -0.262 0.000 2.148 395 R HA 0.125 4.464 4.340 -0.001 0.000 0.223 395 R C 2.710 178.866 176.300 -0.240 0.000 1.088 395 R CA 0.895 56.721 56.100 -0.457 0.000 0.985 395 R CB -0.181 29.869 30.300 -0.417 0.000 0.880 395 R HN 0.263 nan 8.270 nan 0.000 0.451 396 R N 0.202 120.594 120.500 -0.180 0.000 2.081 396 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 396 R C 1.447 177.846 176.300 0.166 0.000 1.131 396 R CA 1.517 57.605 56.100 -0.020 0.000 0.960 396 R CB -0.307 29.914 30.300 -0.131 0.000 0.856 396 R HN 0.232 nan 8.270 nan 0.000 0.436 397 W N -0.030 121.299 121.300 0.048 0.000 2.770 397 W HA 0.110 4.769 4.660 -0.001 0.000 0.256 397 W C 1.540 178.047 176.519 -0.020 0.000 1.291 397 W CA -0.311 57.065 57.345 0.051 0.000 1.396 397 W CB -0.861 28.632 29.460 0.055 0.000 1.114 397 W HN 0.186 nan 8.180 nan 0.000 0.637 398 L N 1.416 122.701 121.223 0.104 0.000 2.012 398 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 398 L C 1.840 178.658 176.870 -0.086 0.000 1.073 398 L CA 2.208 57.033 54.840 -0.025 0.000 0.748 398 L CB -0.813 41.127 42.059 -0.197 0.000 0.891 398 L HN -0.056 nan 8.230 nan 0.000 0.431 399 E N -1.924 118.168 120.200 -0.181 0.000 2.318 399 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 399 E C -0.012 176.206 176.600 -0.637 0.000 0.998 399 E CA 0.481 56.627 56.400 -0.425 0.000 0.859 399 E CB 0.085 29.434 29.700 -0.584 0.000 0.812 399 E HN 0.539 nan 8.360 nan 0.000 0.492 400 H N -0.169 118.961 119.070 0.100 0.000 2.379 400 H HA 0.163 4.719 4.556 -0.001 0.000 0.229 400 H C -2.090 173.339 175.328 0.169 0.000 1.423 400 H CA -1.925 54.200 56.048 0.130 0.000 1.375 400 H CB 0.749 30.599 29.762 0.146 0.000 1.592 400 H HN 0.059 nan 8.280 nan 0.000 0.507 401 P HA -0.194 nan 4.420 nan 0.000 0.221 401 P C 1.698 179.086 177.300 0.148 0.000 1.145 401 P CA 1.153 64.327 63.100 0.124 0.000 0.795 401 P CB 0.429 32.166 31.700 0.061 0.000 0.775 402 E N 0.944 121.246 120.200 0.170 0.000 2.208 402 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 402 E C 1.451 178.129 176.600 0.130 0.000 0.988 402 E CA 1.160 57.658 56.400 0.163 0.000 0.828 402 E CB -0.823 28.962 29.700 0.141 0.000 0.763 402 E HN 0.326 nan 8.360 nan 0.000 0.478 403 E N 0.512 120.792 120.200 0.135 0.000 2.204 403 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 403 E C 2.079 178.543 176.600 -0.228 0.000 0.989 403 E CA 0.723 57.182 56.400 0.099 0.000 0.824 403 E CB -0.097 29.797 29.700 0.324 0.000 0.756 403 E HN 0.177 nan 8.360 nan 0.000 0.477 404 L N 0.754 121.690 121.223 -0.478 0.000 2.044 404 L HA -0.029 4.310 4.340 -0.001 0.000 0.205 404 L C 2.203 178.985 176.870 -0.147 0.000 1.075 404 L CA 1.889 56.219 54.840 -0.849 0.000 0.747 404 L CB -0.572 41.114 42.059 -0.622 0.000 0.903 404 L HN 0.007 nan 8.230 nan 0.000 0.435 405 A N -0.514 122.456 122.820 0.250 0.000 1.883 405 A HA -0.308 4.011 4.320 -0.001 0.000 0.217 405 A C 2.083 179.857 177.584 0.317 0.000 1.186 405 A CA 2.065 54.390 52.037 0.480 0.000 0.624 405 A CB -1.207 18.070 19.000 0.462 0.000 0.822 405 A HN 0.603 nan 8.150 nan 0.000 0.444 406 D N -0.738 119.754 120.400 0.153 0.000 2.104 406 D HA -0.161 4.479 4.640 -0.001 0.000 0.194 406 D C 1.954 178.327 176.300 0.122 0.000 0.994 406 D CA 1.616 55.689 54.000 0.121 0.000 0.830 406 D CB -0.035 40.824 40.800 0.098 0.000 0.959 406 D HN 0.431 nan 8.370 nan 0.000 0.452 407 E N -0.852 119.382 120.200 0.057 0.000 2.158 407 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 407 E C 1.882 178.554 176.600 0.120 0.000 0.982 407 E CA 0.246 56.688 56.400 0.069 0.000 0.823 407 E CB -0.300 29.419 29.700 0.032 0.000 0.766 407 E HN 0.394 nan 8.360 nan 0.000 0.468 408 F N 1.686 121.605 119.950 -0.051 0.000 2.206 408 F HA 0.018 4.545 4.527 -0.001 0.000 0.298 408 F C 2.151 178.063 175.800 0.187 0.000 1.090 408 F CA 0.944 58.933 58.000 -0.019 0.000 1.323 408 F CB -0.343 38.530 39.000 -0.212 0.000 1.028 408 F HN -0.063 nan 8.300 nan 0.000 0.492 409 A N 0.778 123.744 122.820 0.242 0.000 1.877 409 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 409 A C 2.295 179.956 177.584 0.129 0.000 1.186 409 A CA 1.895 54.074 52.037 0.237 0.000 0.620 409 A CB -0.632 18.497 19.000 0.215 0.000 0.822 409 A HN 0.436 nan 8.150 nan 0.000 0.443 410 K N -0.294 120.146 120.400 0.067 0.000 2.057 410 K HA 0.013 4.332 4.320 -0.001 0.000 0.206 410 K C 2.318 178.942 176.600 0.040 0.000 1.050 410 K CA 1.064 57.335 56.287 -0.026 0.000 0.935 410 K CB -0.314 32.188 32.500 0.004 0.000 0.715 410 K HN 0.418 nan 8.250 nan 0.000 0.439 411 A N 1.815 124.668 122.820 0.055 0.000 1.873 411 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 411 A C 1.931 179.527 177.584 0.021 0.000 1.186 411 A CA 0.911 52.967 52.037 0.033 0.000 0.616 411 A CB -0.945 18.121 19.000 0.110 0.000 0.823 411 A HN 0.601 nan 8.150 nan 0.000 0.442 412 W N -0.540 120.633 121.300 -0.211 0.000 2.363 412 W HA -0.252 4.407 4.660 -0.001 0.000 0.296 412 W C 1.954 178.474 176.519 0.001 0.000 1.212 412 W CA 1.971 59.188 57.345 -0.214 0.000 1.260 412 W CB -0.456 28.674 29.460 -0.551 0.000 1.131 412 W HN 0.510 nan 8.180 nan 0.000 0.530 413 Y N 1.775 122.124 120.300 0.081 0.000 2.145 413 Y HA -0.272 4.278 4.550 -0.001 0.000 0.286 413 Y C 2.843 178.807 175.900 0.106 0.000 1.145 413 Y CA 3.138 61.348 58.100 0.182 0.000 1.148 413 Y CB -0.822 37.723 38.460 0.142 0.000 0.981 413 Y HN -0.119 nan 8.280 nan 0.000 0.507 414 K N -0.042 120.312 120.400 -0.076 0.000 2.032 414 K HA -0.248 4.071 4.320 -0.001 0.000 0.209 414 K C 2.120 178.343 176.600 -0.629 0.000 1.048 414 K CA 1.704 57.550 56.287 -0.734 0.000 0.927 414 K CB -0.598 31.328 32.500 -0.956 0.000 0.712 414 K HN 0.387 nan 8.250 nan 0.000 0.441 415 L N 2.109 123.075 121.223 -0.429 0.000 1.963 415 L HA -0.200 4.140 4.340 -0.001 0.000 0.220 415 L C 2.022 178.594 176.870 -0.497 0.000 1.076 415 L CA 2.100 56.705 54.840 -0.391 0.000 0.772 415 L CB -0.561 41.314 42.059 -0.306 0.000 0.892 415 L HN 0.430 nan 8.230 nan 0.000 0.435 416 I N -3.893 116.290 120.570 -0.644 0.000 3.564 416 I HA -0.013 4.156 4.170 -0.001 0.000 0.294 416 I C 0.968 176.581 176.117 -0.839 0.000 1.289 416 I CA 0.800 61.677 61.300 -0.705 0.000 1.325 416 I CB -0.700 36.833 38.000 -0.779 0.000 1.039 416 I HN 0.372 nan 8.210 nan 0.000 0.474 417 H N -0.448 118.332 119.070 -0.483 0.000 3.360 417 H HA 0.309 4.865 4.556 -0.001 0.000 0.262 417 H C 1.825 177.022 175.328 -0.218 0.000 1.149 417 H CA -0.379 55.425 56.048 -0.406 0.000 1.181 417 H CB 0.312 29.857 29.762 -0.361 0.000 1.564 417 H HN 0.009 nan 8.280 nan 0.000 0.565 418 R N 1.372 121.677 120.500 -0.324 0.000 2.133 418 R HA -0.126 4.213 4.340 -0.001 0.000 0.247 418 R C 0.430 176.540 176.300 -0.318 0.000 1.151 418 R CA 1.895 57.728 56.100 -0.444 0.000 0.971 418 R CB -0.105 29.663 30.300 -0.886 0.000 0.866 418 R HN 0.606 nan 8.270 nan 0.000 0.447 419 D N -1.892 118.325 120.400 -0.305 0.000 2.462 419 D HA 0.000 4.640 4.640 -0.001 0.000 0.221 419 D C 1.210 177.447 176.300 -0.106 0.000 1.173 419 D CA -0.079 53.833 54.000 -0.147 0.000 0.831 419 D CB 0.003 40.762 40.800 -0.069 0.000 1.001 419 D HN 0.141 nan 8.370 nan 0.000 0.499 420 M N 0.496 120.024 119.600 -0.120 0.000 2.561 420 M HA 0.194 4.673 4.480 -0.001 0.000 0.238 420 M C 1.153 177.395 176.300 -0.097 0.000 1.131 420 M CA 0.581 55.773 55.300 -0.181 0.000 1.046 420 M CB 0.259 32.617 32.600 -0.403 0.000 1.532 420 M HN 0.276 nan 8.290 nan 0.000 0.497 421 G N 1.466 110.272 108.800 0.009 0.000 2.552 421 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.265 421 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.265 421 G C -2.612 172.347 174.900 0.097 0.000 1.234 421 G CA -0.986 44.139 45.100 0.041 0.000 0.944 421 G HN 0.223 nan 8.290 nan 0.000 0.568 422 P HA 0.258 nan 4.420 nan 0.000 0.265 422 P C 1.096 178.446 177.300 0.083 0.000 1.193 422 P CA 0.250 63.413 63.100 0.106 0.000 0.765 422 P CB 1.123 32.958 31.700 0.224 0.000 0.823 423 V N 3.843 123.728 119.914 -0.048 0.000 2.594 423 V HA -0.281 3.838 4.120 -0.001 0.000 0.253 423 V C 2.080 178.173 176.094 -0.002 0.000 1.069 423 V CA 2.466 64.625 62.300 -0.235 0.000 1.082 423 V CB -1.351 30.166 31.823 -0.511 0.000 0.680 423 V HN 0.697 nan 8.190 nan 0.000 0.469 424 A N 0.257 123.099 122.820 0.037 0.000 2.023 424 A HA -0.327 3.993 4.320 -0.001 0.000 0.223 424 A C 2.223 179.870 177.584 0.105 0.000 1.180 424 A CA 2.380 54.465 52.037 0.081 0.000 0.659 424 A CB -0.630 18.449 19.000 0.131 0.000 0.817 424 A HN 0.660 nan 8.150 nan 0.000 0.466 425 R N -2.218 118.344 120.500 0.103 0.000 2.275 425 R HA 0.060 4.400 4.340 -0.001 0.000 0.199 425 R C -0.433 175.919 176.300 0.086 0.000 0.989 425 R CA 0.091 56.198 56.100 0.012 0.000 1.016 425 R CB -0.093 30.078 30.300 -0.215 0.000 0.918 425 R HN 0.659 nan 8.270 nan 0.000 0.473 426 Y N 1.308 121.566 120.300 -0.071 0.000 2.336 426 Y HA 0.260 4.810 4.550 -0.001 0.000 0.335 426 Y C 0.366 176.260 175.900 -0.009 0.000 1.046 426 Y CA -0.607 57.457 58.100 -0.059 0.000 1.198 426 Y CB 0.726 39.135 38.460 -0.085 0.000 1.182 426 Y HN -0.182 nan 8.280 nan 0.000 0.502 427 L N 2.730 124.042 121.223 0.148 0.000 2.323 427 L HA 0.906 5.245 4.340 -0.001 0.000 0.265 427 L C 0.324 177.321 176.870 0.212 0.000 1.012 427 L CA -0.914 54.004 54.840 0.131 0.000 0.820 427 L CB 2.070 44.165 42.059 0.060 0.000 1.334 427 L HN 0.866 nan 8.230 nan 0.000 0.427 428 G N 1.278 110.152 108.800 0.123 0.000 2.592 428 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.684 428 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.684 428 G C -2.519 172.458 174.900 0.127 0.000 1.291 428 G CA -0.361 44.814 45.100 0.124 0.000 0.891 428 G HN 0.497 nan 8.290 nan 0.000 0.544 429 P HA 0.155 nan 4.420 nan 0.000 0.241 429 P C 1.446 178.817 177.300 0.119 0.000 1.191 429 P CA 0.697 63.848 63.100 0.084 0.000 0.771 429 P CB 0.035 31.766 31.700 0.053 0.000 0.929 430 L N -1.258 120.090 121.223 0.208 0.000 2.640 430 L HA 0.188 4.528 4.340 -0.001 0.000 0.230 430 L C 0.510 177.509 176.870 0.215 0.000 1.123 430 L CA -0.269 54.706 54.840 0.225 0.000 0.900 430 L CB 0.104 42.375 42.059 0.353 0.000 1.146 430 L HN -0.321 nan 8.230 nan 0.000 0.484 431 V N 3.422 123.450 119.914 0.191 0.000 2.446 431 V HA 0.144 4.263 4.120 -0.001 0.000 0.276 431 V C -1.544 174.577 176.094 0.045 0.000 1.030 431 V CA -1.069 61.332 62.300 0.168 0.000 1.033 431 V CB 0.086 32.004 31.823 0.159 0.000 0.993 431 V HN 0.118 nan 8.190 nan 0.000 0.477 432 P HA 0.353 nan 4.420 nan 0.000 0.279 432 P C 0.024 177.254 177.300 -0.116 0.000 1.252 432 P CA -0.711 62.287 63.100 -0.169 0.000 0.811 432 P CB 1.554 32.969 31.700 -0.474 0.000 1.035 433 K N -0.635 119.688 120.400 -0.128 0.000 2.296 433 K HA -0.024 4.296 4.320 -0.001 0.000 0.200 433 K C 1.204 177.754 176.600 -0.083 0.000 1.048 433 K CA 0.658 56.888 56.287 -0.095 0.000 0.966 433 K CB -0.304 32.145 32.500 -0.084 0.000 0.754 433 K HN 0.480 nan 8.250 nan 0.000 0.466 434 Q N 1.694 121.454 119.800 -0.067 0.000 2.263 434 Q HA -0.039 4.301 4.340 -0.001 0.000 0.289 434 Q C -0.665 175.316 176.000 -0.032 0.000 1.061 434 Q CA 0.137 55.938 55.803 -0.003 0.000 0.927 434 Q CB 0.442 29.254 28.738 0.124 0.000 1.154 434 Q HN 0.261 nan 8.270 nan 0.000 0.378 435 T N 2.114 116.624 114.554 -0.073 0.000 2.869 435 T HA 0.482 4.832 4.350 -0.001 0.000 0.295 435 T C -0.144 174.456 174.700 -0.166 0.000 0.987 435 T CA -0.659 61.358 62.100 -0.139 0.000 1.109 435 T CB 0.490 69.292 68.868 -0.110 0.000 0.932 435 T HN 0.463 nan 8.240 nan 0.000 0.518 436 L N 4.225 125.258 121.223 -0.317 0.000 2.356 436 L HA 0.390 4.730 4.340 -0.001 0.000 0.277 436 L C 1.292 177.920 176.870 -0.403 0.000 0.996 436 L CA -1.106 53.485 54.840 -0.414 0.000 0.822 436 L CB 1.720 43.309 42.059 -0.784 0.000 1.256 436 L HN 0.578 nan 8.230 nan 0.000 0.413 437 L N 4.343 125.469 121.223 -0.161 0.000 2.103 437 L HA -0.207 4.133 4.340 -0.001 0.000 0.215 437 L C 2.051 178.941 176.870 0.033 0.000 1.080 437 L CA 2.102 56.927 54.840 -0.024 0.000 0.764 437 L CB -0.495 41.609 42.059 0.076 0.000 0.890 437 L HN 0.819 nan 8.230 nan 0.000 0.435 438 W N -1.212 120.112 121.300 0.039 0.000 2.699 438 W HA -0.047 4.613 4.660 -0.001 0.000 0.249 438 W C 1.332 177.857 176.519 0.010 0.000 1.280 438 W CA 0.236 57.598 57.345 0.029 0.000 1.345 438 W CB -1.037 28.434 29.460 0.018 0.000 1.128 438 W HN 0.338 nan 8.180 nan 0.000 0.642 439 Q N 1.008 120.549 119.800 -0.432 0.000 2.444 439 Q HA -0.053 4.287 4.340 -0.001 0.000 0.206 439 Q C -0.237 175.698 176.000 -0.110 0.000 0.948 439 Q CA 0.423 55.997 55.803 -0.381 0.000 0.946 439 Q CB -0.348 27.984 28.738 -0.676 0.000 1.027 439 Q HN 0.077 nan 8.270 nan 0.000 0.513 440 D N 0.902 121.305 120.400 0.005 0.000 2.737 440 D HA -0.140 4.500 4.640 -0.001 0.000 0.233 440 D C -2.294 174.071 176.300 0.107 0.000 1.155 440 D CA 0.629 54.715 54.000 0.144 0.000 0.667 440 D CB -0.972 39.951 40.800 0.205 0.000 1.060 440 D HN 0.349 nan 8.370 nan 0.000 0.427 441 P HA 0.055 nan 4.420 nan 0.000 0.269 441 P C 0.176 177.475 177.300 -0.002 0.000 1.211 441 P CA -0.094 62.979 63.100 -0.045 0.000 0.781 441 P CB 0.803 32.449 31.700 -0.090 0.000 0.877 442 V N -2.264 117.645 119.914 -0.008 0.000 2.864 442 V HA 0.632 4.751 4.120 -0.001 0.000 0.314 442 V C -2.680 173.406 176.094 -0.013 0.000 1.073 442 V CA -2.975 59.327 62.300 0.003 0.000 0.956 442 V CB 0.792 32.627 31.823 0.020 0.000 1.023 442 V HN 0.309 nan 8.190 nan 0.000 0.435 443 P HA 0.346 nan 4.420 nan 0.000 0.268 443 P C -0.144 177.146 177.300 -0.017 0.000 1.208 443 P CA 0.338 63.429 63.100 -0.014 0.000 0.777 443 P CB 0.327 32.024 31.700 -0.005 0.000 0.875 444 A N 2.363 125.167 122.820 -0.028 0.000 2.351 444 A HA 0.227 4.546 4.320 -0.001 0.000 0.257 444 A C -0.014 177.553 177.584 -0.029 0.000 1.087 444 A CA -0.501 51.518 52.037 -0.030 0.000 0.798 444 A CB 0.034 19.011 19.000 -0.039 0.000 1.033 444 A HN 0.402 nan 8.150 nan 0.000 0.488 445 V N 2.707 122.607 119.914 -0.023 0.000 2.434 445 V HA 0.054 4.174 4.120 -0.001 0.000 0.281 445 V C 1.381 177.444 176.094 -0.052 0.000 1.005 445 V CA 1.382 63.672 62.300 -0.017 0.000 1.089 445 V CB 0.302 32.123 31.823 -0.003 0.000 0.978 445 V HN 1.088 nan 8.190 nan 0.000 0.474 446 S N 3.517 119.160 115.700 -0.095 0.000 2.554 446 S HA 0.287 4.756 4.470 -0.001 0.000 0.226 446 S C 0.385 174.666 174.600 -0.531 0.000 0.980 446 S CA -0.325 57.719 58.200 -0.260 0.000 0.939 446 S CB 0.095 63.123 63.200 -0.286 0.000 0.832 446 S HN 0.782 nan 8.310 nan 0.000 0.486 447 H N 0.375 119.461 119.070 0.027 0.000 2.966 447 H HA 0.439 4.994 4.556 -0.001 0.000 0.330 447 H C -1.354 173.997 175.328 0.038 0.000 1.292 447 H CA -0.763 55.305 56.048 0.034 0.000 1.127 447 H CB 0.725 30.516 29.762 0.048 0.000 1.863 447 H HN 0.161 nan 8.280 nan 0.000 0.543 448 D N 1.122 121.645 120.400 0.206 0.000 2.399 448 D HA 0.140 4.780 4.640 -0.001 0.000 0.241 448 D C 0.472 176.851 176.300 0.131 0.000 1.133 448 D CA 0.024 54.100 54.000 0.127 0.000 0.890 448 D CB 0.881 41.742 40.800 0.101 0.000 1.201 448 D HN 0.175 nan 8.370 nan 0.000 0.432 449 L N 0.842 122.122 121.223 0.096 0.000 2.399 449 L HA 0.222 4.561 4.340 -0.001 0.000 0.266 449 L C 0.314 177.246 176.870 0.104 0.000 1.114 449 L CA -1.251 53.644 54.840 0.091 0.000 0.804 449 L CB 1.044 43.136 42.059 0.055 0.000 1.146 449 L HN 0.187 nan 8.230 nan 0.000 0.451 450 V N 0.136 120.112 119.914 0.103 0.000 2.509 450 V HA 0.254 4.374 4.120 -0.001 0.000 0.297 450 V C 0.811 176.960 176.094 0.092 0.000 1.014 450 V CA -0.346 62.011 62.300 0.096 0.000 1.127 450 V CB -0.430 31.387 31.823 -0.010 0.000 0.925 450 V HN 0.825 nan 8.190 nan 0.000 0.480 451 G N 2.657 111.513 108.800 0.094 0.000 2.543 451 G HA2 0.311 4.271 3.960 -0.001 0.000 0.290 451 G HA3 0.311 4.271 3.960 -0.001 0.000 0.290 451 G C 0.496 175.438 174.900 0.069 0.000 1.310 451 G CA 0.080 45.224 45.100 0.074 0.000 1.025 451 G HN 0.893 nan 8.290 nan 0.000 0.502 452 E N -0.786 119.448 120.200 0.057 0.000 2.114 452 E HA -0.244 4.105 4.350 -0.001 0.000 0.199 452 E C 2.554 179.179 176.600 0.042 0.000 1.008 452 E CA 1.646 58.076 56.400 0.049 0.000 0.810 452 E CB -0.198 29.525 29.700 0.039 0.000 0.739 452 E HN 0.448 nan 8.360 nan 0.000 0.456 453 A N 0.235 123.085 122.820 0.050 0.000 1.968 453 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 453 A C 1.828 179.453 177.584 0.068 0.000 1.169 453 A CA 1.410 53.478 52.037 0.051 0.000 0.638 453 A CB -0.229 18.803 19.000 0.053 0.000 0.812 453 A HN 0.198 nan 8.150 nan 0.000 0.446 454 E N 0.042 120.296 120.200 0.090 0.000 2.112 454 E HA 0.012 4.361 4.350 -0.001 0.000 0.190 454 E C 1.750 178.329 176.600 -0.035 0.000 0.979 454 E CA 0.770 57.244 56.400 0.123 0.000 0.814 454 E CB -0.292 29.536 29.700 0.213 0.000 0.762 454 E HN 0.672 nan 8.360 nan 0.000 0.460 455 I N 0.889 121.429 120.570 -0.050 0.000 2.163 455 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 455 I C 2.326 178.383 176.117 -0.101 0.000 1.085 455 I CA 1.269 62.500 61.300 -0.115 0.000 1.347 455 I CB -0.381 37.603 38.000 -0.027 0.000 1.044 455 I HN 0.102 nan 8.210 nan 0.000 0.408 456 A N -0.249 122.549 122.820 -0.036 0.000 1.933 456 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 456 A C 2.484 180.056 177.584 -0.021 0.000 1.175 456 A CA 2.154 54.176 52.037 -0.025 0.000 0.628 456 A CB -0.738 18.261 19.000 -0.000 0.000 0.814 456 A HN 0.434 nan 8.150 nan 0.000 0.444 457 S N -0.393 115.308 115.700 0.002 0.000 2.348 457 S HA -0.106 4.363 4.470 -0.001 0.000 0.221 457 S C 1.934 176.530 174.600 -0.006 0.000 1.033 457 S CA 1.510 59.727 58.200 0.030 0.000 1.010 457 S CB -0.469 62.796 63.200 0.110 0.000 0.891 457 S HN 0.471 nan 8.310 nan 0.000 0.442 458 L N 1.026 122.206 121.223 -0.073 0.000 2.131 458 L HA -0.041 4.298 4.340 -0.001 0.000 0.210 458 L C 2.733 179.522 176.870 -0.134 0.000 1.092 458 L CA 1.218 55.974 54.840 -0.141 0.000 0.759 458 L CB -0.359 41.514 42.059 -0.311 0.000 0.903 458 L HN 0.285 nan 8.230 nan 0.000 0.435 459 K N -0.481 119.838 120.400 -0.135 0.000 2.032 459 K HA -0.142 4.178 4.320 -0.001 0.000 0.209 459 K C 2.282 178.841 176.600 -0.067 0.000 1.048 459 K CA 1.741 57.960 56.287 -0.113 0.000 0.927 459 K CB -0.143 32.296 32.500 -0.101 0.000 0.712 459 K HN 0.220 nan 8.250 nan 0.000 0.441 460 S N 1.288 116.961 115.700 -0.045 0.000 2.368 460 S HA -0.161 4.309 4.470 -0.001 0.000 0.224 460 S C 1.938 176.527 174.600 -0.018 0.000 1.029 460 S CA 1.110 59.295 58.200 -0.024 0.000 0.988 460 S CB -0.153 63.041 63.200 -0.010 0.000 0.838 460 S HN 0.322 nan 8.310 nan 0.000 0.462 461 Q N 0.514 120.305 119.800 -0.016 0.000 2.050 461 Q HA -0.036 4.303 4.340 -0.001 0.000 0.202 461 Q C 2.173 178.164 176.000 -0.015 0.000 0.980 461 Q CA 1.294 57.094 55.803 -0.005 0.000 0.840 461 Q CB -0.374 28.371 28.738 0.012 0.000 0.898 461 Q HN 0.523 nan 8.270 nan 0.000 0.424 462 I N 0.244 120.792 120.570 -0.036 0.000 2.286 462 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 462 I C 2.285 178.386 176.117 -0.027 0.000 1.115 462 I CA 1.099 62.376 61.300 -0.038 0.000 1.392 462 I CB -0.217 37.742 38.000 -0.067 0.000 1.065 462 I HN 0.124 nan 8.210 nan 0.000 0.418 463 R N 0.592 121.074 120.500 -0.030 0.000 2.189 463 R HA 0.002 4.342 4.340 -0.001 0.000 0.218 463 R C 1.798 178.090 176.300 -0.013 0.000 1.074 463 R CA 1.073 57.160 56.100 -0.023 0.000 0.991 463 R CB -0.117 30.167 30.300 -0.026 0.000 0.883 463 R HN 0.314 nan 8.270 nan 0.000 0.457 464 A N 0.348 123.163 122.820 -0.009 0.000 2.379 464 A HA 0.033 4.353 4.320 -0.001 0.000 0.236 464 A C 1.542 179.126 177.584 0.001 0.000 1.272 464 A CA 0.110 52.145 52.037 -0.003 0.000 0.886 464 A CB 0.152 19.152 19.000 -0.000 0.000 0.962 464 A HN 0.264 nan 8.150 nan 0.000 0.504 465 S N -2.400 113.301 115.700 0.001 0.000 2.548 465 S HA 0.393 4.862 4.470 -0.001 0.000 0.215 465 S C 1.508 176.113 174.600 0.009 0.000 0.976 465 S CA 1.030 59.234 58.200 0.006 0.000 0.908 465 S CB 0.020 63.224 63.200 0.007 0.000 0.781 465 S HN 1.681 nan 8.310 nan 0.000 0.519 466 G N 1.240 110.044 108.800 0.006 0.000 2.284 466 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.230 466 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.230 466 G C 0.039 174.943 174.900 0.008 0.000 1.021 466 G CA 0.018 45.123 45.100 0.007 0.000 0.619 466 G HN 0.516 nan 8.290 nan 0.000 0.510 467 L N 2.649 123.878 121.223 0.009 0.000 2.490 467 L HA 0.398 4.738 4.340 -0.001 0.000 0.274 467 L C 1.588 178.462 176.870 0.006 0.000 1.201 467 L CA 0.626 55.473 54.840 0.011 0.000 0.869 467 L CB 0.513 42.581 42.059 0.014 0.000 1.123 467 L HN 0.522 nan 8.230 nan 0.000 0.484 468 T N -0.784 113.775 114.554 0.008 0.000 2.902 468 T HA 0.266 4.616 4.350 -0.001 0.000 0.280 468 T C 1.284 175.983 174.700 -0.001 0.000 0.992 468 T CA -0.983 61.118 62.100 0.002 0.000 1.015 468 T CB 1.726 70.596 68.868 0.004 0.000 1.044 468 T HN 0.242 nan 8.240 nan 0.000 0.520 469 V N 1.446 121.352 119.914 -0.014 0.000 2.282 469 V HA -0.210 3.909 4.120 -0.001 0.000 0.249 469 V C 3.050 179.135 176.094 -0.015 0.000 1.057 469 V CA 2.555 64.837 62.300 -0.029 0.000 1.032 469 V CB -1.249 30.544 31.823 -0.049 0.000 0.645 469 V HN 1.132 nan 8.190 nan 0.000 0.447 470 S N -0.842 114.854 115.700 -0.006 0.000 2.368 470 S HA -0.377 4.093 4.470 -0.001 0.000 0.226 470 S C 2.062 176.688 174.600 0.043 0.000 1.044 470 S CA 2.543 60.751 58.200 0.012 0.000 1.062 470 S CB -0.355 62.851 63.200 0.010 0.000 0.931 470 S HN 0.699 nan 8.310 nan 0.000 0.440 471 Q N 0.017 119.841 119.800 0.039 0.000 2.096 471 Q HA -0.044 4.296 4.340 -0.001 0.000 0.204 471 Q C 2.356 178.400 176.000 0.074 0.000 0.982 471 Q CA 1.884 57.720 55.803 0.055 0.000 0.850 471 Q CB -0.249 28.513 28.738 0.040 0.000 0.901 471 Q HN 0.569 nan 8.270 nan 0.000 0.422 472 L N -0.789 120.471 121.223 0.061 0.000 2.095 472 L HA -0.119 4.221 4.340 -0.001 0.000 0.204 472 L C 2.245 179.205 176.870 0.149 0.000 1.080 472 L CA 0.497 55.382 54.840 0.075 0.000 0.759 472 L CB -0.241 41.837 42.059 0.033 0.000 0.914 472 L HN 0.082 nan 8.230 nan 0.000 0.439 473 V N -0.786 119.206 119.914 0.131 0.000 2.358 473 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 473 V C 2.544 178.871 176.094 0.388 0.000 1.047 473 V CA 1.907 64.341 62.300 0.225 0.000 1.035 473 V CB -0.213 31.619 31.823 0.016 0.000 0.658 473 V HN 0.383 nan 8.190 nan 0.000 0.452 474 S N 0.037 115.887 115.700 0.251 0.000 2.356 474 S HA -0.204 4.265 4.470 -0.001 0.000 0.223 474 S C 2.065 176.837 174.600 0.286 0.000 1.032 474 S CA 1.989 60.353 58.200 0.272 0.000 1.005 474 S CB -0.530 62.776 63.200 0.177 0.000 0.867 474 S HN 0.681 nan 8.310 nan 0.000 0.449 475 T N 2.574 117.253 114.554 0.208 0.000 2.777 475 T HA 0.008 4.358 4.350 -0.001 0.000 0.266 475 T C 2.208 176.994 174.700 0.143 0.000 1.040 475 T CA 1.185 63.377 62.100 0.153 0.000 1.141 475 T CB -0.573 68.357 68.868 0.103 0.000 0.868 475 T HN 0.468 nan 8.240 nan 0.000 0.444 476 A N 1.367 124.312 122.820 0.208 0.000 1.877 476 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 476 A C 2.163 179.785 177.584 0.062 0.000 1.186 476 A CA 1.351 53.494 52.037 0.176 0.000 0.620 476 A CB -1.070 18.189 19.000 0.433 0.000 0.822 476 A HN 0.746 nan 8.150 nan 0.000 0.443 477 W N 0.721 122.057 121.300 0.060 0.000 2.388 477 W HA -0.092 4.568 4.660 -0.001 0.000 0.294 477 W C 2.275 178.791 176.519 -0.005 0.000 1.212 477 W CA 1.672 58.989 57.345 -0.048 0.000 1.271 477 W CB -0.323 29.225 29.460 0.147 0.000 1.126 477 W HN 0.434 nan 8.180 nan 0.000 0.535 478 A N 1.277 124.183 122.820 0.143 0.000 1.892 478 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 478 A C 2.180 179.740 177.584 -0.041 0.000 1.188 478 A CA 3.053 55.137 52.037 0.078 0.000 0.631 478 A CB -1.315 17.774 19.000 0.148 0.000 0.822 478 A HN 0.321 nan 8.150 nan 0.000 0.447 479 A N -0.863 121.917 122.820 -0.067 0.000 1.898 479 A HA 0.334 4.653 4.320 -0.001 0.000 0.214 479 A C 2.430 179.925 177.584 -0.149 0.000 1.183 479 A CA 1.792 53.782 52.037 -0.079 0.000 0.622 479 A CB -0.764 18.193 19.000 -0.072 0.000 0.824 479 A HN 1.012 nan 8.150 nan 0.000 0.444 480 A N -0.002 122.640 122.820 -0.297 0.000 1.935 480 A HA 0.076 4.395 4.320 -0.001 0.000 0.214 480 A C 2.231 179.559 177.584 -0.425 0.000 1.178 480 A CA 1.596 53.409 52.037 -0.373 0.000 0.640 480 A CB -0.671 18.020 19.000 -0.515 0.000 0.825 480 A HN 0.931 nan 8.150 nan 0.000 0.447 481 S N 0.542 115.833 115.700 -0.682 0.000 2.660 481 S HA -0.011 4.459 4.470 -0.001 0.000 0.223 481 S C 1.435 175.882 174.600 -0.254 0.000 0.963 481 S CA 0.876 58.642 58.200 -0.722 0.000 0.932 481 S CB -0.650 61.690 63.200 -1.434 0.000 0.775 481 S HN 0.723 nan 8.310 nan 0.000 0.531 482 S N 0.225 115.877 115.700 -0.081 0.000 2.603 482 S HA 0.216 4.686 4.470 -0.001 0.000 0.220 482 S C 0.165 174.833 174.600 0.114 0.000 0.967 482 S CA -0.725 57.537 58.200 0.104 0.000 0.920 482 S CB -0.780 62.576 63.200 0.260 0.000 0.773 482 S HN 0.539 nan 8.310 nan 0.000 0.529 483 F N 4.476 124.382 119.950 -0.073 0.000 2.471 483 F HA 0.402 4.929 4.527 -0.001 0.000 0.353 483 F C 0.498 176.271 175.800 -0.045 0.000 1.113 483 F CA -0.795 57.175 58.000 -0.050 0.000 1.262 483 F CB 0.713 39.654 39.000 -0.100 0.000 1.146 483 F HN 0.192 nan 8.300 nan 0.000 0.578 484 R N 3.990 123.999 120.500 -0.819 0.000 2.575 484 R HA 0.512 4.852 4.340 -0.001 0.000 0.293 484 R C 0.252 176.052 176.300 -0.834 0.000 0.983 484 R CA -0.536 55.218 56.100 -0.577 0.000 0.887 484 R CB 1.291 31.413 30.300 -0.298 0.000 1.184 484 R HN 0.768 nan 8.270 nan 0.000 0.445 485 G N 1.164 109.773 108.800 -0.319 0.000 2.598 485 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.215 485 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.215 485 G C 0.987 175.853 174.900 -0.056 0.000 1.131 485 G CA 0.594 45.666 45.100 -0.047 0.000 0.785 485 G HN 0.733 nan 8.290 nan 0.000 0.539 486 S N 1.966 117.598 115.700 -0.113 0.000 2.335 486 S HA -0.139 4.331 4.470 -0.001 0.000 0.216 486 S C 1.732 176.307 174.600 -0.041 0.000 1.032 486 S CA 1.544 59.703 58.200 -0.067 0.000 1.000 486 S CB -0.362 62.782 63.200 -0.092 0.000 0.928 486 S HN 0.459 nan 8.310 nan 0.000 0.434 487 D N 0.228 120.594 120.400 -0.058 0.000 2.369 487 D HA 0.173 4.812 4.640 -0.001 0.000 0.211 487 D C 0.238 176.496 176.300 -0.069 0.000 1.077 487 D CA -0.048 53.956 54.000 0.006 0.000 0.842 487 D CB -0.465 40.442 40.800 0.178 0.000 0.947 487 D HN 0.506 nan 8.370 nan 0.000 0.509 488 K N -0.391 119.888 120.400 -0.201 0.000 3.281 488 K HA -0.203 4.117 4.320 -0.001 0.000 0.295 488 K C -0.063 176.469 176.600 -0.114 0.000 1.233 488 K CA 0.520 56.693 56.287 -0.190 0.000 0.866 488 K CB -1.239 31.338 32.500 0.129 0.000 1.265 488 K HN 0.291 nan 8.250 nan 0.000 0.482 489 R N 0.422 120.797 120.500 -0.207 0.000 2.649 489 R HA 0.482 4.821 4.340 -0.001 0.000 0.270 489 R C 1.012 177.259 176.300 -0.090 0.000 1.105 489 R CA 0.343 56.377 56.100 -0.110 0.000 1.193 489 R CB 0.641 30.847 30.300 -0.156 0.000 1.120 489 R HN 0.320 nan 8.270 nan 0.000 0.561 490 G N -0.788 108.055 108.800 0.072 0.000 2.796 490 G HA2 0.207 4.166 3.960 -0.001 0.000 0.571 490 G HA3 0.207 4.166 3.960 -0.001 0.000 0.571 490 G C -0.039 175.060 174.900 0.333 0.000 1.370 490 G CA -0.433 44.803 45.100 0.226 0.000 0.856 490 G HN 1.121 nan 8.290 nan 0.000 0.538 491 G N -2.543 106.408 108.800 0.251 0.000 2.462 491 G HA2 0.510 4.470 3.960 -0.001 0.000 0.685 491 G HA3 0.510 4.470 3.960 -0.001 0.000 0.685 491 G C 0.976 175.897 174.900 0.035 0.000 1.295 491 G CA 0.968 46.146 45.100 0.130 0.000 0.941 491 G HN 2.417 nan 8.290 nan 0.000 0.554 492 A N -0.309 122.472 122.820 -0.065 0.000 2.015 492 A HA 0.190 4.509 4.320 -0.001 0.000 0.219 492 A C 1.347 178.909 177.584 -0.037 0.000 1.163 492 A CA 1.891 53.881 52.037 -0.079 0.000 0.646 492 A CB -0.403 18.514 19.000 -0.140 0.000 0.806 492 A HN 1.219 nan 8.150 nan 0.000 0.448 493 N N -0.330 118.357 118.700 -0.022 0.000 2.483 493 N HA 0.346 5.086 4.740 -0.001 0.000 0.264 493 N C 0.998 176.533 175.510 0.042 0.000 1.197 493 N CA 1.481 54.533 53.050 0.004 0.000 0.927 493 N CB 0.656 39.145 38.487 0.004 0.000 1.065 493 N HN 0.569 nan 8.380 nan 0.000 0.461 494 G N 1.686 110.510 108.800 0.039 0.000 2.278 494 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.210 494 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.210 494 G C 0.694 175.625 174.900 0.052 0.000 1.000 494 G CA 0.182 45.306 45.100 0.040 0.000 0.635 494 G HN 1.449 nan 8.290 nan 0.000 0.495 495 G N 0.165 109.014 108.800 0.082 0.000 2.341 495 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.292 495 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.292 495 G C 0.924 175.907 174.900 0.139 0.000 1.021 495 G CA 1.431 46.654 45.100 0.206 0.000 0.905 495 G HN 0.922 nan 8.290 nan 0.000 0.508 496 R N -0.954 119.540 120.500 -0.009 0.000 2.280 496 R HA 0.111 4.451 4.340 -0.001 0.000 0.207 496 R C 2.501 178.696 176.300 -0.175 0.000 1.043 496 R CA 0.770 56.772 56.100 -0.163 0.000 1.006 496 R CB -0.141 29.958 30.300 -0.336 0.000 0.885 496 R HN 0.521 nan 8.270 nan 0.000 0.467 497 I N 2.072 122.613 120.570 -0.049 0.000 2.423 497 I HA -0.288 3.882 4.170 -0.001 0.000 0.254 497 I C 2.012 178.104 176.117 -0.042 0.000 1.151 497 I CA 1.626 62.900 61.300 -0.044 0.000 1.421 497 I CB -0.033 37.999 38.000 0.052 0.000 1.079 497 I HN 0.078 nan 8.210 nan 0.000 0.431 498 R N -0.668 119.826 120.500 -0.010 0.000 2.334 498 R HA 0.250 4.590 4.340 -0.001 0.000 0.216 498 R C 0.263 176.464 176.300 -0.165 0.000 0.905 498 R CA 0.029 56.068 56.100 -0.102 0.000 1.064 498 R CB -0.389 29.747 30.300 -0.274 0.000 1.046 498 R HN 0.247 nan 8.270 nan 0.000 0.508 499 L N 1.234 122.343 121.223 -0.191 0.000 2.365 499 L HA 0.335 4.675 4.340 -0.001 0.000 0.267 499 L C 0.172 176.889 176.870 -0.256 0.000 1.033 499 L CA -1.433 53.279 54.840 -0.213 0.000 0.802 499 L CB 1.214 43.131 42.059 -0.237 0.000 1.267 499 L HN 0.071 nan 8.230 nan 0.000 0.457 500 Q N 2.025 121.696 119.800 -0.215 0.000 2.327 500 Q HA 0.186 4.526 4.340 -0.001 0.000 0.254 500 Q C -1.820 174.016 176.000 -0.273 0.000 0.952 500 Q CA -1.574 54.102 55.803 -0.213 0.000 0.884 500 Q CB 1.330 30.004 28.738 -0.106 0.000 1.224 500 Q HN 0.350 nan 8.270 nan 0.000 0.422 501 P HA -0.006 nan 4.420 nan 0.000 0.245 501 P C 0.570 177.378 177.300 -0.820 0.000 1.199 501 P CA 0.590 63.492 63.100 -0.329 0.000 0.807 501 P CB 0.560 32.256 31.700 -0.007 0.000 1.002 502 Q N 0.007 119.104 119.800 -1.172 0.000 2.268 502 Q HA -0.120 4.219 4.340 -0.001 0.000 0.210 502 Q C 2.101 177.762 176.000 -0.566 0.000 0.988 502 Q CA 1.154 56.143 55.803 -1.357 0.000 0.883 502 Q CB -0.788 27.390 28.738 -0.934 0.000 0.911 502 Q HN 0.112 nan 8.270 nan 0.000 0.430 503 V N -0.163 119.538 119.914 -0.356 0.000 2.809 503 V HA -0.058 4.061 4.120 -0.001 0.000 0.256 503 V C 1.528 177.582 176.094 -0.067 0.000 1.080 503 V CA 1.920 64.128 62.300 -0.153 0.000 1.102 503 V CB -0.020 31.729 31.823 -0.123 0.000 0.705 503 V HN 0.439 nan 8.190 nan 0.000 0.475 504 G N -2.067 106.689 108.800 -0.073 0.000 3.192 504 G HA2 0.059 4.018 3.960 -0.001 0.000 0.239 504 G HA3 0.059 4.018 3.960 -0.001 0.000 0.239 504 G C -0.011 175.017 174.900 0.214 0.000 1.084 504 G CA -0.449 44.685 45.100 0.057 0.000 0.784 504 G HN 0.383 nan 8.290 nan 0.000 0.540 505 W N 1.370 122.690 121.300 0.034 0.000 2.223 505 W HA 0.296 4.955 4.660 -0.001 0.000 0.334 505 W C 1.168 177.702 176.519 0.026 0.000 1.334 505 W CA -0.846 56.515 57.345 0.027 0.000 1.246 505 W CB 1.005 30.471 29.460 0.011 0.000 1.184 505 W HN 0.159 nan 8.180 nan 0.000 0.563 506 E N 2.047 122.379 120.200 0.220 0.000 2.051 506 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 506 E C 1.966 178.638 176.600 0.120 0.000 0.991 506 E CA 1.413 57.918 56.400 0.175 0.000 0.799 506 E CB -0.473 29.337 29.700 0.183 0.000 0.748 506 E HN 0.254 nan 8.360 nan 0.000 0.449 507 V N 1.180 120.948 119.914 -0.244 0.000 2.392 507 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 507 V C 1.353 177.492 176.094 0.076 0.000 1.059 507 V CA 2.208 64.237 62.300 -0.452 0.000 1.051 507 V CB -0.501 30.860 31.823 -0.770 0.000 0.658 507 V HN 0.325 nan 8.190 nan 0.000 0.455 508 N N 0.029 118.827 118.700 0.164 0.000 2.494 508 N HA -0.047 4.692 4.740 -0.001 0.000 0.182 508 N C 0.448 176.053 175.510 0.159 0.000 1.076 508 N CA 1.014 54.177 53.050 0.188 0.000 0.908 508 N CB -0.419 38.184 38.487 0.195 0.000 0.967 508 N HN 0.685 nan 8.380 nan 0.000 0.449 509 D N -0.629 119.879 120.400 0.179 0.000 3.620 509 D HA -0.103 4.536 4.640 -0.001 0.000 0.237 509 D C -1.831 174.523 176.300 0.090 0.000 1.111 509 D CA -0.100 53.979 54.000 0.132 0.000 1.070 509 D CB 0.233 41.055 40.800 0.037 0.000 0.891 509 D HN 0.165 nan 8.370 nan 0.000 0.412 510 P HA -0.060 nan 4.420 nan 0.000 0.215 510 P C 0.862 178.193 177.300 0.052 0.000 1.157 510 P CA 0.829 63.973 63.100 0.074 0.000 0.859 510 P CB 0.189 31.937 31.700 0.079 0.000 0.786 511 D N -0.545 119.886 120.400 0.052 0.000 2.392 511 D HA 0.007 4.646 4.640 -0.001 0.000 0.228 511 D C 1.504 177.819 176.300 0.025 0.000 1.003 511 D CA 0.703 54.725 54.000 0.037 0.000 0.917 511 D CB -0.728 40.096 40.800 0.040 0.000 0.890 511 D HN 0.183 nan 8.370 nan 0.000 0.532 512 G N 0.257 109.071 108.800 0.024 0.000 2.546 512 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.239 512 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.239 512 G C 0.636 175.550 174.900 0.023 0.000 1.476 512 G CA -0.318 44.789 45.100 0.012 0.000 1.064 512 G HN -0.100 nan 8.290 nan 0.000 0.561 513 D N -0.694 119.721 120.400 0.025 0.000 2.371 513 D HA -0.060 4.580 4.640 -0.001 0.000 0.221 513 D C 2.383 178.709 176.300 0.044 0.000 0.986 513 D CA -0.063 53.956 54.000 0.031 0.000 0.899 513 D CB 0.165 40.983 40.800 0.031 0.000 0.902 513 D HN 0.124 nan 8.370 nan 0.000 0.530 514 L N 1.387 122.640 121.223 0.051 0.000 2.021 514 L HA -0.228 4.111 4.340 -0.001 0.000 0.215 514 L C 2.134 179.041 176.870 0.061 0.000 1.074 514 L CA 1.812 56.690 54.840 0.063 0.000 0.760 514 L CB -0.147 41.950 42.059 0.064 0.000 0.889 514 L HN -0.104 nan 8.230 nan 0.000 0.433 515 R N -0.766 119.760 120.500 0.042 0.000 2.115 515 R HA -0.157 4.182 4.340 -0.001 0.000 0.230 515 R C 2.326 178.647 176.300 0.036 0.000 1.111 515 R CA 1.217 57.336 56.100 0.031 0.000 0.976 515 R CB -0.387 29.922 30.300 0.015 0.000 0.870 515 R HN 0.424 nan 8.270 nan 0.000 0.445 516 K N 1.084 121.506 120.400 0.037 0.000 2.025 516 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 516 K C 1.980 178.611 176.600 0.051 0.000 1.049 516 K CA 1.229 57.538 56.287 0.037 0.000 0.933 516 K CB 0.083 32.601 32.500 0.031 0.000 0.714 516 K HN -0.014 nan 8.250 nan 0.000 0.438 517 V N 1.775 121.727 119.914 0.062 0.000 2.343 517 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 517 V C 2.336 178.505 176.094 0.125 0.000 1.051 517 V CA 1.684 64.031 62.300 0.079 0.000 1.036 517 V CB -0.345 31.524 31.823 0.078 0.000 0.654 517 V HN 0.298 nan 8.190 nan 0.000 0.451 518 I N -0.383 120.278 120.570 0.150 0.000 2.142 518 I HA -0.241 3.928 4.170 -0.001 0.000 0.240 518 I C 2.785 179.002 176.117 0.166 0.000 1.078 518 I CA 1.799 63.243 61.300 0.240 0.000 1.343 518 I CB -0.474 37.605 38.000 0.132 0.000 1.046 518 I HN 0.197 nan 8.210 nan 0.000 0.405 519 R N 0.554 121.097 120.500 0.072 0.000 2.091 519 R HA -0.178 4.162 4.340 -0.001 0.000 0.238 519 R C 2.217 178.555 176.300 0.064 0.000 1.136 519 R CA 2.198 58.322 56.100 0.040 0.000 0.959 519 R CB -0.373 29.939 30.300 0.020 0.000 0.856 519 R HN 0.301 nan 8.270 nan 0.000 0.437 520 T N 1.626 116.224 114.554 0.073 0.000 2.708 520 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 520 T C 1.850 176.602 174.700 0.087 0.000 1.037 520 T CA 1.387 63.527 62.100 0.065 0.000 1.146 520 T CB -0.124 68.775 68.868 0.051 0.000 0.865 520 T HN 0.193 nan 8.240 nan 0.000 0.435 521 L N 0.544 121.847 121.223 0.134 0.000 2.093 521 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 521 L C 2.694 179.696 176.870 0.219 0.000 1.085 521 L CA 1.308 56.238 54.840 0.150 0.000 0.755 521 L CB -0.533 41.605 42.059 0.131 0.000 0.904 521 L HN 0.316 nan 8.230 nan 0.000 0.435 522 E N 0.116 120.466 120.200 0.250 0.000 2.072 522 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 522 E C 2.074 178.734 176.600 0.101 0.000 0.985 522 E CA 1.164 57.665 56.400 0.168 0.000 0.801 522 E CB -0.014 29.705 29.700 0.031 0.000 0.750 522 E HN 0.497 nan 8.360 nan 0.000 0.452 523 E N 0.708 120.953 120.200 0.076 0.000 2.058 523 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 523 E C 2.109 178.749 176.600 0.068 0.000 0.997 523 E CA 1.033 57.468 56.400 0.057 0.000 0.801 523 E CB -0.133 29.593 29.700 0.044 0.000 0.746 523 E HN 0.253 nan 8.360 nan 0.000 0.450 524 I N 1.029 121.643 120.570 0.073 0.000 2.208 524 I HA -0.324 3.845 4.170 -0.001 0.000 0.245 524 I C 2.797 178.981 176.117 0.111 0.000 1.097 524 I CA 1.176 62.523 61.300 0.077 0.000 1.363 524 I CB -0.250 37.777 38.000 0.045 0.000 1.051 524 I HN 0.201 nan 8.210 nan 0.000 0.413 525 Q N 0.742 120.610 119.800 0.113 0.000 2.061 525 Q HA -0.300 4.039 4.340 -0.001 0.000 0.204 525 Q C 2.166 178.253 176.000 0.145 0.000 0.984 525 Q CA 2.067 57.953 55.803 0.137 0.000 0.846 525 Q CB -0.089 28.744 28.738 0.158 0.000 0.902 525 Q HN 0.514 nan 8.270 nan 0.000 0.421 526 E N -0.584 119.678 120.200 0.104 0.000 2.077 526 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 526 E C 2.068 178.709 176.600 0.068 0.000 0.989 526 E CA 1.324 57.767 56.400 0.072 0.000 0.800 526 E CB 0.052 29.780 29.700 0.048 0.000 0.746 526 E HN 0.214 nan 8.360 nan 0.000 0.452 527 S N 0.022 115.769 115.700 0.079 0.000 2.359 527 S HA -0.167 4.303 4.470 -0.001 0.000 0.224 527 S C 1.528 176.173 174.600 0.076 0.000 1.035 527 S CA 1.278 59.518 58.200 0.066 0.000 1.018 527 S CB -0.429 62.815 63.200 0.072 0.000 0.876 527 S HN 0.384 nan 8.310 nan 0.000 0.448 528 F N 3.033 122.980 119.950 -0.004 0.000 2.113 528 F HA -0.085 4.441 4.527 -0.001 0.000 0.297 528 F C 1.955 177.745 175.800 -0.016 0.000 1.103 528 F CA 1.297 59.291 58.000 -0.009 0.000 1.248 528 F CB -0.400 38.596 39.000 -0.007 0.000 0.999 528 F HN 0.117 nan 8.300 nan 0.000 0.475 529 N N 0.072 118.846 118.700 0.123 0.000 2.309 529 N HA -0.128 4.611 4.740 -0.001 0.000 0.182 529 N C 1.935 177.386 175.510 -0.099 0.000 1.018 529 N CA 1.347 54.406 53.050 0.015 0.000 0.876 529 N CB -0.437 38.102 38.487 0.086 0.000 0.972 529 N HN 0.270 nan 8.380 nan 0.000 0.434 530 S N 0.447 116.099 115.700 -0.078 0.000 2.357 530 S HA 0.044 4.513 4.470 -0.001 0.000 0.221 530 S C 1.939 176.458 174.600 -0.136 0.000 1.031 530 S CA 0.969 59.117 58.200 -0.087 0.000 0.982 530 S CB -0.160 63.011 63.200 -0.048 0.000 0.853 530 S HN 0.474 nan 8.310 nan 0.000 0.458 531 A N 1.237 123.951 122.820 -0.177 0.000 2.169 531 A HA 0.595 4.915 4.320 -0.001 0.000 0.212 531 A C 1.115 178.522 177.584 -0.294 0.000 1.153 531 A CA 0.359 52.280 52.037 -0.193 0.000 0.756 531 A CB -0.596 18.308 19.000 -0.160 0.000 0.813 531 A HN 0.472 nan 8.150 nan 0.000 0.471 532 A N 1.584 124.132 122.820 -0.453 0.000 2.531 532 A HA 0.461 4.781 4.320 -0.001 0.000 0.236 532 A C -1.773 175.631 177.584 -0.300 0.000 1.062 532 A CA -0.644 51.037 52.037 -0.593 0.000 0.760 532 A CB -0.301 18.278 19.000 -0.701 0.000 0.995 532 A HN 0.373 nan 8.150 nan 0.000 0.501 533 P HA 0.453 nan 4.420 nan 0.000 0.278 533 P C 0.911 178.165 177.300 -0.077 0.000 1.258 533 P CA 0.827 63.857 63.100 -0.117 0.000 0.811 533 P CB 0.622 32.278 31.700 -0.074 0.000 1.063 534 G N 1.728 110.499 108.800 -0.047 0.000 2.602 534 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.317 534 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.317 534 G C 0.510 175.392 174.900 -0.030 0.000 1.327 534 G CA 0.540 45.626 45.100 -0.023 0.000 0.971 534 G HN 0.801 nan 8.290 nan 0.000 0.540 535 N N 0.165 118.867 118.700 0.003 0.000 2.321 535 N HA 0.253 4.992 4.740 -0.001 0.000 0.242 535 N C 0.293 175.820 175.510 0.029 0.000 1.141 535 N CA -0.307 52.750 53.050 0.013 0.000 0.864 535 N CB -0.107 38.431 38.487 0.085 0.000 1.100 535 N HN 0.459 nan 8.380 nan 0.000 0.510 536 I N 1.781 122.366 120.570 0.026 0.000 2.416 536 I HA 0.150 4.319 4.170 -0.001 0.000 0.288 536 I C -0.009 176.170 176.117 0.103 0.000 1.051 536 I CA 0.098 61.460 61.300 0.103 0.000 1.375 536 I CB 0.775 38.870 38.000 0.158 0.000 1.407 536 I HN -0.144 nan 8.210 nan 0.000 0.516 537 K N 5.549 126.046 120.400 0.162 0.000 2.469 537 K HA 0.593 4.913 4.320 -0.001 0.000 0.254 537 K C -1.384 175.351 176.600 0.225 0.000 0.939 537 K CA -0.779 55.617 56.287 0.180 0.000 0.812 537 K CB 3.073 35.564 32.500 -0.015 0.000 1.301 537 K HN 0.273 nan 8.250 nan 0.000 0.433 538 V N 1.551 121.599 119.914 0.223 0.000 2.581 538 V HA 0.363 4.482 4.120 -0.001 0.000 0.303 538 V C -0.189 175.964 176.094 0.098 0.000 1.041 538 V CA -0.399 61.947 62.300 0.076 0.000 0.907 538 V CB 1.976 33.693 31.823 -0.176 0.000 0.994 538 V HN 0.966 nan 8.190 nan 0.000 0.442 539 S N 4.899 120.650 115.700 0.085 0.000 2.610 539 S HA 0.286 4.756 4.470 -0.001 0.000 0.273 539 S C 0.771 175.442 174.600 0.120 0.000 1.274 539 S CA -0.197 58.072 58.200 0.114 0.000 1.023 539 S CB 0.996 64.256 63.200 0.101 0.000 0.962 539 S HN 0.786 nan 8.310 nan 0.000 0.523 540 F N 2.382 122.341 119.950 0.014 0.000 2.126 540 F HA -0.061 4.466 4.527 -0.001 0.000 0.299 540 F C 2.372 178.176 175.800 0.007 0.000 1.096 540 F CA 1.804 59.806 58.000 0.003 0.000 1.255 540 F CB -0.993 38.005 39.000 -0.003 0.000 0.997 540 F HN 0.776 nan 8.300 nan 0.000 0.479 541 A N 0.149 122.984 122.820 0.025 0.000 1.892 541 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 541 A C 2.033 179.556 177.584 -0.102 0.000 1.188 541 A CA 2.246 54.243 52.037 -0.066 0.000 0.631 541 A CB -1.162 17.864 19.000 0.043 0.000 0.822 541 A HN 0.480 nan 8.150 nan 0.000 0.447 542 D N -0.686 119.709 120.400 -0.009 0.000 2.144 542 D HA -0.072 4.568 4.640 -0.001 0.000 0.200 542 D C 1.809 178.115 176.300 0.010 0.000 0.978 542 D CA 0.776 54.858 54.000 0.135 0.000 0.833 542 D CB -0.240 40.712 40.800 0.254 0.000 0.961 542 D HN 0.247 nan 8.370 nan 0.000 0.470 543 L N 0.446 121.576 121.223 -0.156 0.000 2.046 543 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 543 L C 2.515 179.226 176.870 -0.265 0.000 1.077 543 L CA 0.913 55.609 54.840 -0.240 0.000 0.747 543 L CB -0.906 41.028 42.059 -0.209 0.000 0.896 543 L HN -0.069 nan 8.230 nan 0.000 0.432 544 V N -1.062 118.610 119.914 -0.404 0.000 2.231 544 V HA -0.350 3.770 4.120 -0.001 0.000 0.250 544 V C 2.495 178.525 176.094 -0.106 0.000 1.058 544 V CA 1.921 64.032 62.300 -0.315 0.000 1.022 544 V CB -0.639 30.927 31.823 -0.429 0.000 0.640 544 V HN 0.250 nan 8.190 nan 0.000 0.445 545 V N -0.660 119.225 119.914 -0.048 0.000 2.343 545 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 545 V C 2.335 178.502 176.094 0.122 0.000 1.051 545 V CA 2.102 64.456 62.300 0.090 0.000 1.036 545 V CB -0.583 31.336 31.823 0.160 0.000 0.654 545 V HN 0.501 nan 8.190 nan 0.000 0.451 546 L N 1.254 122.425 121.223 -0.087 0.000 2.083 546 L HA -0.013 4.326 4.340 -0.001 0.000 0.209 546 L C 2.362 179.135 176.870 -0.161 0.000 1.083 546 L CA 2.283 56.906 54.840 -0.363 0.000 0.752 546 L CB -1.306 40.278 42.059 -0.791 0.000 0.899 546 L HN 0.285 nan 8.230 nan 0.000 0.433 547 G N -1.066 107.671 108.800 -0.106 0.000 2.442 547 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.219 547 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.219 547 G C 1.526 176.441 174.900 0.026 0.000 1.141 547 G CA 0.673 45.744 45.100 -0.048 0.000 0.763 547 G HN 0.587 nan 8.290 nan 0.000 0.554 548 G N 0.294 109.179 108.800 0.142 0.000 2.433 548 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.216 548 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.216 548 G C 1.892 176.867 174.900 0.125 0.000 1.186 548 G CA 1.427 46.705 45.100 0.296 0.000 0.779 548 G HN 0.468 nan 8.290 nan 0.000 0.543 549 C N 1.082 120.504 119.300 0.202 0.000 2.429 549 C HA 0.172 4.631 4.460 -0.001 0.000 0.277 549 C C 3.545 178.515 174.990 -0.033 0.000 1.262 549 C CA 0.720 59.795 59.018 0.095 0.000 1.733 549 C CB -1.089 26.744 27.740 0.156 0.000 2.010 549 C HN 0.567 nan 8.230 nan 0.000 0.483 550 A N 0.664 123.451 122.820 -0.055 0.000 1.933 550 A HA 0.054 4.374 4.320 -0.001 0.000 0.218 550 A C 2.353 179.896 177.584 -0.068 0.000 1.175 550 A CA 2.148 54.143 52.037 -0.070 0.000 0.628 550 A CB -0.798 18.153 19.000 -0.082 0.000 0.814 550 A HN 0.594 nan 8.150 nan 0.000 0.444 551 A N -0.275 122.501 122.820 -0.073 0.000 1.929 551 A HA 0.046 4.366 4.320 -0.001 0.000 0.216 551 A C 2.057 179.562 177.584 -0.132 0.000 1.176 551 A CA 1.254 53.239 52.037 -0.087 0.000 0.628 551 A CB -0.512 18.445 19.000 -0.072 0.000 0.816 551 A HN 0.474 nan 8.150 nan 0.000 0.444 552 I N -0.323 120.128 120.570 -0.199 0.000 2.361 552 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 552 I C 2.384 178.421 176.117 -0.135 0.000 1.133 552 I CA 1.327 62.489 61.300 -0.231 0.000 1.413 552 I CB -0.349 37.430 38.000 -0.368 0.000 1.073 552 I HN 0.445 nan 8.210 nan 0.000 0.424 553 E N 0.882 121.026 120.200 -0.094 0.000 2.046 553 E HA -0.263 4.086 4.350 -0.001 0.000 0.190 553 E C 2.071 178.646 176.600 -0.043 0.000 0.982 553 E CA 1.111 57.479 56.400 -0.053 0.000 0.800 553 E CB -0.036 29.641 29.700 -0.038 0.000 0.756 553 E HN 0.252 nan 8.360 nan 0.000 0.449 554 K N 1.594 121.964 120.400 -0.050 0.000 2.063 554 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 554 K C 1.870 178.447 176.600 -0.037 0.000 1.048 554 K CA 1.704 57.967 56.287 -0.039 0.000 0.928 554 K CB -0.379 32.096 32.500 -0.041 0.000 0.713 554 K HN 0.087 nan 8.250 nan 0.000 0.442 555 A N 0.744 123.529 122.820 -0.059 0.000 1.873 555 A HA 0.044 4.364 4.320 -0.001 0.000 0.215 555 A C 2.473 180.041 177.584 -0.028 0.000 1.186 555 A CA 1.906 53.907 52.037 -0.059 0.000 0.616 555 A CB -1.249 17.686 19.000 -0.110 0.000 0.823 555 A HN 0.493 nan 8.150 nan 0.000 0.442 556 A N 0.132 122.934 122.820 -0.030 0.000 1.917 556 A HA -0.264 4.055 4.320 -0.001 0.000 0.219 556 A C 2.145 179.783 177.584 0.090 0.000 1.182 556 A CA 2.353 54.413 52.037 0.038 0.000 0.633 556 A CB -0.533 18.474 19.000 0.011 0.000 0.819 556 A HN 0.612 nan 8.150 nan 0.000 0.448 557 K N -0.406 120.014 120.400 0.035 0.000 2.057 557 K HA -0.022 4.297 4.320 -0.001 0.000 0.206 557 K C 2.071 178.674 176.600 0.004 0.000 1.050 557 K CA 1.235 57.532 56.287 0.016 0.000 0.935 557 K CB -0.369 32.132 32.500 0.002 0.000 0.715 557 K HN 0.339 nan 8.250 nan 0.000 0.439 558 A N 0.786 123.609 122.820 0.005 0.000 2.019 558 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 558 A C 2.103 179.694 177.584 0.011 0.000 1.164 558 A CA 1.720 53.758 52.037 0.002 0.000 0.644 558 A CB -0.559 18.439 19.000 -0.002 0.000 0.805 558 A HN 0.474 nan 8.150 nan 0.000 0.449 559 A N -1.677 121.168 122.820 0.041 0.000 2.275 559 A HA 0.447 4.767 4.320 -0.001 0.000 0.212 559 A C 1.497 179.059 177.584 -0.037 0.000 1.201 559 A CA 0.950 53.031 52.037 0.073 0.000 0.843 559 A CB -0.904 18.206 19.000 0.184 0.000 0.873 559 A HN 1.895 nan 8.150 nan 0.000 0.492 560 G N -0.267 108.475 108.800 -0.097 0.000 2.248 560 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.263 560 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.263 560 G C -0.395 174.208 174.900 -0.495 0.000 1.082 560 G CA 0.351 45.306 45.100 -0.241 0.000 0.863 560 G HN 0.821 nan 8.290 nan 0.000 0.495 561 H N -0.690 118.383 119.070 0.005 0.000 2.667 561 H HA 0.511 5.067 4.556 -0.001 0.000 0.353 561 H C -0.098 175.227 175.328 -0.004 0.000 1.072 561 H CA -0.739 55.311 56.048 0.004 0.000 1.214 561 H CB 1.244 31.010 29.762 0.007 0.000 1.600 561 H HN 0.268 nan 8.280 nan 0.000 0.527 562 N N 3.282 122.043 118.700 0.102 0.000 2.699 562 N HA 0.343 5.083 4.740 -0.001 0.000 0.232 562 N C -1.088 174.455 175.510 0.055 0.000 1.027 562 N CA -0.163 52.920 53.050 0.056 0.000 0.920 562 N CB 1.307 39.812 38.487 0.029 0.000 1.148 562 N HN 0.367 nan 8.380 nan 0.000 0.509 563 I N 0.989 121.587 120.570 0.047 0.000 2.785 563 I HA 0.415 4.584 4.170 -0.001 0.000 0.302 563 I C -0.270 175.857 176.117 0.016 0.000 1.069 563 I CA -0.632 60.685 61.300 0.029 0.000 1.045 563 I CB 1.984 39.996 38.000 0.019 0.000 1.236 563 I HN 0.286 nan 8.210 nan 0.000 0.429 564 T N 3.188 117.752 114.554 0.017 0.000 2.859 564 T HA 0.560 4.909 4.350 -0.001 0.000 0.281 564 T C -0.545 174.171 174.700 0.026 0.000 1.005 564 T CA -0.663 61.447 62.100 0.017 0.000 1.025 564 T CB 1.528 70.408 68.868 0.020 0.000 0.977 564 T HN 0.222 nan 8.240 nan 0.000 0.458 565 V N 5.143 125.076 119.914 0.032 0.000 2.385 565 V HA 0.314 4.434 4.120 -0.001 0.000 0.269 565 V C -2.022 174.136 176.094 0.107 0.000 1.043 565 V CA -1.750 60.587 62.300 0.062 0.000 0.906 565 V CB 0.547 32.402 31.823 0.054 0.000 0.995 565 V HN 0.826 nan 8.190 nan 0.000 0.467 566 P HA 0.104 nan 4.420 nan 0.000 0.265 566 P C -0.943 176.462 177.300 0.176 0.000 1.193 566 P CA 0.231 63.392 63.100 0.102 0.000 0.765 566 P CB 0.169 31.897 31.700 0.046 0.000 0.823 567 F N 2.423 122.370 119.950 -0.005 0.000 2.540 567 F HA 0.501 5.027 4.527 -0.001 0.000 0.317 567 F C -0.671 175.106 175.800 -0.039 0.000 1.104 567 F CA -0.300 57.689 58.000 -0.019 0.000 0.913 567 F CB 1.738 40.727 39.000 -0.018 0.000 1.170 567 F HN 0.053 nan 8.300 nan 0.000 0.450 568 T N 7.579 121.607 114.554 -0.878 0.000 2.864 568 T HA 0.385 4.735 4.350 -0.001 0.000 0.310 568 T C -2.658 171.471 174.700 -0.952 0.000 1.040 568 T CA -1.145 60.553 62.100 -0.670 0.000 0.977 568 T CB 1.248 69.884 68.868 -0.387 0.000 0.976 568 T HN 0.335 nan 8.240 nan 0.000 0.459 569 P HA 0.520 nan 4.420 nan 0.000 0.276 569 P C 0.722 177.898 177.300 -0.206 0.000 1.261 569 P CA -0.076 62.806 63.100 -0.365 0.000 0.800 569 P CB 0.818 32.515 31.700 -0.006 0.000 1.066 570 G N -0.496 108.243 108.800 -0.102 0.000 2.234 570 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.153 570 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.153 570 G C 0.103 174.973 174.900 -0.050 0.000 1.013 570 G CA -0.610 44.453 45.100 -0.063 0.000 0.712 570 G HN 0.507 nan 8.290 nan 0.000 0.491 571 R N 1.339 121.810 120.500 -0.050 0.000 2.543 571 R HA 0.532 4.872 4.340 -0.001 0.000 0.277 571 R C 0.754 177.063 176.300 0.016 0.000 1.074 571 R CA 0.921 57.007 56.100 -0.023 0.000 1.076 571 R CB 0.603 30.887 30.300 -0.026 0.000 0.993 571 R HN 0.351 nan 8.270 nan 0.000 0.459 572 T N -1.637 112.931 114.554 0.023 0.000 2.942 572 T HA 0.338 4.687 4.350 -0.001 0.000 0.289 572 T C -0.621 174.111 174.700 0.053 0.000 1.044 572 T CA -1.205 60.918 62.100 0.039 0.000 1.023 572 T CB 1.717 70.600 68.868 0.024 0.000 1.123 572 T HN 0.276 nan 8.240 nan 0.000 0.512 573 D N 1.218 121.657 120.400 0.065 0.000 2.232 573 D HA 0.552 5.191 4.640 -0.001 0.000 0.242 573 D C 0.013 176.330 176.300 0.027 0.000 1.093 573 D CA -0.193 53.848 54.000 0.068 0.000 0.845 573 D CB 1.562 42.415 40.800 0.088 0.000 1.124 573 D HN 0.859 nan 8.370 nan 0.000 0.467 574 A N 1.954 124.780 122.820 0.010 0.000 2.286 574 A HA 0.540 4.860 4.320 -0.001 0.000 0.286 574 A C 0.584 178.146 177.584 -0.037 0.000 1.097 574 A CA -0.551 51.478 52.037 -0.013 0.000 0.821 574 A CB 0.518 19.508 19.000 -0.016 0.000 1.076 574 A HN 0.526 nan 8.150 nan 0.000 0.490 575 S N 0.156 115.834 115.700 -0.037 0.000 2.652 575 S HA 0.281 4.751 4.470 -0.001 0.000 0.270 575 S C 0.837 175.400 174.600 -0.061 0.000 1.243 575 S CA -0.078 58.094 58.200 -0.047 0.000 0.999 575 S CB 1.133 64.314 63.200 -0.032 0.000 0.973 575 S HN 0.728 nan 8.310 nan 0.000 0.544 576 Q N 0.820 120.579 119.800 -0.068 0.000 2.152 576 Q HA -0.190 4.150 4.340 -0.001 0.000 0.206 576 Q C 1.465 177.442 176.000 -0.038 0.000 0.985 576 Q CA 2.259 58.020 55.803 -0.070 0.000 0.863 576 Q CB -0.651 28.049 28.738 -0.063 0.000 0.904 576 Q HN 0.887 nan 8.270 nan 0.000 0.422 577 E N -0.378 119.809 120.200 -0.022 0.000 2.268 577 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 577 E C 1.441 178.047 176.600 0.010 0.000 0.995 577 E CA 0.905 57.305 56.400 -0.001 0.000 0.836 577 E CB -0.012 29.688 29.700 -0.000 0.000 0.763 577 E HN 0.484 nan 8.360 nan 0.000 0.491 578 Q N -0.219 119.581 119.800 -0.000 0.000 2.360 578 Q HA 0.111 4.450 4.340 -0.001 0.000 0.202 578 Q C -0.331 175.696 176.000 0.045 0.000 0.915 578 Q CA 0.430 56.242 55.803 0.014 0.000 0.943 578 Q CB 0.752 29.490 28.738 -0.000 0.000 1.064 578 Q HN 0.018 nan 8.270 nan 0.000 0.511 579 T N 1.037 115.602 114.554 0.020 0.000 2.912 579 T HA 0.067 4.417 4.350 -0.001 0.000 0.326 579 T C -0.935 173.817 174.700 0.087 0.000 1.080 579 T CA -0.694 61.412 62.100 0.010 0.000 1.000 579 T CB 0.873 69.609 68.868 -0.219 0.000 1.008 579 T HN 0.013 nan 8.240 nan 0.000 0.473 580 D N 3.317 123.860 120.400 0.239 0.000 2.363 580 D HA 0.036 4.676 4.640 -0.001 0.000 0.263 580 D C 1.226 177.698 176.300 0.286 0.000 1.258 580 D CA -0.086 54.054 54.000 0.235 0.000 0.907 580 D CB 1.102 42.050 40.800 0.246 0.000 1.107 580 D HN 0.173 nan 8.370 nan 0.000 0.495 581 V N 4.315 124.331 119.914 0.171 0.000 2.407 581 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 581 V C 2.293 178.521 176.094 0.224 0.000 1.055 581 V CA 1.601 63.997 62.300 0.160 0.000 1.049 581 V CB -0.396 31.478 31.823 0.086 0.000 0.662 581 V HN 0.530 nan 8.190 nan 0.000 0.455 582 E N -0.052 120.264 120.200 0.193 0.000 2.106 582 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 582 E C 2.463 179.185 176.600 0.203 0.000 0.984 582 E CA 1.508 58.018 56.400 0.183 0.000 0.806 582 E CB -0.404 29.383 29.700 0.145 0.000 0.750 582 E HN 0.452 nan 8.360 nan 0.000 0.458 583 S N -1.336 114.493 115.700 0.214 0.000 2.402 583 S HA -0.060 4.409 4.470 -0.001 0.000 0.229 583 S C 1.453 176.133 174.600 0.133 0.000 1.021 583 S CA 0.610 58.907 58.200 0.160 0.000 0.974 583 S CB -0.343 62.941 63.200 0.140 0.000 0.800 583 S HN 0.318 nan 8.310 nan 0.000 0.484 584 F N 1.619 121.672 119.950 0.171 0.000 2.748 584 F HA 0.265 4.791 4.527 -0.001 0.000 0.299 584 F C 2.201 178.223 175.800 0.371 0.000 1.154 584 F CA 0.416 58.553 58.000 0.228 0.000 1.446 584 F CB -0.305 38.785 39.000 0.150 0.000 1.112 584 F HN 0.256 nan 8.300 nan 0.000 0.584 585 A N 0.047 123.121 122.820 0.423 0.000 1.933 585 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 585 A C 2.365 180.051 177.584 0.169 0.000 1.175 585 A CA 1.825 54.078 52.037 0.360 0.000 0.628 585 A CB -1.267 17.884 19.000 0.251 0.000 0.814 585 A HN 0.283 nan 8.150 nan 0.000 0.444 586 V N -1.835 118.146 119.914 0.112 0.000 2.594 586 V HA -0.123 3.996 4.120 -0.001 0.000 0.253 586 V C 1.966 178.005 176.094 -0.092 0.000 1.069 586 V CA 1.857 64.153 62.300 -0.008 0.000 1.082 586 V CB -0.866 30.956 31.823 -0.002 0.000 0.680 586 V HN 0.455 nan 8.190 nan 0.000 0.469 587 L N 0.495 121.733 121.223 0.024 0.000 2.552 587 L HA 0.154 4.494 4.340 -0.001 0.000 0.227 587 L C 1.435 178.156 176.870 -0.248 0.000 1.146 587 L CA 0.550 55.411 54.840 0.034 0.000 0.858 587 L CB -0.465 41.760 42.059 0.276 0.000 0.969 587 L HN 0.510 nan 8.230 nan 0.000 0.451 588 E N 2.311 122.080 120.200 -0.719 0.000 2.366 588 E HA 0.098 4.447 4.350 -0.001 0.000 0.266 588 E C -2.164 174.018 176.600 -0.697 0.000 1.015 588 E CA -1.907 53.574 56.400 -1.532 0.000 0.906 588 E CB 0.787 29.522 29.700 -1.608 0.000 0.979 588 E HN -0.036 nan 8.360 nan 0.000 0.443 589 P HA 0.022 nan 4.420 nan 0.000 0.271 589 P C -0.337 176.914 177.300 -0.082 0.000 1.226 589 P CA -0.192 62.788 63.100 -0.200 0.000 0.765 589 P CB 0.745 32.402 31.700 -0.071 0.000 0.835 590 K N 1.475 121.863 120.400 -0.019 0.000 2.426 590 K HA 0.339 4.658 4.320 -0.001 0.000 0.193 590 K C 0.621 177.283 176.600 0.102 0.000 1.028 590 K CA 0.272 56.599 56.287 0.067 0.000 1.047 590 K CB 0.250 32.753 32.500 0.005 0.000 0.821 590 K HN 0.486 nan 8.250 nan 0.000 0.513 591 A N 0.974 123.876 122.820 0.136 0.000 2.574 591 A HA 0.488 4.807 4.320 -0.001 0.000 0.297 591 A C -1.822 175.902 177.584 0.234 0.000 1.062 591 A CA -0.679 51.442 52.037 0.141 0.000 0.686 591 A CB 1.541 20.552 19.000 0.019 0.000 1.285 591 A HN 0.000 nan 8.150 nan 0.000 0.403 592 D N 1.432 122.012 120.400 0.300 0.000 2.328 592 D HA 0.379 5.018 4.640 -0.001 0.000 0.243 592 D C 1.067 177.512 176.300 0.240 0.000 1.324 592 D CA 0.432 54.627 54.000 0.325 0.000 0.966 592 D CB 1.035 42.071 40.800 0.393 0.000 1.324 592 D HN 0.662 nan 8.370 nan 0.000 0.549 593 G N 1.297 110.147 108.800 0.084 0.000 2.498 593 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.219 593 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.219 593 G C 1.084 175.867 174.900 -0.195 0.000 1.119 593 G CA 0.371 45.411 45.100 -0.100 0.000 0.766 593 G HN 0.470 nan 8.290 nan 0.000 0.552 594 F N -0.268 119.723 119.950 0.067 0.000 2.661 594 F HA 0.268 4.795 4.527 -0.001 0.000 0.298 594 F C 2.501 178.186 175.800 -0.192 0.000 1.137 594 F CA 0.517 58.432 58.000 -0.141 0.000 1.454 594 F CB 0.347 39.189 39.000 -0.263 0.000 1.103 594 F HN -0.008 nan 8.300 nan 0.000 0.577 595 R N -0.501 120.092 120.500 0.155 0.000 2.535 595 R HA 0.108 4.447 4.340 -0.001 0.000 0.323 595 R C 0.016 176.425 176.300 0.182 0.000 0.979 595 R CA -0.169 56.028 56.100 0.163 0.000 1.120 595 R CB 0.091 30.566 30.300 0.290 0.000 1.306 595 R HN -0.082 nan 8.270 nan 0.000 0.540 596 N N 1.044 119.807 118.700 0.106 0.000 2.727 596 N HA -0.279 4.460 4.740 -0.001 0.000 0.249 596 N C -1.462 174.133 175.510 0.141 0.000 1.048 596 N CA 0.839 53.941 53.050 0.087 0.000 0.714 596 N CB -1.050 37.474 38.487 0.061 0.000 0.959 596 N HN 0.338 nan 8.380 nan 0.000 0.544 597 Y N 0.232 120.528 120.300 -0.008 0.000 2.328 597 Y HA 0.572 5.121 4.550 -0.001 0.000 0.337 597 Y C -0.631 175.195 175.900 -0.123 0.000 1.008 597 Y CA -1.099 56.908 58.100 -0.156 0.000 1.129 597 Y CB 0.793 39.123 38.460 -0.217 0.000 1.185 597 Y HN 0.177 nan 8.280 nan 0.000 0.476 598 L N 7.015 127.746 121.223 -0.819 0.000 2.406 598 L HA 0.708 5.047 4.340 -0.001 0.000 0.270 598 L C 0.014 176.340 176.870 -0.907 0.000 0.982 598 L CA -0.136 54.292 54.840 -0.688 0.000 0.843 598 L CB 1.211 43.092 42.059 -0.297 0.000 1.225 598 L HN 0.803 nan 8.230 nan 0.000 0.412 599 G N 3.143 111.417 108.800 -0.876 0.000 2.535 599 G HA2 0.370 4.329 3.960 -0.001 0.000 0.282 599 G HA3 0.370 4.329 3.960 -0.001 0.000 0.282 599 G C -0.764 174.007 174.900 -0.215 0.000 1.350 599 G CA -0.682 44.147 45.100 -0.451 0.000 1.039 599 G HN 0.549 nan 8.290 nan 0.000 0.509 600 K N -0.933 119.405 120.400 -0.104 0.000 2.110 600 K HA 0.533 4.853 4.320 -0.001 0.000 0.263 600 K C 0.638 177.213 176.600 -0.042 0.000 0.975 600 K CA 0.387 56.635 56.287 -0.065 0.000 0.895 600 K CB 1.623 34.102 32.500 -0.036 0.000 1.060 600 K HN 0.933 nan 8.250 nan 0.000 0.448 601 G N 1.543 110.318 108.800 -0.042 0.000 2.163 601 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.213 601 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.213 601 G C -0.538 174.343 174.900 -0.032 0.000 0.991 601 G CA -0.555 44.527 45.100 -0.030 0.000 0.653 601 G HN 0.666 nan 8.290 nan 0.000 0.518 602 N N 1.873 120.547 118.700 -0.043 0.000 2.497 602 N HA 0.428 5.167 4.740 -0.001 0.000 0.268 602 N C -0.492 174.976 175.510 -0.070 0.000 1.171 602 N CA -0.740 52.284 53.050 -0.044 0.000 0.948 602 N CB 1.318 39.776 38.487 -0.048 0.000 1.069 602 N HN 0.098 nan 8.380 nan 0.000 0.460 603 P HA -0.107 nan 4.420 nan 0.000 0.219 603 P C -0.312 176.885 177.300 -0.173 0.000 1.146 603 P CA 1.278 64.292 63.100 -0.142 0.000 0.808 603 P CB 0.533 32.113 31.700 -0.200 0.000 0.779 604 L N -1.487 119.640 121.223 -0.161 0.000 2.309 604 L HA 0.504 4.843 4.340 -0.001 0.000 0.261 604 L C -2.559 174.242 176.870 -0.116 0.000 1.021 604 L CA -2.865 51.839 54.840 -0.227 0.000 0.823 604 L CB 1.829 43.705 42.059 -0.306 0.000 1.366 604 L HN -0.384 nan 8.230 nan 0.000 0.423 605 P HA 0.064 nan 4.420 nan 0.000 0.269 605 P C 0.200 177.580 177.300 0.135 0.000 1.215 605 P CA -0.074 63.056 63.100 0.049 0.000 0.780 605 P CB 0.726 32.495 31.700 0.116 0.000 0.898 606 A N 3.163 126.022 122.820 0.065 0.000 1.944 606 A HA -0.303 4.016 4.320 -0.001 0.000 0.222 606 A C 1.876 179.478 177.584 0.030 0.000 1.237 606 A CA 2.366 54.421 52.037 0.030 0.000 0.668 606 A CB -1.279 17.728 19.000 0.011 0.000 0.830 606 A HN 0.734 nan 8.150 nan 0.000 0.471 607 E N -1.343 118.872 120.200 0.025 0.000 2.268 607 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 607 E C 1.606 178.107 176.600 -0.164 0.000 0.995 607 E CA 1.422 57.750 56.400 -0.120 0.000 0.836 607 E CB -0.558 29.003 29.700 -0.231 0.000 0.763 607 E HN 0.764 nan 8.360 nan 0.000 0.491 608 Y N 0.292 120.542 120.300 -0.083 0.000 2.475 608 Y HA 0.098 4.648 4.550 -0.001 0.000 0.289 608 Y C 2.394 178.254 175.900 -0.066 0.000 1.121 608 Y CA 0.742 58.796 58.100 -0.076 0.000 1.257 608 Y CB 0.038 38.453 38.460 -0.075 0.000 1.026 608 Y HN -0.032 nan 8.280 nan 0.000 0.555 609 M N -1.128 118.529 119.600 0.095 0.000 2.388 609 M HA -0.010 4.469 4.480 -0.001 0.000 0.265 609 M C 2.047 178.363 176.300 0.028 0.000 1.088 609 M CA 0.809 56.135 55.300 0.044 0.000 1.134 609 M CB -0.900 31.715 32.600 0.025 0.000 1.384 609 M HN 0.374 nan 8.290 nan 0.000 0.447 610 L N 0.796 122.009 121.223 -0.017 0.000 2.027 610 L HA -0.094 4.245 4.340 -0.001 0.000 0.206 610 L C 2.087 178.945 176.870 -0.019 0.000 1.074 610 L CA 1.561 56.357 54.840 -0.072 0.000 0.745 610 L CB -0.723 41.237 42.059 -0.164 0.000 0.898 610 L HN 0.109 nan 8.230 nan 0.000 0.433 611 L N -0.127 121.075 121.223 -0.036 0.000 2.083 611 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 611 L C 2.175 179.074 176.870 0.049 0.000 1.083 611 L CA 2.017 56.857 54.840 -0.001 0.000 0.752 611 L CB -0.775 41.250 42.059 -0.056 0.000 0.899 611 L HN 0.455 nan 8.230 nan 0.000 0.433 612 D N -0.917 119.510 120.400 0.044 0.000 2.123 612 D HA -0.222 4.417 4.640 -0.001 0.000 0.200 612 D C 2.204 178.552 176.300 0.080 0.000 0.976 612 D CA 0.934 54.960 54.000 0.043 0.000 0.831 612 D CB 0.128 40.940 40.800 0.021 0.000 0.974 612 D HN -0.026 nan 8.370 nan 0.000 0.469 613 K N 0.427 120.904 120.400 0.128 0.000 2.057 613 K HA 0.017 4.336 4.320 -0.001 0.000 0.207 613 K C 1.847 178.639 176.600 0.320 0.000 1.049 613 K CA 1.590 58.009 56.287 0.220 0.000 0.931 613 K CB -0.719 31.964 32.500 0.305 0.000 0.714 613 K HN 0.119 nan 8.250 nan 0.000 0.440 614 A N 0.471 123.525 122.820 0.389 0.000 1.969 614 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 614 A C 2.050 179.765 177.584 0.218 0.000 1.169 614 A CA 1.947 54.232 52.037 0.413 0.000 0.635 614 A CB -0.912 18.351 19.000 0.439 0.000 0.810 614 A HN 0.606 nan 8.150 nan 0.000 0.445 615 N N -0.108 118.681 118.700 0.148 0.000 2.188 615 N HA -0.065 4.674 4.740 -0.001 0.000 0.184 615 N C 1.515 177.074 175.510 0.082 0.000 1.018 615 N CA 1.344 54.449 53.050 0.092 0.000 0.858 615 N CB -0.364 38.152 38.487 0.048 0.000 0.989 615 N HN 0.445 nan 8.380 nan 0.000 0.426 616 L N 0.015 121.284 121.223 0.076 0.000 2.141 616 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 616 L C 1.652 178.580 176.870 0.097 0.000 1.094 616 L CA 0.711 55.578 54.840 0.045 0.000 0.763 616 L CB -0.258 41.804 42.059 0.005 0.000 0.908 616 L HN 0.287 nan 8.230 nan 0.000 0.437 617 L N -0.304 120.994 121.223 0.124 0.000 2.599 617 L HA 0.014 4.354 4.340 -0.001 0.000 0.230 617 L C 0.961 177.901 176.870 0.116 0.000 1.141 617 L CA 0.530 55.444 54.840 0.123 0.000 0.877 617 L CB -0.764 41.298 42.059 0.005 0.000 1.009 617 L HN 0.507 nan 8.230 nan 0.000 0.447 618 T N -2.553 112.079 114.554 0.130 0.000 4.194 618 T HA -0.228 4.121 4.350 -0.001 0.000 0.339 618 T C -0.131 174.625 174.700 0.094 0.000 0.757 618 T CA 0.476 62.645 62.100 0.114 0.000 1.931 618 T CB -2.679 66.267 68.868 0.130 0.000 1.886 618 T HN 0.193 nan 8.240 nan 0.000 0.878 619 L N 1.540 122.831 121.223 0.113 0.000 2.343 619 L HA 0.672 5.011 4.340 -0.001 0.000 0.275 619 L C 1.293 178.247 176.870 0.140 0.000 1.056 619 L CA -0.660 54.253 54.840 0.122 0.000 0.804 619 L CB 1.704 43.862 42.059 0.164 0.000 1.203 619 L HN 0.587 nan 8.230 nan 0.000 0.440 620 S N 1.131 116.912 115.700 0.136 0.000 2.624 620 S HA 0.355 4.824 4.470 -0.001 0.000 0.263 620 S C 1.017 175.725 174.600 0.181 0.000 1.287 620 S CA -0.135 58.156 58.200 0.151 0.000 0.990 620 S CB 1.456 64.736 63.200 0.134 0.000 0.950 620 S HN 0.696 nan 8.310 nan 0.000 0.561 621 A N 0.961 123.891 122.820 0.183 0.000 1.898 621 A HA 0.121 4.440 4.320 -0.001 0.000 0.216 621 A C -0.384 177.344 177.584 0.240 0.000 1.181 621 A CA 1.246 53.403 52.037 0.201 0.000 0.620 621 A CB -2.128 16.974 19.000 0.171 0.000 0.819 621 A HN 0.712 nan 8.150 nan 0.000 0.442 622 P HA -0.163 nan 4.420 nan 0.000 0.215 622 P C 1.170 178.607 177.300 0.229 0.000 1.153 622 P CA 1.562 64.820 63.100 0.263 0.000 0.853 622 P CB -0.061 31.772 31.700 0.221 0.000 0.788 623 E N -1.077 119.233 120.200 0.184 0.000 2.072 623 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 623 E C 2.008 178.730 176.600 0.203 0.000 0.985 623 E CA 0.898 57.384 56.400 0.144 0.000 0.801 623 E CB -0.530 29.234 29.700 0.106 0.000 0.750 623 E HN 0.208 nan 8.360 nan 0.000 0.452 624 M N 0.726 120.499 119.600 0.288 0.000 2.149 624 M HA -0.174 4.305 4.480 -0.001 0.000 0.261 624 M C 1.877 178.422 176.300 0.408 0.000 1.064 624 M CA 1.518 57.088 55.300 0.449 0.000 1.102 624 M CB -0.064 32.796 32.600 0.433 0.000 1.369 624 M HN 0.002 nan 8.290 nan 0.000 0.408 625 T N 0.697 115.459 114.554 0.346 0.000 2.737 625 T HA -0.099 4.250 4.350 -0.001 0.000 0.265 625 T C 1.765 176.595 174.700 0.216 0.000 1.038 625 T CA 1.839 64.119 62.100 0.301 0.000 1.144 625 T CB -0.657 68.468 68.868 0.428 0.000 0.866 625 T HN 0.508 nan 8.240 nan 0.000 0.434 626 V N 0.769 120.758 119.914 0.125 0.000 2.407 626 V HA -0.094 4.025 4.120 -0.001 0.000 0.248 626 V C 2.402 178.750 176.094 0.423 0.000 1.055 626 V CA 1.402 63.822 62.300 0.199 0.000 1.049 626 V CB -1.335 30.437 31.823 -0.086 0.000 0.662 626 V HN 0.360 nan 8.190 nan 0.000 0.455 627 L N -0.127 121.264 121.223 0.279 0.000 1.994 627 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 627 L C 2.719 179.690 176.870 0.169 0.000 1.071 627 L CA 1.691 56.690 54.840 0.264 0.000 0.745 627 L CB -0.600 41.518 42.059 0.098 0.000 0.892 627 L HN 0.219 nan 8.230 nan 0.000 0.431 628 V N 0.198 120.139 119.914 0.045 0.000 2.231 628 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 628 V C 2.591 178.251 176.094 -0.724 0.000 1.054 628 V CA 2.268 64.349 62.300 -0.365 0.000 1.015 628 V CB -1.441 29.979 31.823 -0.672 0.000 0.638 628 V HN 0.610 nan 8.190 nan 0.000 0.444 629 G N -0.473 107.832 108.800 -0.824 0.000 2.418 629 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.217 629 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.217 629 G C 1.601 176.199 174.900 -0.503 0.000 1.158 629 G CA 1.020 45.420 45.100 -1.167 0.000 0.771 629 G HN 0.623 nan 8.290 nan 0.000 0.545 630 G N 0.918 109.709 108.800 -0.015 0.000 2.433 630 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 630 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 630 G C 1.817 176.516 174.900 -0.335 0.000 1.186 630 G CA 0.762 45.743 45.100 -0.199 0.000 0.779 630 G HN 0.410 nan 8.290 nan 0.000 0.543 631 L N -0.098 121.032 121.223 -0.155 0.000 2.083 631 L HA -0.049 4.290 4.340 -0.001 0.000 0.209 631 L C 3.214 179.942 176.870 -0.238 0.000 1.083 631 L CA 0.696 55.440 54.840 -0.159 0.000 0.752 631 L CB -0.287 41.662 42.059 -0.183 0.000 0.899 631 L HN 0.067 nan 8.230 nan 0.000 0.433 632 R N 0.051 120.332 120.500 -0.364 0.000 2.070 632 R HA -0.135 4.204 4.340 -0.001 0.000 0.233 632 R C 2.263 178.408 176.300 -0.259 0.000 1.137 632 R CA 1.892 57.770 56.100 -0.370 0.000 0.945 632 R CB -1.103 28.829 30.300 -0.615 0.000 0.845 632 R HN 0.446 nan 8.270 nan 0.000 0.430 633 V N -1.170 118.586 119.914 -0.263 0.000 2.970 633 V HA -0.022 4.097 4.120 -0.001 0.000 0.260 633 V C 2.094 178.102 176.094 -0.143 0.000 1.100 633 V CA 1.211 63.407 62.300 -0.172 0.000 1.122 633 V CB -0.589 31.142 31.823 -0.153 0.000 0.721 633 V HN 0.115 nan 8.190 nan 0.000 0.483 634 L N 1.327 122.443 121.223 -0.180 0.000 2.395 634 L HA 0.351 4.691 4.340 -0.001 0.000 0.218 634 L C 1.898 178.712 176.870 -0.093 0.000 1.130 634 L CA 0.960 55.708 54.840 -0.153 0.000 0.826 634 L CB -0.642 41.296 42.059 -0.203 0.000 0.941 634 L HN 0.656 nan 8.230 nan 0.000 0.451 635 G N -0.483 108.265 108.800 -0.086 0.000 2.142 635 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.225 635 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.225 635 G C 0.754 175.645 174.900 -0.015 0.000 1.015 635 G CA 0.216 45.290 45.100 -0.044 0.000 0.716 635 G HN 0.395 nan 8.290 nan 0.000 0.508 636 A N -0.516 122.287 122.820 -0.028 0.000 2.208 636 A HA 0.306 4.626 4.320 -0.001 0.000 0.209 636 A C 1.207 178.821 177.584 0.050 0.000 1.161 636 A CA 0.703 52.752 52.037 0.019 0.000 0.782 636 A CB -0.131 18.856 19.000 -0.022 0.000 0.816 636 A HN 0.480 nan 8.150 nan 0.000 0.477 637 N N 0.259 118.975 118.700 0.027 0.000 2.357 637 N HA -0.006 4.734 4.740 -0.001 0.000 0.257 637 N C -0.253 175.351 175.510 0.158 0.000 1.250 637 N CA 0.206 53.307 53.050 0.086 0.000 0.862 637 N CB -0.220 38.298 38.487 0.053 0.000 1.066 637 N HN 0.451 nan 8.380 nan 0.000 0.468 638 Y N 2.912 123.276 120.300 0.108 0.000 2.895 638 Y HA -0.194 4.355 4.550 -0.001 0.000 0.334 638 Y C 1.024 176.993 175.900 0.115 0.000 1.261 638 Y CA 0.627 58.807 58.100 0.134 0.000 1.560 638 Y CB 0.224 38.817 38.460 0.222 0.000 1.253 638 Y HN 0.702 nan 8.280 nan 0.000 0.582 639 K N 4.246 124.399 120.400 -0.412 0.000 3.193 639 K HA -0.355 3.964 4.320 -0.001 0.000 0.294 639 K C 0.249 176.794 176.600 -0.092 0.000 1.185 639 K CA 1.090 57.187 56.287 -0.317 0.000 0.866 639 K CB -0.819 31.426 32.500 -0.426 0.000 1.227 639 K HN 0.964 nan 8.250 nan 0.000 0.467 640 R N -0.818 119.665 120.500 -0.027 0.000 3.502 640 R HA -0.213 4.127 4.340 -0.001 0.000 0.266 640 R C 0.008 176.326 176.300 0.029 0.000 1.077 640 R CA 1.011 57.117 56.100 0.009 0.000 0.718 640 R CB -1.847 28.455 30.300 0.003 0.000 1.120 640 R HN 0.339 nan 8.270 nan 0.000 0.457 641 L N 1.470 122.724 121.223 0.052 0.000 2.461 641 L HA 0.092 4.432 4.340 -0.001 0.000 0.272 641 L C -0.499 176.418 176.870 0.077 0.000 1.197 641 L CA -1.352 53.534 54.840 0.076 0.000 0.836 641 L CB 0.200 42.328 42.059 0.115 0.000 1.105 641 L HN -0.060 nan 8.230 nan 0.000 0.477 642 P HA -0.004 nan 4.420 nan 0.000 0.245 642 P C 0.155 177.545 177.300 0.150 0.000 1.212 642 P CA 0.353 63.530 63.100 0.128 0.000 0.774 642 P CB 0.131 31.927 31.700 0.160 0.000 0.999 643 L N 0.523 121.821 121.223 0.125 0.000 2.565 643 L HA 0.246 4.585 4.340 -0.001 0.000 0.275 643 L C 1.541 178.395 176.870 -0.026 0.000 1.137 643 L CA 0.758 55.676 54.840 0.130 0.000 0.915 643 L CB -0.846 41.291 42.059 0.131 0.000 1.232 643 L HN 0.189 nan 8.230 nan 0.000 0.473 644 G N 2.558 111.256 108.800 -0.170 0.000 2.157 644 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.248 644 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.248 644 G C 0.155 174.520 174.900 -0.892 0.000 0.979 644 G CA -0.118 44.485 45.100 -0.828 0.000 0.650 644 G HN 0.413 nan 8.290 nan 0.000 0.529 645 V N 2.134 121.787 119.914 -0.435 0.000 2.056 645 V HA 0.349 4.468 4.120 -0.001 0.000 0.267 645 V C 0.299 176.297 176.094 -0.159 0.000 1.535 645 V CA -0.428 61.732 62.300 -0.233 0.000 1.475 645 V CB -0.842 30.958 31.823 -0.039 0.000 1.441 645 V HN 0.257 nan 8.190 nan 0.000 0.500 646 F N 1.752 121.497 119.950 -0.342 0.000 2.661 646 F HA 0.499 5.025 4.527 -0.001 0.000 0.356 646 F C 0.850 176.244 175.800 -0.676 0.000 1.244 646 F CA -0.130 57.224 58.000 -1.077 0.000 1.290 646 F CB -0.126 38.145 39.000 -1.214 0.000 1.677 646 F HN 0.282 nan 8.300 nan 0.000 0.649 647 T N -0.081 114.413 114.554 -0.101 0.000 2.885 647 T HA 0.279 4.628 4.350 -0.001 0.000 0.322 647 T C 0.690 175.555 174.700 0.276 0.000 1.387 647 T CA -0.478 61.681 62.100 0.098 0.000 1.041 647 T CB 1.436 70.315 68.868 0.017 0.000 1.287 647 T HN 0.282 nan 8.240 nan 0.000 0.491 648 E N 1.172 121.510 120.200 0.229 0.000 2.216 648 E HA 0.241 4.590 4.350 -0.001 0.000 0.192 648 E C 0.713 177.377 176.600 0.108 0.000 0.973 648 E CA 0.264 56.772 56.400 0.181 0.000 0.851 648 E CB 0.230 30.014 29.700 0.141 0.000 0.804 648 E HN 0.608 nan 8.360 nan 0.000 0.477 649 A N 1.664 124.533 122.820 0.082 0.000 2.280 649 A HA 0.433 4.753 4.320 -0.001 0.000 0.320 649 A C 0.075 177.678 177.584 0.032 0.000 1.366 649 A CA -0.316 51.751 52.037 0.049 0.000 0.938 649 A CB 0.618 19.642 19.000 0.040 0.000 1.157 649 A HN -0.077 nan 8.150 nan 0.000 0.536 650 S N 0.583 116.299 115.700 0.026 0.000 2.693 650 S HA 0.450 4.919 4.470 -0.001 0.000 0.276 650 S C 0.656 175.252 174.600 -0.007 0.000 1.192 650 S CA -0.006 58.197 58.200 0.005 0.000 0.994 650 S CB 0.887 64.094 63.200 0.011 0.000 1.012 650 S HN 0.962 nan 8.310 nan 0.000 0.550 651 E N -0.206 119.978 120.200 -0.025 0.000 2.868 651 E HA -0.178 4.172 4.350 -0.001 0.000 0.278 651 E C -0.763 175.815 176.600 -0.036 0.000 1.009 651 E CA 0.769 57.150 56.400 -0.033 0.000 0.856 651 E CB -1.047 28.641 29.700 -0.019 0.000 1.428 651 E HN 0.357 nan 8.360 nan 0.000 0.423 652 S N -0.082 115.594 115.700 -0.040 0.000 2.677 652 S HA 0.500 4.969 4.470 -0.001 0.000 0.283 652 S C -1.222 173.357 174.600 -0.036 0.000 1.159 652 S CA -0.859 57.326 58.200 -0.024 0.000 1.001 652 S CB 1.045 64.246 63.200 0.003 0.000 1.032 652 S HN 0.305 nan 8.310 nan 0.000 0.487 653 L N 6.593 127.793 121.223 -0.038 0.000 2.375 653 L HA 0.490 4.829 4.340 -0.001 0.000 0.276 653 L C 0.470 177.401 176.870 0.102 0.000 1.162 653 L CA 0.547 55.356 54.840 -0.052 0.000 0.991 653 L CB -0.108 41.841 42.059 -0.182 0.000 1.315 653 L HN 0.818 nan 8.230 nan 0.000 0.431 654 T N -0.105 114.517 114.554 0.113 0.000 2.905 654 T HA 0.399 4.748 4.350 -0.001 0.000 0.283 654 T C 0.724 175.414 174.700 -0.018 0.000 1.031 654 T CA -0.407 61.769 62.100 0.127 0.000 1.002 654 T CB 1.166 70.072 68.868 0.064 0.000 1.200 654 T HN 0.494 nan 8.240 nan 0.000 0.560 655 N N -0.405 118.218 118.700 -0.128 0.000 2.276 655 N HA 0.065 4.804 4.740 -0.001 0.000 0.212 655 N C 0.317 175.787 175.510 -0.066 0.000 1.127 655 N CA -0.090 52.746 53.050 -0.355 0.000 0.834 655 N CB -0.356 37.982 38.487 -0.248 0.000 1.014 655 N HN 0.545 nan 8.380 nan 0.000 0.491 656 D N 0.737 121.092 120.400 -0.076 0.000 2.220 656 D HA -0.209 4.430 4.640 -0.001 0.000 0.198 656 D C 1.159 177.397 176.300 -0.102 0.000 1.001 656 D CA 0.857 54.826 54.000 -0.053 0.000 0.875 656 D CB -0.366 40.410 40.800 -0.040 0.000 0.921 656 D HN 0.379 nan 8.370 nan 0.000 0.454 657 F N -0.020 119.695 119.950 -0.391 0.000 2.171 657 F HA -0.178 4.348 4.527 -0.001 0.000 0.300 657 F C 1.831 177.374 175.800 -0.430 0.000 1.090 657 F CA 1.312 59.002 58.000 -0.518 0.000 1.293 657 F CB -0.293 38.149 39.000 -0.929 0.000 1.013 657 F HN -0.099 nan 8.300 nan 0.000 0.486 658 F N -0.724 119.159 119.950 -0.110 0.000 2.149 658 F HA -0.094 4.433 4.527 -0.001 0.000 0.294 658 F C 2.335 178.052 175.800 -0.137 0.000 1.095 658 F CA 1.133 59.052 58.000 -0.135 0.000 1.276 658 F CB -1.218 37.754 39.000 -0.048 0.000 1.023 658 F HN -0.282 nan 8.300 nan 0.000 0.480 659 V N 0.767 120.729 119.914 0.079 0.000 2.282 659 V HA -0.337 3.782 4.120 -0.001 0.000 0.249 659 V C 2.088 178.158 176.094 -0.040 0.000 1.057 659 V CA 2.176 64.491 62.300 0.025 0.000 1.032 659 V CB -0.639 31.202 31.823 0.031 0.000 0.645 659 V HN 0.405 nan 8.190 nan 0.000 0.447 660 N N -0.431 118.192 118.700 -0.128 0.000 2.300 660 N HA -0.056 4.684 4.740 -0.001 0.000 0.179 660 N C 1.677 177.010 175.510 -0.295 0.000 1.016 660 N CA 0.862 53.783 53.050 -0.215 0.000 0.876 660 N CB -0.182 38.038 38.487 -0.444 0.000 0.979 660 N HN 0.332 nan 8.380 nan 0.000 0.432 661 L N 1.290 122.304 121.223 -0.349 0.000 2.201 661 L HA 0.022 4.362 4.340 -0.001 0.000 0.212 661 L C 1.816 178.615 176.870 -0.117 0.000 1.105 661 L CA 1.140 55.793 54.840 -0.311 0.000 0.775 661 L CB -0.301 41.487 42.059 -0.452 0.000 0.913 661 L HN 0.100 nan 8.230 nan 0.000 0.440 662 L N -1.090 120.090 121.223 -0.071 0.000 2.558 662 L HA 0.046 4.386 4.340 -0.001 0.000 0.225 662 L C 0.325 177.196 176.870 0.001 0.000 1.128 662 L CA -0.201 54.630 54.840 -0.014 0.000 0.868 662 L CB -0.416 41.648 42.059 0.008 0.000 1.006 662 L HN 0.165 nan 8.230 nan 0.000 0.454 663 D N 0.585 120.984 120.400 -0.002 0.000 2.382 663 D HA -0.035 4.605 4.640 -0.001 0.000 0.259 663 D C 1.029 177.340 176.300 0.019 0.000 1.224 663 D CA 0.251 54.259 54.000 0.013 0.000 0.894 663 D CB 0.943 41.759 40.800 0.026 0.000 1.127 663 D HN -0.077 nan 8.370 nan 0.000 0.487 664 M N 3.024 122.629 119.600 0.009 0.000 2.506 664 M HA 0.102 4.582 4.480 -0.001 0.000 0.260 664 M C 1.977 178.267 176.300 -0.017 0.000 1.104 664 M CA 0.319 55.622 55.300 0.006 0.000 1.112 664 M CB -0.623 31.980 32.600 0.004 0.000 1.401 664 M HN 0.558 nan 8.290 nan 0.000 0.473 665 G N 0.565 109.350 108.800 -0.026 0.000 2.527 665 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.219 665 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.219 665 G C 0.569 175.411 174.900 -0.096 0.000 1.117 665 G CA 0.357 45.427 45.100 -0.051 0.000 0.759 665 G HN 0.337 nan 8.290 nan 0.000 0.556 666 I N 1.133 121.637 120.570 -0.110 0.000 2.321 666 I HA 0.261 4.430 4.170 -0.001 0.000 0.291 666 I C -0.173 175.783 176.117 -0.270 0.000 0.998 666 I CA -0.032 61.116 61.300 -0.253 0.000 1.227 666 I CB 2.074 39.878 38.000 -0.326 0.000 1.368 666 I HN -0.243 nan 8.210 nan 0.000 0.466 667 T N 5.429 119.806 114.554 -0.296 0.000 2.767 667 T HA 0.331 4.680 4.350 -0.001 0.000 0.288 667 T C -0.852 173.695 174.700 -0.255 0.000 0.963 667 T CA -0.286 61.708 62.100 -0.177 0.000 1.019 667 T CB 0.237 69.048 68.868 -0.095 0.000 0.923 667 T HN 0.298 nan 8.240 nan 0.000 0.468 668 W N 2.248 123.552 121.300 0.006 0.000 2.433 668 W HA 0.526 5.185 4.660 -0.001 0.000 0.315 668 W C 0.293 176.867 176.519 0.091 0.000 1.087 668 W CA -0.661 56.708 57.345 0.040 0.000 1.205 668 W CB 0.997 30.446 29.460 -0.018 0.000 1.288 668 W HN 0.575 nan 8.180 nan 0.000 0.504 669 E N 3.574 124.026 120.200 0.419 0.000 2.290 669 E HA 0.282 4.631 4.350 -0.001 0.000 0.274 669 E C -2.563 174.253 176.600 0.361 0.000 0.889 669 E CA -2.346 54.239 56.400 0.307 0.000 0.760 669 E CB 1.825 31.617 29.700 0.153 0.000 1.206 669 E HN -0.023 nan 8.360 nan 0.000 0.419 670 P HA -0.041 nan 4.420 nan 0.000 0.261 670 P C -0.546 176.735 177.300 -0.032 0.000 1.183 670 P CA 0.253 63.327 63.100 -0.045 0.000 0.761 670 P CB 0.513 32.186 31.700 -0.045 0.000 0.785 671 S N 5.537 121.185 115.700 -0.087 0.000 2.554 671 S HA -0.021 4.448 4.470 -0.001 0.000 0.290 671 S C -0.946 173.642 174.600 -0.019 0.000 1.309 671 S CA -0.433 57.757 58.200 -0.017 0.000 1.047 671 S CB -0.290 62.897 63.200 -0.021 0.000 0.828 671 S HN 0.432 nan 8.310 nan 0.000 0.509 672 P HA -0.006 nan 4.420 nan 0.000 0.215 672 P C 0.030 177.326 177.300 -0.006 0.000 1.157 672 P CA 0.870 63.971 63.100 0.000 0.000 0.863 672 P CB 0.088 31.791 31.700 0.006 0.000 0.787 673 A N 0.784 123.602 122.820 -0.004 0.000 2.990 673 A HA 0.081 4.400 4.320 -0.001 0.000 0.282 673 A C 0.024 177.597 177.584 -0.018 0.000 1.688 673 A CA -0.297 51.737 52.037 -0.005 0.000 1.391 673 A CB -1.530 17.473 19.000 0.004 0.000 1.112 673 A HN 0.008 nan 8.150 nan 0.000 0.588 674 D N 2.484 122.867 120.400 -0.028 0.000 2.659 674 D HA -0.059 4.581 4.640 -0.001 0.000 0.275 674 D C -0.081 176.192 176.300 -0.044 0.000 1.407 674 D CA 1.070 55.042 54.000 -0.048 0.000 1.033 674 D CB 0.248 41.025 40.800 -0.038 0.000 1.139 674 D HN 0.605 nan 8.370 nan 0.000 0.565 675 D N 1.673 122.039 120.400 -0.057 0.000 2.692 675 D HA 0.218 4.857 4.640 -0.001 0.000 0.290 675 D C 1.268 177.539 176.300 -0.049 0.000 1.455 675 D CA -0.014 53.964 54.000 -0.037 0.000 0.796 675 D CB -0.189 40.606 40.800 -0.009 0.000 1.131 675 D HN 0.406 nan 8.370 nan 0.000 0.467 676 G N 0.412 109.157 108.800 -0.093 0.000 2.155 676 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.257 676 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.257 676 G C 0.449 175.287 174.900 -0.104 0.000 0.983 676 G CA 0.845 45.889 45.100 -0.094 0.000 0.676 676 G HN 0.942 nan 8.290 nan 0.000 0.528 677 T N -2.610 111.853 114.554 -0.152 0.000 2.940 677 T HA 0.789 5.138 4.350 -0.001 0.000 0.288 677 T C -0.465 174.107 174.700 -0.213 0.000 1.045 677 T CA -0.919 61.158 62.100 -0.038 0.000 1.018 677 T CB 2.477 71.395 68.868 0.083 0.000 1.151 677 T HN 0.423 nan 8.240 nan 0.000 0.529 678 Y N -0.543 119.880 120.300 0.206 0.000 2.602 678 Y HA 0.566 5.116 4.550 -0.001 0.000 0.342 678 Y C 0.126 176.276 175.900 0.417 0.000 1.029 678 Y CA -1.096 57.185 58.100 0.303 0.000 1.080 678 Y CB 2.319 40.971 38.460 0.320 0.000 1.284 678 Y HN 0.624 nan 8.280 nan 0.000 0.485 679 Q N 0.605 120.715 119.800 0.517 0.000 2.330 679 Q HA 0.544 4.884 4.340 -0.001 0.000 0.269 679 Q C -0.469 175.508 176.000 -0.037 0.000 1.022 679 Q CA -0.877 55.081 55.803 0.258 0.000 0.796 679 Q CB 2.213 31.015 28.738 0.107 0.000 1.271 679 Q HN 0.917 nan 8.270 nan 0.000 0.450 680 G N 2.788 111.251 108.800 -0.563 0.000 2.404 680 G HA2 0.357 4.317 3.960 -0.001 0.000 0.316 680 G HA3 0.357 4.317 3.960 -0.001 0.000 0.316 680 G C -0.552 173.964 174.900 -0.639 0.000 1.074 680 G CA -0.396 43.923 45.100 -1.301 0.000 0.989 680 G HN 0.350 nan 8.290 nan 0.000 0.430 681 K N 2.112 122.224 120.400 -0.481 0.000 2.182 681 K HA 0.319 4.638 4.320 -0.001 0.000 0.262 681 K C -0.220 176.203 176.600 -0.294 0.000 0.957 681 K CA -0.799 55.300 56.287 -0.314 0.000 0.842 681 K CB 1.855 34.237 32.500 -0.197 0.000 1.099 681 K HN 0.688 nan 8.250 nan 0.000 0.438 682 D N 0.742 120.986 120.400 -0.259 0.000 2.348 682 D HA 0.038 4.678 4.640 -0.001 0.000 0.272 682 D C 1.293 177.508 176.300 -0.143 0.000 1.237 682 D CA -0.391 53.487 54.000 -0.203 0.000 1.042 682 D CB -0.186 40.491 40.800 -0.204 0.000 1.117 682 D HN 0.449 nan 8.370 nan 0.000 0.548 683 G N -1.354 107.379 108.800 -0.112 0.000 2.408 683 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 683 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 683 G C 1.490 176.343 174.900 -0.077 0.000 1.150 683 G CA 1.222 46.272 45.100 -0.083 0.000 0.776 683 G HN 0.538 nan 8.290 nan 0.000 0.542 684 S N -0.533 115.115 115.700 -0.086 0.000 2.423 684 S HA 0.289 4.759 4.470 -0.001 0.000 0.231 684 S C 1.961 176.516 174.600 -0.075 0.000 1.014 684 S CA 1.327 59.482 58.200 -0.075 0.000 0.965 684 S CB -0.136 63.018 63.200 -0.078 0.000 0.785 684 S HN 1.506 nan 8.310 nan 0.000 0.495 685 G N 0.704 109.450 108.800 -0.091 0.000 2.255 685 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.196 685 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.196 685 G C -0.026 174.815 174.900 -0.098 0.000 0.998 685 G CA -0.053 44.997 45.100 -0.085 0.000 0.656 685 G HN 0.658 nan 8.290 nan 0.000 0.490 686 K N 1.319 121.651 120.400 -0.114 0.000 2.270 686 K HA 0.544 4.864 4.320 -0.001 0.000 0.276 686 K C 0.740 177.237 176.600 -0.171 0.000 1.023 686 K CA -0.462 55.751 56.287 -0.125 0.000 0.955 686 K CB 0.957 33.383 32.500 -0.123 0.000 0.975 686 K HN 0.026 nan 8.250 nan 0.000 0.471 687 V N 5.193 125.015 119.914 -0.154 0.000 2.485 687 V HA -0.034 4.085 4.120 -0.001 0.000 0.287 687 V C 1.236 177.169 176.094 -0.269 0.000 1.022 687 V CA 0.401 62.590 62.300 -0.185 0.000 1.067 687 V CB 0.923 32.688 31.823 -0.097 0.000 0.967 687 V HN 0.893 nan 8.190 nan 0.000 0.479 688 K N 3.789 123.929 120.400 -0.433 0.000 2.262 688 K HA 0.162 4.481 4.320 -0.001 0.000 0.200 688 K C -0.024 176.138 176.600 -0.731 0.000 1.058 688 K CA 0.165 56.010 56.287 -0.737 0.000 0.974 688 K CB 0.449 32.297 32.500 -1.087 0.000 0.910 688 K HN 0.665 nan 8.250 nan 0.000 0.484 689 W N 0.670 121.895 121.300 -0.125 0.000 2.781 689 W HA 0.360 5.019 4.660 -0.001 0.000 0.345 689 W C -0.804 175.829 176.519 0.191 0.000 1.085 689 W CA -1.203 56.181 57.345 0.065 0.000 1.198 689 W CB 1.750 31.174 29.460 -0.059 0.000 1.423 689 W HN -0.160 nan 8.180 nan 0.000 0.532 690 T N -0.237 114.743 114.554 0.711 0.000 2.887 690 T HA 0.888 5.237 4.350 -0.001 0.000 0.288 690 T C -0.335 174.813 174.700 0.747 0.000 1.021 690 T CA -0.808 61.672 62.100 0.633 0.000 1.000 690 T CB 1.918 71.012 68.868 0.378 0.000 1.034 690 T HN 0.714 nan 8.240 nan 0.000 0.467 691 G N 0.402 109.587 108.800 0.642 0.000 2.660 691 G HA2 0.634 4.593 3.960 -0.001 0.000 0.294 691 G HA3 0.634 4.593 3.960 -0.001 0.000 0.294 691 G C -0.557 174.547 174.900 0.340 0.000 1.369 691 G CA -0.698 44.659 45.100 0.428 0.000 0.912 691 G HN 1.046 nan 8.290 nan 0.000 0.479 692 S N -0.134 115.696 115.700 0.216 0.000 2.758 692 S HA 0.419 4.888 4.470 -0.001 0.000 0.292 692 S C 1.268 175.990 174.600 0.204 0.000 1.131 692 S CA -0.727 57.601 58.200 0.213 0.000 0.997 692 S CB 1.855 65.123 63.200 0.112 0.000 1.111 692 S HN 0.591 nan 8.310 nan 0.000 0.552 693 R N -0.407 120.224 120.500 0.218 0.000 2.096 693 R HA -0.032 4.307 4.340 -0.001 0.000 0.235 693 R C 2.089 178.393 176.300 0.007 0.000 1.127 693 R CA 1.274 57.455 56.100 0.133 0.000 0.968 693 R CB -0.966 29.421 30.300 0.145 0.000 0.861 693 R HN 0.511 nan 8.270 nan 0.000 0.440 694 V N 1.746 121.678 119.914 0.030 0.000 2.343 694 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 694 V C 1.705 177.896 176.094 0.161 0.000 1.051 694 V CA 1.901 64.222 62.300 0.034 0.000 1.036 694 V CB -0.392 31.438 31.823 0.011 0.000 0.654 694 V HN 0.318 nan 8.190 nan 0.000 0.451 695 D N -0.041 120.435 120.400 0.126 0.000 2.097 695 D HA -0.127 4.512 4.640 -0.001 0.000 0.195 695 D C 2.158 178.524 176.300 0.110 0.000 0.989 695 D CA 1.248 55.367 54.000 0.199 0.000 0.827 695 D CB -0.091 40.770 40.800 0.101 0.000 0.966 695 D HN 0.331 nan 8.370 nan 0.000 0.456 696 L N 0.800 121.927 121.223 -0.160 0.000 2.156 696 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 696 L C 2.617 179.334 176.870 -0.255 0.000 1.095 696 L CA 0.290 54.889 54.840 -0.403 0.000 0.770 696 L CB -0.362 41.236 42.059 -0.768 0.000 0.914 696 L HN -0.075 nan 8.230 nan 0.000 0.439 697 V N 0.092 119.889 119.914 -0.195 0.000 2.546 697 V HA -0.323 3.797 4.120 -0.001 0.000 0.254 697 V C 2.181 178.106 176.094 -0.280 0.000 1.076 697 V CA 1.970 64.106 62.300 -0.273 0.000 1.087 697 V CB -0.398 31.209 31.823 -0.359 0.000 0.674 697 V HN 0.266 nan 8.190 nan 0.000 0.470 698 F N 0.300 120.193 119.950 -0.095 0.000 2.456 698 F HA 0.153 4.679 4.527 -0.001 0.000 0.298 698 F C 2.217 177.980 175.800 -0.062 0.000 1.104 698 F CA 1.103 59.089 58.000 -0.023 0.000 1.435 698 F CB -0.557 38.503 39.000 0.100 0.000 1.078 698 F HN 0.261 nan 8.300 nan 0.000 0.546 699 G N -1.996 106.810 108.800 0.009 0.000 2.662 699 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.212 699 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.212 699 G C 1.674 176.512 174.900 -0.104 0.000 1.141 699 G CA 0.791 45.848 45.100 -0.072 0.000 0.797 699 G HN 0.317 nan 8.290 nan 0.000 0.531 700 S N 0.131 115.743 115.700 -0.147 0.000 2.398 700 S HA 0.035 4.505 4.470 -0.001 0.000 0.220 700 S C 1.099 175.608 174.600 -0.152 0.000 1.046 700 S CA -0.275 57.830 58.200 -0.160 0.000 0.953 700 S CB -0.343 62.737 63.200 -0.199 0.000 0.856 700 S HN 0.375 nan 8.310 nan 0.000 0.506 701 N N 1.259 119.852 118.700 -0.178 0.000 2.434 701 N HA 0.022 4.761 4.740 -0.001 0.000 0.268 701 N C 1.157 176.591 175.510 -0.128 0.000 1.256 701 N CA 0.505 53.446 53.050 -0.181 0.000 0.914 701 N CB 0.865 39.212 38.487 -0.233 0.000 1.088 701 N HN 0.345 nan 8.380 nan 0.000 0.478 702 S N 2.596 118.218 115.700 -0.131 0.000 2.423 702 S HA -0.240 4.229 4.470 -0.001 0.000 0.238 702 S C 1.138 175.702 174.600 -0.059 0.000 1.028 702 S CA 1.267 59.409 58.200 -0.097 0.000 1.000 702 S CB -0.237 62.889 63.200 -0.123 0.000 0.797 702 S HN 0.755 nan 8.310 nan 0.000 0.487 703 E N 0.435 120.599 120.200 -0.060 0.000 2.276 703 E HA 0.230 4.579 4.350 -0.001 0.000 0.193 703 E C 1.937 178.544 176.600 0.012 0.000 0.983 703 E CA 0.363 56.751 56.400 -0.020 0.000 0.861 703 E CB -0.079 29.610 29.700 -0.019 0.000 0.817 703 E HN 0.490 nan 8.360 nan 0.000 0.485 704 L N 0.392 121.607 121.223 -0.013 0.000 2.095 704 L HA -0.025 4.315 4.340 -0.001 0.000 0.204 704 L C 2.636 179.598 176.870 0.153 0.000 1.080 704 L CA 0.627 55.506 54.840 0.066 0.000 0.759 704 L CB -0.194 41.805 42.059 -0.101 0.000 0.914 704 L HN 0.024 nan 8.230 nan 0.000 0.439 705 R N 0.318 120.864 120.500 0.076 0.000 2.103 705 R HA -0.238 4.102 4.340 -0.001 0.000 0.242 705 R C 2.305 178.654 176.300 0.082 0.000 1.142 705 R CA 1.605 57.754 56.100 0.082 0.000 0.960 705 R CB -0.278 30.031 30.300 0.016 0.000 0.858 705 R HN 0.378 nan 8.270 nan 0.000 0.439 706 A N 0.933 123.784 122.820 0.052 0.000 1.892 706 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 706 A C 2.167 179.785 177.584 0.056 0.000 1.188 706 A CA 1.482 53.541 52.037 0.037 0.000 0.631 706 A CB -0.597 18.415 19.000 0.019 0.000 0.822 706 A HN 0.337 nan 8.150 nan 0.000 0.447 707 L N -0.670 120.623 121.223 0.116 0.000 2.141 707 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 707 L C 2.394 179.387 176.870 0.205 0.000 1.094 707 L CA 0.807 55.746 54.840 0.165 0.000 0.763 707 L CB -0.541 41.681 42.059 0.272 0.000 0.908 707 L HN 0.235 nan 8.230 nan 0.000 0.437 708 V N -0.150 119.917 119.914 0.255 0.000 2.548 708 V HA -0.207 3.913 4.120 -0.001 0.000 0.249 708 V C 2.128 178.311 176.094 0.149 0.000 1.055 708 V CA 1.480 63.969 62.300 0.315 0.000 1.065 708 V CB -0.417 31.625 31.823 0.364 0.000 0.681 708 V HN 0.459 nan 8.190 nan 0.000 0.462 709 E N -0.417 119.827 120.200 0.074 0.000 2.427 709 E HA -0.079 4.271 4.350 -0.001 0.000 0.196 709 E C 2.025 178.594 176.600 -0.051 0.000 1.028 709 E CA 0.515 56.924 56.400 0.016 0.000 0.864 709 E CB 0.179 29.884 29.700 0.008 0.000 0.813 709 E HN 0.464 nan 8.360 nan 0.000 0.514 710 V N -0.132 119.711 119.914 -0.119 0.000 2.331 710 V HA -0.187 3.932 4.120 -0.001 0.000 0.242 710 V C 1.384 177.260 176.094 -0.363 0.000 1.034 710 V CA 1.424 63.550 62.300 -0.291 0.000 1.027 710 V CB -0.324 31.221 31.823 -0.463 0.000 0.667 710 V HN 0.293 nan 8.190 nan 0.000 0.457 711 Y N 0.558 120.709 120.300 -0.248 0.000 2.490 711 Y HA 0.246 4.795 4.550 -0.001 0.000 0.281 711 Y C 2.158 177.863 175.900 -0.325 0.000 1.174 711 Y CA 0.584 58.439 58.100 -0.408 0.000 1.295 711 Y CB -0.035 37.847 38.460 -0.962 0.000 1.062 711 Y HN 0.297 nan 8.280 nan 0.000 0.522 712 G N -0.396 108.389 108.800 -0.025 0.000 3.020 712 G HA2 0.318 4.278 3.960 -0.001 0.000 0.217 712 G HA3 0.318 4.278 3.960 -0.001 0.000 0.217 712 G C 0.724 175.643 174.900 0.032 0.000 1.144 712 G CA 0.262 45.404 45.100 0.071 0.000 0.760 712 G HN 0.296 nan 8.290 nan 0.000 0.548 713 A N 0.700 123.518 122.820 -0.004 0.000 2.475 713 A HA 0.297 4.616 4.320 -0.001 0.000 0.239 713 A C 1.240 178.832 177.584 0.015 0.000 1.087 713 A CA 0.298 52.333 52.037 -0.004 0.000 0.779 713 A CB 0.352 19.334 19.000 -0.030 0.000 1.036 713 A HN 0.131 nan 8.150 nan 0.000 0.506 714 D N 0.142 120.551 120.400 0.016 0.000 2.178 714 D HA -0.121 4.518 4.640 -0.001 0.000 0.201 714 D C 0.959 177.278 176.300 0.033 0.000 0.980 714 D CA 1.765 55.781 54.000 0.026 0.000 0.842 714 D CB -0.176 40.637 40.800 0.020 0.000 0.948 714 D HN 0.745 nan 8.370 nan 0.000 0.472 715 D N -0.185 120.228 120.400 0.022 0.000 2.340 715 D HA 0.102 4.741 4.640 -0.001 0.000 0.220 715 D C 1.429 177.753 176.300 0.041 0.000 1.039 715 D CA 0.156 54.173 54.000 0.028 0.000 0.866 715 D CB -0.154 40.653 40.800 0.013 0.000 0.913 715 D HN 0.092 nan 8.370 nan 0.000 0.523 716 A N 0.092 122.939 122.820 0.046 0.000 2.081 716 A HA -0.040 4.279 4.320 -0.001 0.000 0.214 716 A C 2.110 179.778 177.584 0.140 0.000 1.158 716 A CA 0.588 52.658 52.037 0.055 0.000 0.724 716 A CB -0.432 18.577 19.000 0.016 0.000 0.826 716 A HN 0.233 nan 8.150 nan 0.000 0.463 717 Q N 0.199 120.088 119.800 0.149 0.000 2.084 717 Q HA -0.126 4.213 4.340 -0.001 0.000 0.202 717 Q C -0.827 175.247 176.000 0.122 0.000 0.978 717 Q CA 1.994 57.918 55.803 0.201 0.000 0.844 717 Q CB -0.715 28.156 28.738 0.221 0.000 0.898 717 Q HN 0.444 nan 8.270 nan 0.000 0.426 718 P HA -0.208 nan 4.420 nan 0.000 0.215 718 P C 0.647 177.960 177.300 0.022 0.000 1.157 718 P CA 1.535 64.652 63.100 0.029 0.000 0.868 718 P CB -0.120 31.643 31.700 0.105 0.000 0.788 719 K N -1.171 119.282 120.400 0.088 0.000 2.147 719 K HA -0.168 4.152 4.320 -0.001 0.000 0.205 719 K C 2.014 178.750 176.600 0.227 0.000 1.049 719 K CA 1.088 57.449 56.287 0.124 0.000 0.936 719 K CB -0.596 31.962 32.500 0.097 0.000 0.722 719 K HN 0.003 nan 8.250 nan 0.000 0.446 720 F N 1.093 121.126 119.950 0.138 0.000 2.146 720 F HA -0.155 4.372 4.527 -0.001 0.000 0.298 720 F C 1.620 177.423 175.800 0.004 0.000 1.096 720 F CA 1.164 59.217 58.000 0.087 0.000 1.275 720 F CB -0.391 38.624 39.000 0.026 0.000 1.008 720 F HN -0.205 nan 8.300 nan 0.000 0.480 721 V N 0.636 120.329 119.914 -0.368 0.000 2.358 721 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 721 V C 2.411 178.365 176.094 -0.234 0.000 1.047 721 V CA 2.230 64.262 62.300 -0.447 0.000 1.035 721 V CB -0.947 30.624 31.823 -0.419 0.000 0.658 721 V HN 0.384 nan 8.190 nan 0.000 0.452 722 Q N -0.234 119.490 119.800 -0.126 0.000 2.061 722 Q HA -0.252 4.087 4.340 -0.001 0.000 0.204 722 Q C 2.061 178.035 176.000 -0.043 0.000 0.984 722 Q CA 2.126 57.898 55.803 -0.051 0.000 0.846 722 Q CB -0.200 28.535 28.738 -0.005 0.000 0.902 722 Q HN 0.623 nan 8.270 nan 0.000 0.421 723 D N -0.502 119.880 120.400 -0.031 0.000 2.183 723 D HA -0.111 4.529 4.640 -0.001 0.000 0.203 723 D C 1.397 177.642 176.300 -0.092 0.000 0.969 723 D CA 0.519 54.512 54.000 -0.011 0.000 0.842 723 D CB -0.200 40.671 40.800 0.118 0.000 0.957 723 D HN 0.153 nan 8.370 nan 0.000 0.484 724 F N 1.328 121.054 119.950 -0.374 0.000 2.102 724 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 724 F C 2.103 177.817 175.800 -0.143 0.000 1.105 724 F CA 1.084 58.867 58.000 -0.360 0.000 1.239 724 F CB -0.258 38.314 39.000 -0.714 0.000 0.991 724 F HN -0.217 nan 8.300 nan 0.000 0.474 725 V N 0.589 120.445 119.914 -0.096 0.000 2.343 725 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 725 V C 2.748 178.815 176.094 -0.044 0.000 1.051 725 V CA 1.719 63.984 62.300 -0.059 0.000 1.036 725 V CB -1.459 30.365 31.823 0.001 0.000 0.654 725 V HN 0.508 nan 8.190 nan 0.000 0.451 726 A N 0.057 122.846 122.820 -0.053 0.000 1.883 726 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 726 A C 2.452 179.994 177.584 -0.069 0.000 1.186 726 A CA 2.350 54.362 52.037 -0.042 0.000 0.624 726 A CB -0.943 18.043 19.000 -0.024 0.000 0.822 726 A HN 0.577 nan 8.150 nan 0.000 0.444 727 A N -1.057 121.698 122.820 -0.108 0.000 1.865 727 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 727 A C 2.151 179.652 177.584 -0.138 0.000 1.191 727 A CA 1.628 53.593 52.037 -0.121 0.000 0.623 727 A CB -1.124 17.798 19.000 -0.130 0.000 0.826 727 A HN 0.895 nan 8.150 nan 0.000 0.444 728 W N 1.035 122.063 121.300 -0.453 0.000 2.335 728 W HA -0.247 4.413 4.660 -0.001 0.000 0.311 728 W C 1.555 177.953 176.519 -0.201 0.000 1.213 728 W CA 2.450 59.571 57.345 -0.373 0.000 1.274 728 W CB -0.583 28.536 29.460 -0.567 0.000 1.148 728 W HN 0.519 nan 8.180 nan 0.000 0.498 729 D N 0.427 120.832 120.400 0.009 0.000 2.123 729 D HA -0.254 4.385 4.640 -0.001 0.000 0.196 729 D C 2.249 178.430 176.300 -0.198 0.000 0.992 729 D CA 2.268 56.223 54.000 -0.074 0.000 0.833 729 D CB -0.425 40.377 40.800 0.004 0.000 0.954 729 D HN 0.105 nan 8.370 nan 0.000 0.455 730 K N -0.188 120.108 120.400 -0.174 0.000 2.063 730 K HA -0.140 4.180 4.320 -0.001 0.000 0.208 730 K C 1.946 178.369 176.600 -0.294 0.000 1.048 730 K CA 1.264 57.431 56.287 -0.200 0.000 0.928 730 K CB -0.105 32.312 32.500 -0.138 0.000 0.713 730 K HN 0.065 nan 8.250 nan 0.000 0.442 731 V N 1.275 120.987 119.914 -0.338 0.000 2.358 731 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 731 V C 2.415 178.189 176.094 -0.533 0.000 1.047 731 V CA 1.374 63.407 62.300 -0.445 0.000 1.035 731 V CB -0.317 31.228 31.823 -0.462 0.000 0.658 731 V HN 0.392 nan 8.190 nan 0.000 0.452 732 M N 0.386 119.645 119.600 -0.569 0.000 2.267 732 M HA -0.097 4.383 4.480 -0.001 0.000 0.263 732 M C 1.426 177.488 176.300 -0.398 0.000 1.063 732 M CA 1.407 56.413 55.300 -0.490 0.000 1.090 732 M CB -1.292 31.053 32.600 -0.425 0.000 1.392 732 M HN 0.394 nan 8.290 nan 0.000 0.422 733 N N 0.009 118.471 118.700 -0.397 0.000 2.230 733 N HA 0.176 4.915 4.740 -0.001 0.000 0.202 733 N C 1.620 176.819 175.510 -0.518 0.000 1.119 733 N CA 0.089 52.901 53.050 -0.397 0.000 0.851 733 N CB 0.272 38.563 38.487 -0.326 0.000 0.990 733 N HN 0.357 nan 8.380 nan 0.000 0.497 734 L N 0.949 121.793 121.223 -0.632 0.000 2.042 734 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 734 L C 1.412 177.534 176.870 -1.246 0.000 1.076 734 L CA 1.483 55.738 54.840 -0.975 0.000 0.749 734 L CB -0.201 41.154 42.059 -1.173 0.000 0.893 734 L HN 0.152 nan 8.230 nan 0.000 0.432 735 D N -1.585 118.302 120.400 -0.855 0.000 2.339 735 D HA -0.077 4.562 4.640 -0.001 0.000 0.217 735 D C 0.792 176.900 176.300 -0.320 0.000 1.050 735 D CA 0.008 53.777 54.000 -0.384 0.000 0.856 735 D CB -0.137 40.686 40.800 0.039 0.000 0.922 735 D HN 0.016 nan 8.370 nan 0.000 0.518 736 R N 0.973 121.173 120.500 -0.499 0.000 4.154 736 R HA 0.146 4.486 4.340 -0.001 0.000 0.186 736 R C -0.044 176.025 176.300 -0.386 0.000 1.750 736 R CA -0.260 55.631 56.100 -0.348 0.000 1.431 736 R CB -1.318 28.791 30.300 -0.319 0.000 1.383 736 R HN 0.266 nan 8.270 nan 0.000 0.788 737 F N 0.586 120.507 119.950 -0.048 0.000 2.710 737 F HA -0.073 4.453 4.527 -0.001 0.000 0.298 737 F C 1.986 177.773 175.800 -0.021 0.000 1.137 737 F CA 0.499 58.488 58.000 -0.018 0.000 1.444 737 F CB 0.131 39.147 39.000 0.026 0.000 1.111 737 F HN 0.290 nan 8.300 nan 0.000 0.580 738 D N 0.768 121.222 120.400 0.091 0.000 2.348 738 D HA -0.100 4.539 4.640 -0.001 0.000 0.216 738 D C 1.103 177.401 176.300 -0.003 0.000 0.970 738 D CA 1.179 55.202 54.000 0.040 0.000 0.889 738 D CB -0.258 40.549 40.800 0.011 0.000 0.912 738 D HN 0.329 nan 8.370 nan 0.000 0.524 739 V N -3.373 116.519 119.914 -0.036 0.000 2.841 739 V HA 0.521 4.640 4.120 -0.001 0.000 0.363 739 V C 0.035 176.093 176.094 -0.059 0.000 1.330 739 V CA -0.914 61.351 62.300 -0.059 0.000 1.207 739 V CB -0.299 31.465 31.823 -0.099 0.000 1.318 739 V HN -0.089 nan 8.190 nan 0.000 0.603 740 R N 0.000 120.490 120.500 -0.017 0.000 2.786 740 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 740 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 740 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535