REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2cca_1_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 TGTGKDAITS GIEVVWTNTP DATA SEQUENCE TKWDNSFLEI LYGYEWELTK SPAGAWQYTA KDGAGAGTIP DPFGGPGRSP DATA SEQUENCE TMLATDLSLR VDPIYERITR RWLEHPEELA DEFAKAWYKL IHRDMGPVAR DATA SEQUENCE YLGPLVPKQT LLWQDPVPAV SHDLVGEAEI ASLKSQIRAS GLTVSQLVST DATA SEQUENCE AWAAASSFRG SDKRGGANGG RIRLQPQVGW EVNDPDGDLR KVIRTLEEIQ DATA SEQUENCE ESFNSAAPGN IKVSFADLVV LGGCAAIEKA AKAAGHNITV PFTPGRTDAS DATA SEQUENCE QEQTDVESFA VLEPKADGFR NYLGKGNPLP AEYMLLDKAN LLTLSAPEMT DATA SEQUENCE VLVGGLRVLG ANYKRLPLGV FTEASESLTN DFFVNLLDMG ITWEPSPADD DATA SEQUENCE GTYQGKDGSG KVKWTGSRVD LVFGSNSELR ALVEVYGADD AQPKFVQDFV DATA SEQUENCE AAWDKVMNLD RFDVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 M HA 0.000 nan 4.480 nan 0.000 0.227 26 M C 0.000 176.261 176.300 -0.065 0.000 1.140 26 M CA 0.000 55.209 55.300 -0.152 0.000 0.988 26 M CB 0.000 32.487 32.600 -0.189 0.000 1.302 27 K N -0.076 120.295 120.400 -0.048 0.000 2.281 27 K HA 0.514 4.833 4.320 -0.001 0.000 0.242 27 K C -1.405 175.226 176.600 0.051 0.000 0.971 27 K CA -0.837 55.472 56.287 0.036 0.000 0.834 27 K CB 1.656 34.179 32.500 0.038 0.000 1.181 27 K HN 0.054 nan 8.250 nan 0.000 0.435 28 Y N 1.332 121.632 120.300 0.000 0.000 2.597 28 Y HA -0.053 4.497 4.550 -0.001 0.000 0.336 28 Y C -1.418 174.490 175.900 0.014 0.000 1.216 28 Y CA -0.990 57.117 58.100 0.011 0.000 1.463 28 Y CB 0.354 38.819 38.460 0.007 0.000 1.303 28 Y HN 0.534 nan 8.280 nan 0.000 0.576 29 P HA -0.229 nan 4.420 nan 0.000 0.217 29 P C 1.577 178.941 177.300 0.106 0.000 1.148 29 P CA 1.206 64.368 63.100 0.104 0.000 0.828 29 P CB 0.158 31.909 31.700 0.086 0.000 0.783 30 V N -0.262 119.735 119.914 0.137 0.000 2.913 30 V HA -0.140 3.979 4.120 -0.001 0.000 0.260 30 V C 1.706 177.834 176.094 0.057 0.000 1.098 30 V CA 1.701 64.050 62.300 0.081 0.000 1.121 30 V CB -0.804 31.054 31.823 0.060 0.000 0.714 30 V HN 0.103 nan 8.190 nan 0.000 0.487 31 E N -1.179 119.071 120.200 0.083 0.000 2.499 31 E HA 0.305 4.654 4.350 -0.001 0.000 0.199 31 E C 1.230 177.859 176.600 0.048 0.000 1.016 31 E CA 0.557 56.989 56.400 0.053 0.000 0.933 31 E CB 0.312 30.047 29.700 0.059 0.000 1.050 31 E HN 0.600 nan 8.360 nan 0.000 0.462 32 G N 0.086 108.918 108.800 0.053 0.000 2.176 32 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.232 32 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.232 32 G C 0.508 175.429 174.900 0.036 0.000 0.986 32 G CA -0.267 44.856 45.100 0.039 0.000 0.643 32 G HN 0.474 nan 8.290 nan 0.000 0.522 33 G N 0.019 108.845 108.800 0.044 0.000 2.491 33 G HA2 0.668 4.628 3.960 -0.001 0.000 0.238 33 G HA3 0.668 4.628 3.960 -0.001 0.000 0.238 33 G C 0.544 175.470 174.900 0.045 0.000 1.277 33 G CA 0.783 45.897 45.100 0.024 0.000 0.851 33 G HN 1.540 nan 8.290 nan 0.000 0.573 34 G N 0.309 109.137 108.800 0.047 0.000 2.489 34 G HA2 0.288 4.247 3.960 -0.001 0.000 0.305 34 G HA3 0.288 4.247 3.960 -0.001 0.000 0.305 34 G C 0.438 175.433 174.900 0.159 0.000 1.311 34 G CA -0.502 44.658 45.100 0.101 0.000 0.813 34 G HN 0.373 nan 8.290 nan 0.000 0.480 35 N N -0.596 118.246 118.700 0.236 0.000 2.396 35 N HA -0.079 4.661 4.740 -0.001 0.000 0.180 35 N C 2.003 177.740 175.510 0.378 0.000 1.028 35 N CA 0.775 54.068 53.050 0.406 0.000 0.893 35 N CB 0.184 38.932 38.487 0.435 0.000 0.967 35 N HN 0.550 nan 8.380 nan 0.000 0.440 36 Q N 0.518 120.448 119.800 0.216 0.000 2.364 36 Q HA -0.090 4.250 4.340 -0.001 0.000 0.209 36 Q C 0.771 176.800 176.000 0.047 0.000 0.977 36 Q CA 0.931 56.827 55.803 0.155 0.000 0.885 36 Q CB 0.194 28.992 28.738 0.101 0.000 0.941 36 Q HN 0.280 nan 8.270 nan 0.000 0.464 37 D N -1.307 119.064 120.400 -0.048 0.000 2.183 37 D HA -0.137 4.503 4.640 -0.001 0.000 0.203 37 D C 0.988 177.025 176.300 -0.438 0.000 0.969 37 D CA 0.883 54.727 54.000 -0.260 0.000 0.842 37 D CB -0.127 40.453 40.800 -0.368 0.000 0.957 37 D HN 0.388 nan 8.370 nan 0.000 0.484 38 W N -0.378 120.708 121.300 -0.357 0.000 2.539 38 W HA 0.065 4.724 4.660 -0.001 0.000 0.281 38 W C 0.641 176.614 176.519 -0.909 0.000 1.220 38 W CA -0.068 56.780 57.345 -0.829 0.000 1.332 38 W CB 0.247 28.770 29.460 -1.562 0.000 1.095 38 W HN -0.120 nan 8.180 nan 0.000 0.571 39 W N 0.936 122.369 121.300 0.221 0.000 2.433 39 W HA 0.267 4.926 4.660 -0.001 0.000 0.288 39 W C -2.137 174.434 176.519 0.087 0.000 0.986 39 W CA -1.921 55.505 57.345 0.134 0.000 1.680 39 W CB 0.128 29.659 29.460 0.118 0.000 1.615 39 W HN -0.183 nan 8.180 nan 0.000 0.416 40 P HA -0.155 nan 4.420 nan 0.000 0.218 40 P C 0.974 178.345 177.300 0.118 0.000 1.148 40 P CA 1.783 64.941 63.100 0.097 0.000 0.822 40 P CB 0.434 32.154 31.700 0.034 0.000 0.784 41 N N -0.812 117.978 118.700 0.150 0.000 2.235 41 N HA 0.042 4.782 4.740 -0.001 0.000 0.209 41 N C 0.421 176.080 175.510 0.248 0.000 1.122 41 N CA -0.077 53.060 53.050 0.144 0.000 0.845 41 N CB -0.142 38.400 38.487 0.091 0.000 1.004 41 N HN 0.329 nan 8.380 nan 0.000 0.499 42 R N 0.254 120.891 120.500 0.228 0.000 2.734 42 R HA 0.099 4.438 4.340 -0.001 0.000 0.266 42 R C 0.052 176.440 176.300 0.147 0.000 1.044 42 R CA -0.512 55.692 56.100 0.173 0.000 1.128 42 R CB 0.439 30.834 30.300 0.159 0.000 1.010 42 R HN -0.145 nan 8.270 nan 0.000 0.461 43 L N 2.506 123.712 121.223 -0.028 0.000 2.559 43 L HA -0.024 4.315 4.340 -0.001 0.000 0.274 43 L C -0.248 176.599 176.870 -0.040 0.000 1.205 43 L CA 0.746 55.498 54.840 -0.146 0.000 0.907 43 L CB -0.008 41.842 42.059 -0.348 0.000 1.153 43 L HN 0.728 nan 8.230 nan 0.000 0.490 44 N N 4.465 123.168 118.700 0.005 0.000 2.645 44 N HA 0.143 4.882 4.740 -0.001 0.000 0.233 44 N C 0.652 176.139 175.510 -0.039 0.000 1.058 44 N CA -0.063 52.990 53.050 0.004 0.000 0.942 44 N CB 0.246 38.750 38.487 0.029 0.000 1.210 44 N HN 0.712 nan 8.380 nan 0.000 0.512 45 L N 2.115 123.310 121.223 -0.047 0.000 2.456 45 L HA -0.021 4.319 4.340 -0.001 0.000 0.224 45 L C 1.815 178.593 176.870 -0.153 0.000 1.148 45 L CA 0.712 55.519 54.840 -0.056 0.000 0.825 45 L CB -0.043 42.011 42.059 -0.007 0.000 0.937 45 L HN 0.477 nan 8.230 nan 0.000 0.450 46 K N -0.200 120.066 120.400 -0.223 0.000 2.442 46 K HA -0.096 4.223 4.320 -0.001 0.000 0.198 46 K C 1.947 178.294 176.600 -0.422 0.000 1.042 46 K CA 1.125 57.071 56.287 -0.568 0.000 0.958 46 K CB -0.049 32.284 32.500 -0.279 0.000 0.766 46 K HN 0.351 nan 8.250 nan 0.000 0.474 47 V N -1.290 118.509 119.914 -0.191 0.000 2.913 47 V HA -0.107 4.013 4.120 -0.001 0.000 0.260 47 V C 1.347 177.397 176.094 -0.074 0.000 1.098 47 V CA 1.383 63.623 62.300 -0.100 0.000 1.121 47 V CB -0.600 31.199 31.823 -0.039 0.000 0.714 47 V HN 0.201 nan 8.190 nan 0.000 0.487 48 L N 1.675 122.837 121.223 -0.101 0.000 2.667 48 L HA 0.306 4.645 4.340 -0.001 0.000 0.232 48 L C 1.228 178.139 176.870 0.068 0.000 1.138 48 L CA 0.251 55.096 54.840 0.009 0.000 0.921 48 L CB -0.381 41.717 42.059 0.065 0.000 1.180 48 L HN 0.675 nan 8.230 nan 0.000 0.487 49 H N -2.196 116.910 119.070 0.059 0.000 2.779 49 H HA 0.326 4.882 4.556 -0.001 0.000 0.230 49 H C -0.437 174.923 175.328 0.054 0.000 1.365 49 H CA -0.568 55.514 56.048 0.058 0.000 1.086 49 H CB -0.027 29.767 29.762 0.053 0.000 2.038 49 H HN 0.247 nan 8.280 nan 0.000 0.558 50 Q N 1.217 121.065 119.800 0.080 0.000 2.392 50 Q HA 0.018 4.358 4.340 -0.001 0.000 0.262 50 Q C -0.128 175.940 176.000 0.113 0.000 1.003 50 Q CA -0.095 55.752 55.803 0.074 0.000 0.888 50 Q CB 0.618 29.381 28.738 0.042 0.000 1.260 50 Q HN 0.500 nan 8.270 nan 0.000 0.435 51 N N 1.226 119.990 118.700 0.106 0.000 2.669 51 N HA -0.145 4.595 4.740 -0.001 0.000 0.266 51 N C -2.569 173.029 175.510 0.147 0.000 1.024 51 N CA -0.142 52.990 53.050 0.136 0.000 0.766 51 N CB -0.596 37.978 38.487 0.146 0.000 0.898 51 N HN 0.376 nan 8.380 nan 0.000 0.548 52 P HA 0.056 nan 4.420 nan 0.000 0.269 52 P C 0.598 177.949 177.300 0.085 0.000 1.209 52 P CA -0.044 63.119 63.100 0.104 0.000 0.776 52 P CB 0.867 32.613 31.700 0.077 0.000 0.876 53 A N 2.903 125.763 122.820 0.068 0.000 1.940 53 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 53 A C 2.137 179.726 177.584 0.009 0.000 1.176 53 A CA 1.972 54.039 52.037 0.051 0.000 0.631 53 A CB -1.494 17.533 19.000 0.045 0.000 0.814 53 A HN 0.453 nan 8.150 nan 0.000 0.446 54 V N -0.467 119.447 119.914 0.001 0.000 2.594 54 V HA -0.087 4.033 4.120 -0.001 0.000 0.253 54 V C 2.511 178.578 176.094 -0.044 0.000 1.069 54 V CA 2.105 64.391 62.300 -0.024 0.000 1.082 54 V CB -0.539 31.272 31.823 -0.020 0.000 0.680 54 V HN 0.586 nan 8.190 nan 0.000 0.469 55 A N -0.674 122.134 122.820 -0.021 0.000 2.119 55 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 55 A C 1.230 178.726 177.584 -0.147 0.000 1.152 55 A CA 0.801 52.820 52.037 -0.029 0.000 0.708 55 A CB -0.330 18.700 19.000 0.051 0.000 0.805 55 A HN 0.607 nan 8.150 nan 0.000 0.460 56 D N 0.314 120.600 120.400 -0.190 0.000 2.316 56 D HA 0.223 4.863 4.640 -0.001 0.000 0.245 56 D C -1.507 174.475 176.300 -0.529 0.000 1.171 56 D CA -1.971 51.739 54.000 -0.482 0.000 0.856 56 D CB 1.311 42.042 40.800 -0.114 0.000 1.090 56 D HN 0.123 nan 8.370 nan 0.000 0.476 57 P HA -0.036 nan 4.420 nan 0.000 0.236 57 P C 1.198 178.244 177.300 -0.422 0.000 1.177 57 P CA 0.239 63.008 63.100 -0.553 0.000 0.773 57 P CB 0.299 31.616 31.700 -0.639 0.000 0.878 58 M N -0.626 118.700 119.600 -0.457 0.000 2.349 58 M HA 0.204 4.684 4.480 -0.001 0.000 0.266 58 M C 1.241 177.465 176.300 -0.127 0.000 1.076 58 M CA 0.754 55.830 55.300 -0.374 0.000 1.126 58 M CB -1.616 30.624 32.600 -0.600 0.000 1.392 58 M HN 0.051 nan 8.290 nan 0.000 0.440 59 G N -0.477 108.286 108.800 -0.062 0.000 2.699 59 G HA2 0.025 3.985 3.960 -0.001 0.000 0.686 59 G HA3 0.025 3.985 3.960 -0.001 0.000 0.686 59 G C 0.604 175.564 174.900 0.100 0.000 1.301 59 G CA -0.062 45.048 45.100 0.017 0.000 0.816 59 G HN 0.435 nan 8.290 nan 0.000 0.595 60 A N 0.264 123.131 122.820 0.078 0.000 1.940 60 A HA 0.286 4.605 4.320 -0.001 0.000 0.219 60 A C 2.775 180.428 177.584 0.115 0.000 1.176 60 A CA 3.226 55.316 52.037 0.088 0.000 0.631 60 A CB -0.599 18.434 19.000 0.056 0.000 0.814 60 A HN 2.489 nan 8.150 nan 0.000 0.446 61 A N -1.872 121.020 122.820 0.120 0.000 2.218 61 A HA 0.372 4.691 4.320 -0.001 0.000 0.209 61 A C 0.617 178.292 177.584 0.152 0.000 1.168 61 A CA -0.436 51.667 52.037 0.109 0.000 0.804 61 A CB -0.479 18.570 19.000 0.081 0.000 0.834 61 A HN 0.456 nan 8.150 nan 0.000 0.482 62 F N 1.470 121.460 119.950 0.066 0.000 2.608 62 F HA 0.288 4.814 4.527 -0.001 0.000 0.380 62 F C -0.141 175.729 175.800 0.116 0.000 1.083 62 F CA -0.338 57.719 58.000 0.095 0.000 1.266 62 F CB 0.433 39.502 39.000 0.115 0.000 1.076 62 F HN 0.117 nan 8.300 nan 0.000 0.574 63 D N 5.679 125.686 120.400 -0.655 0.000 2.421 63 D HA 0.043 4.683 4.640 -0.001 0.000 0.254 63 D C 0.318 176.211 176.300 -0.679 0.000 1.238 63 D CA -0.409 53.308 54.000 -0.471 0.000 0.919 63 D CB 0.254 40.930 40.800 -0.206 0.000 1.152 63 D HN 0.562 nan 8.370 nan 0.000 0.552 64 Y N 4.124 123.992 120.300 -0.720 0.000 2.165 64 Y HA -0.142 4.407 4.550 -0.001 0.000 0.286 64 Y C 1.926 177.720 175.900 -0.178 0.000 1.155 64 Y CA 2.253 60.115 58.100 -0.396 0.000 1.164 64 Y CB -0.172 38.293 38.460 0.008 0.000 0.978 64 Y HN 0.462 nan 8.280 nan 0.000 0.513 65 A N 0.527 123.203 122.820 -0.240 0.000 1.917 65 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 65 A C 2.460 179.886 177.584 -0.263 0.000 1.182 65 A CA 2.266 54.155 52.037 -0.247 0.000 0.633 65 A CB -1.516 17.434 19.000 -0.083 0.000 0.819 65 A HN 0.615 nan 8.150 nan 0.000 0.448 66 A N -0.839 121.844 122.820 -0.229 0.000 1.969 66 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 66 A C 1.965 179.433 177.584 -0.195 0.000 1.169 66 A CA 1.515 53.444 52.037 -0.180 0.000 0.635 66 A CB -0.297 18.615 19.000 -0.146 0.000 0.810 66 A HN 0.493 nan 8.150 nan 0.000 0.445 67 E N -0.522 119.525 120.200 -0.255 0.000 2.028 67 E HA -0.095 4.254 4.350 -0.001 0.000 0.190 67 E C 2.104 178.564 176.600 -0.234 0.000 0.984 67 E CA 1.289 57.584 56.400 -0.174 0.000 0.800 67 E CB -0.890 28.775 29.700 -0.059 0.000 0.758 67 E HN 0.330 nan 8.360 nan 0.000 0.448 68 V N 1.320 120.960 119.914 -0.456 0.000 2.809 68 V HA -0.066 4.053 4.120 -0.001 0.000 0.256 68 V C 2.042 177.909 176.094 -0.378 0.000 1.080 68 V CA 1.428 63.436 62.300 -0.487 0.000 1.102 68 V CB -0.430 30.933 31.823 -0.765 0.000 0.705 68 V HN 0.241 nan 8.190 nan 0.000 0.475 69 A N -0.028 122.620 122.820 -0.287 0.000 2.178 69 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 69 A C 2.109 179.598 177.584 -0.159 0.000 1.157 69 A CA 1.935 53.855 52.037 -0.195 0.000 0.689 69 A CB -0.628 18.287 19.000 -0.142 0.000 0.787 69 A HN 0.728 nan 8.150 nan 0.000 0.465 70 T N -3.446 111.015 114.554 -0.156 0.000 3.085 70 T HA 0.412 4.762 4.350 -0.001 0.000 0.264 70 T C 0.430 175.072 174.700 -0.097 0.000 1.019 70 T CA -0.336 61.702 62.100 -0.104 0.000 0.910 70 T CB -0.403 68.421 68.868 -0.072 0.000 1.059 70 T HN 0.266 nan 8.240 nan 0.000 0.542 71 I N 2.495 122.968 120.570 -0.161 0.000 2.634 71 I HA 0.154 4.323 4.170 -0.001 0.000 0.284 71 I C -0.204 175.841 176.117 -0.121 0.000 1.124 71 I CA -0.232 60.982 61.300 -0.143 0.000 1.417 71 I CB 0.679 38.494 38.000 -0.309 0.000 1.396 71 I HN 0.069 nan 8.210 nan 0.000 0.571 72 D N 6.507 126.901 120.400 -0.010 0.000 2.402 72 D HA 0.066 4.705 4.640 -0.001 0.000 0.235 72 D C 0.901 177.181 176.300 -0.032 0.000 1.226 72 D CA 0.008 54.014 54.000 0.011 0.000 0.918 72 D CB 1.140 41.995 40.800 0.092 0.000 1.043 72 D HN 0.321 nan 8.370 nan 0.000 0.506 73 V N 3.723 123.592 119.914 -0.075 0.000 2.427 73 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 73 V C 1.705 177.842 176.094 0.071 0.000 1.051 73 V CA 1.355 63.623 62.300 -0.053 0.000 1.048 73 V CB -0.150 31.658 31.823 -0.025 0.000 0.666 73 V HN 0.495 nan 8.190 nan 0.000 0.456 74 D N 0.605 121.045 120.400 0.065 0.000 2.117 74 D HA -0.111 4.528 4.640 -0.001 0.000 0.198 74 D C 2.247 178.599 176.300 0.087 0.000 0.982 74 D CA 1.645 55.693 54.000 0.080 0.000 0.828 74 D CB -0.297 40.538 40.800 0.058 0.000 0.967 74 D HN 0.439 nan 8.370 nan 0.000 0.464 75 A N 0.870 123.747 122.820 0.095 0.000 1.902 75 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 75 A C 2.168 179.857 177.584 0.174 0.000 1.181 75 A CA 0.986 53.108 52.037 0.142 0.000 0.623 75 A CB -0.704 18.405 19.000 0.182 0.000 0.818 75 A HN 0.237 nan 8.150 nan 0.000 0.443 76 L N -0.038 121.230 121.223 0.074 0.000 2.017 76 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 76 L C 2.427 179.343 176.870 0.077 0.000 1.073 76 L CA 2.916 57.689 54.840 -0.113 0.000 0.745 76 L CB -1.183 40.661 42.059 -0.359 0.000 0.894 76 L HN 0.375 nan 8.230 nan 0.000 0.432 77 T N -0.192 114.453 114.554 0.152 0.000 2.684 77 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 77 T C 1.979 176.717 174.700 0.064 0.000 1.036 77 T CA 1.873 64.036 62.100 0.105 0.000 1.148 77 T CB -0.286 68.648 68.868 0.111 0.000 0.863 77 T HN 0.383 nan 8.240 nan 0.000 0.436 78 R N 0.881 121.428 120.500 0.079 0.000 2.096 78 R HA -0.074 4.265 4.340 -0.001 0.000 0.235 78 R C 2.203 178.551 176.300 0.081 0.000 1.127 78 R CA 1.406 57.548 56.100 0.070 0.000 0.968 78 R CB -0.287 30.055 30.300 0.070 0.000 0.861 78 R HN 0.382 nan 8.270 nan 0.000 0.440 79 D N 0.661 121.126 120.400 0.109 0.000 2.144 79 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 79 D C 1.922 178.288 176.300 0.110 0.000 0.978 79 D CA 1.024 55.098 54.000 0.124 0.000 0.833 79 D CB -0.075 40.849 40.800 0.207 0.000 0.961 79 D HN 0.210 nan 8.370 nan 0.000 0.470 80 I N 1.110 121.737 120.570 0.095 0.000 2.252 80 I HA -0.212 3.957 4.170 -0.001 0.000 0.245 80 I C 2.228 178.422 176.117 0.129 0.000 1.102 80 I CA 1.022 62.385 61.300 0.105 0.000 1.385 80 I CB -0.173 37.852 38.000 0.040 0.000 1.064 80 I HN -0.046 nan 8.210 nan 0.000 0.414 81 E N 0.459 120.707 120.200 0.079 0.000 2.118 81 E HA -0.288 4.061 4.350 -0.001 0.000 0.195 81 E C 2.076 178.699 176.600 0.040 0.000 0.992 81 E CA 1.241 57.674 56.400 0.055 0.000 0.804 81 E CB -0.118 29.604 29.700 0.037 0.000 0.741 81 E HN 0.464 nan 8.360 nan 0.000 0.458 82 E N 0.551 120.787 120.200 0.060 0.000 2.072 82 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 82 E C 2.130 178.783 176.600 0.088 0.000 0.985 82 E CA 0.862 57.296 56.400 0.057 0.000 0.801 82 E CB 0.218 29.955 29.700 0.063 0.000 0.750 82 E HN 0.064 nan 8.360 nan 0.000 0.452 83 V N 1.162 121.160 119.914 0.140 0.000 2.343 83 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 83 V C 2.436 178.695 176.094 0.275 0.000 1.051 83 V CA 1.766 64.194 62.300 0.214 0.000 1.036 83 V CB -0.382 31.597 31.823 0.260 0.000 0.654 83 V HN 0.383 nan 8.190 nan 0.000 0.451 84 M N 0.393 120.121 119.600 0.213 0.000 2.213 84 M HA -0.122 4.358 4.480 -0.001 0.000 0.263 84 M C 1.882 178.104 176.300 -0.129 0.000 1.062 84 M CA 2.106 57.466 55.300 0.100 0.000 1.105 84 M CB -0.558 32.057 32.600 0.025 0.000 1.385 84 M HN 0.623 nan 8.290 nan 0.000 0.417 85 T N -4.235 110.227 114.554 -0.153 0.000 3.092 85 T HA 0.131 4.480 4.350 -0.001 0.000 0.258 85 T C 0.396 175.037 174.700 -0.097 0.000 1.031 85 T CA -0.233 61.731 62.100 -0.226 0.000 0.925 85 T CB -0.190 68.537 68.868 -0.234 0.000 1.036 85 T HN 0.019 nan 8.240 nan 0.000 0.544 86 T N 2.531 117.091 114.554 0.010 0.000 3.042 86 T HA 0.455 4.805 4.350 -0.001 0.000 0.356 86 T C -0.005 174.759 174.700 0.107 0.000 1.233 86 T CA -0.410 61.720 62.100 0.050 0.000 1.038 86 T CB 0.962 69.883 68.868 0.088 0.000 1.089 86 T HN 0.310 nan 8.240 nan 0.000 0.531 87 S N 3.689 119.377 115.700 -0.020 0.000 2.552 87 S HA 0.091 4.561 4.470 -0.001 0.000 0.289 87 S C 0.048 174.674 174.600 0.045 0.000 1.304 87 S CA -0.290 57.886 58.200 -0.041 0.000 1.063 87 S CB 0.240 63.370 63.200 -0.117 0.000 0.848 87 S HN 0.450 nan 8.310 nan 0.000 0.499 88 Q N 4.775 124.599 119.800 0.039 0.000 2.282 88 Q HA 0.322 4.662 4.340 -0.001 0.000 0.260 88 Q C -1.625 174.206 176.000 -0.281 0.000 0.964 88 Q CA -2.307 53.365 55.803 -0.218 0.000 0.880 88 Q CB 1.377 29.731 28.738 -0.639 0.000 1.286 88 Q HN 0.488 nan 8.270 nan 0.000 0.445 89 P HA -0.106 nan 4.420 nan 0.000 0.223 89 P C 0.793 178.133 177.300 0.068 0.000 1.151 89 P CA 1.227 64.319 63.100 -0.013 0.000 0.787 89 P CB 0.009 31.762 31.700 0.088 0.000 0.788 90 W N -2.856 118.553 121.300 0.181 0.000 3.047 90 W HA 0.159 4.818 4.660 -0.001 0.000 0.250 90 W C 0.250 177.004 176.519 0.392 0.000 1.314 90 W CA -0.196 57.279 57.345 0.217 0.000 1.540 90 W CB -0.783 28.783 29.460 0.177 0.000 1.127 90 W HN -0.036 nan 8.180 nan 0.000 0.679 91 W N 3.219 124.420 121.300 -0.166 0.000 1.660 91 W HA 0.231 4.891 4.660 -0.001 0.000 0.312 91 W C -2.929 173.593 176.519 0.006 0.000 0.987 91 W CA -1.754 55.564 57.345 -0.045 0.000 1.268 91 W CB 0.610 30.062 29.460 -0.013 0.000 1.360 91 W HN -0.362 nan 8.180 nan 0.000 0.352 92 P HA 0.034 nan 4.420 nan 0.000 0.266 92 P C -0.089 177.211 177.300 0.001 0.000 1.195 92 P CA 0.642 63.706 63.100 -0.060 0.000 0.768 92 P CB 0.823 32.426 31.700 -0.161 0.000 0.838 93 A N 3.030 125.724 122.820 -0.210 0.000 2.354 93 A HA 0.166 4.486 4.320 -0.001 0.000 0.281 93 A C 0.005 177.345 177.584 -0.407 0.000 1.174 93 A CA -0.381 51.308 52.037 -0.579 0.000 0.828 93 A CB -0.430 17.785 19.000 -1.308 0.000 1.099 93 A HN 0.439 nan 8.150 nan 0.000 0.516 94 D N 1.836 122.013 120.400 -0.371 0.000 2.533 94 D HA 0.071 4.710 4.640 -0.001 0.000 0.236 94 D C 0.206 176.214 176.300 -0.487 0.000 1.137 94 D CA 1.175 54.759 54.000 -0.695 0.000 0.867 94 D CB -0.183 40.468 40.800 -0.249 0.000 1.170 94 D HN 0.577 nan 8.370 nan 0.000 0.474 95 Y N -0.065 119.896 120.300 -0.565 0.000 4.236 95 Y HA -0.279 4.271 4.550 -0.001 0.000 0.220 95 Y C 1.565 177.336 175.900 -0.215 0.000 1.115 95 Y CA 0.551 58.465 58.100 -0.310 0.000 1.811 95 Y CB -1.914 36.443 38.460 -0.171 0.000 1.581 95 Y HN 0.747 nan 8.280 nan 0.000 0.643 96 G N -0.357 108.311 108.800 -0.220 0.000 2.225 96 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.267 96 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.267 96 G C -0.349 174.445 174.900 -0.178 0.000 1.024 96 G CA 0.625 45.610 45.100 -0.192 0.000 0.784 96 G HN 0.856 nan 8.290 nan 0.000 0.507 97 H N -1.766 117.141 119.070 -0.271 0.000 3.096 97 H HA 0.350 4.906 4.556 -0.001 0.000 0.335 97 H C 0.137 175.319 175.328 -0.243 0.000 0.990 97 H CA -0.934 54.992 56.048 -0.202 0.000 1.393 97 H CB 0.743 30.470 29.762 -0.058 0.000 1.742 97 H HN 0.053 nan 8.280 nan 0.000 0.501 98 Y N 2.739 123.029 120.300 -0.017 0.000 2.583 98 Y HA 0.016 4.566 4.550 -0.001 0.000 0.293 98 Y C 2.296 177.970 175.900 -0.378 0.000 1.157 98 Y CA 0.920 58.835 58.100 -0.309 0.000 1.315 98 Y CB -0.055 37.989 38.460 -0.694 0.000 1.021 98 Y HN 0.812 nan 8.280 nan 0.000 0.536 99 G N 1.644 110.571 108.800 0.212 0.000 2.631 99 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.219 99 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.219 99 G C -0.445 174.454 174.900 -0.002 0.000 1.214 99 G CA 1.212 46.357 45.100 0.076 0.000 0.785 99 G HN 0.273 nan 8.290 nan 0.000 0.596 100 P HA -0.064 nan 4.420 nan 0.000 0.216 100 P C 2.033 179.456 177.300 0.205 0.000 1.150 100 P CA 0.641 63.805 63.100 0.107 0.000 0.837 100 P CB -0.131 31.694 31.700 0.209 0.000 0.786 101 L N -1.478 119.868 121.223 0.204 0.000 2.042 101 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 101 L C 2.024 179.114 176.870 0.366 0.000 1.076 101 L CA 2.012 57.010 54.840 0.264 0.000 0.749 101 L CB -1.373 40.841 42.059 0.259 0.000 0.893 101 L HN -0.143 nan 8.230 nan 0.000 0.432 102 F N -0.376 119.688 119.950 0.190 0.000 2.234 102 F HA -0.094 4.433 4.527 -0.001 0.000 0.299 102 F C 2.400 178.303 175.800 0.171 0.000 1.087 102 F CA 0.719 58.810 58.000 0.153 0.000 1.340 102 F CB -0.996 38.082 39.000 0.129 0.000 1.031 102 F HN 0.110 nan 8.300 nan 0.000 0.500 103 I N -0.338 120.429 120.570 0.329 0.000 2.202 103 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 103 I C 2.712 179.110 176.117 0.468 0.000 1.091 103 I CA 1.202 62.678 61.300 0.294 0.000 1.368 103 I CB -0.446 37.565 38.000 0.019 0.000 1.058 103 I HN -0.002 nan 8.210 nan 0.000 0.410 104 R N 1.155 121.895 120.500 0.398 0.000 2.081 104 R HA -0.214 4.126 4.340 -0.001 0.000 0.235 104 R C 2.417 178.857 176.300 0.234 0.000 1.131 104 R CA 1.609 57.958 56.100 0.415 0.000 0.960 104 R CB -0.250 30.206 30.300 0.260 0.000 0.856 104 R HN 0.304 nan 8.270 nan 0.000 0.436 105 M N 0.133 119.855 119.600 0.204 0.000 2.065 105 M HA -0.179 4.300 4.480 -0.001 0.000 0.259 105 M C 2.131 178.510 176.300 0.133 0.000 1.069 105 M CA 2.292 57.665 55.300 0.122 0.000 1.110 105 M CB -0.194 32.504 32.600 0.163 0.000 1.328 105 M HN 0.316 nan 8.290 nan 0.000 0.405 106 A N 0.393 123.356 122.820 0.239 0.000 1.898 106 A HA -0.222 4.098 4.320 -0.001 0.000 0.216 106 A C 2.065 179.760 177.584 0.185 0.000 1.181 106 A CA 1.422 53.580 52.037 0.201 0.000 0.620 106 A CB -1.548 17.654 19.000 0.337 0.000 0.819 106 A HN 0.934 nan 8.150 nan 0.000 0.442 107 W N 0.225 121.666 121.300 0.235 0.000 2.358 107 W HA -0.198 4.461 4.660 -0.001 0.000 0.303 107 W C 1.785 178.414 176.519 0.184 0.000 1.208 107 W CA 1.746 59.222 57.345 0.219 0.000 1.274 107 W CB -0.667 29.056 29.460 0.439 0.000 1.138 107 W HN 0.576 nan 8.180 nan 0.000 0.515 108 H N 0.437 119.177 119.070 -0.551 0.000 2.389 108 H HA -0.089 4.467 4.556 -0.001 0.000 0.299 108 H C 2.545 177.587 175.328 -0.477 0.000 1.081 108 H CA 1.248 56.882 56.048 -0.691 0.000 1.345 108 H CB -0.126 29.404 29.762 -0.387 0.000 1.393 108 H HN 0.241 nan 8.280 nan 0.000 0.520 109 A N 1.202 123.917 122.820 -0.174 0.000 1.877 109 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 109 A C 2.541 179.992 177.584 -0.222 0.000 1.186 109 A CA 1.603 53.525 52.037 -0.190 0.000 0.620 109 A CB -0.670 18.256 19.000 -0.123 0.000 0.822 109 A HN 0.442 nan 8.150 nan 0.000 0.443 110 A N -0.972 121.715 122.820 -0.222 0.000 2.072 110 A HA 0.314 4.634 4.320 -0.001 0.000 0.216 110 A C 2.111 179.576 177.584 -0.199 0.000 1.156 110 A CA 1.275 53.187 52.037 -0.209 0.000 0.701 110 A CB -0.838 18.026 19.000 -0.227 0.000 0.816 110 A HN 0.738 nan 8.150 nan 0.000 0.458 111 G N -0.395 108.150 108.800 -0.425 0.000 2.848 111 G HA2 0.062 4.022 3.960 -0.001 0.000 0.208 111 G HA3 0.062 4.022 3.960 -0.001 0.000 0.208 111 G C 1.253 175.833 174.900 -0.534 0.000 1.152 111 G CA 1.327 46.038 45.100 -0.648 0.000 0.789 111 G HN 0.599 nan 8.290 nan 0.000 0.531 112 T N -3.024 111.350 114.554 -0.300 0.000 3.100 112 T HA 0.123 4.473 4.350 -0.001 0.000 0.253 112 T C 0.838 175.617 174.700 0.131 0.000 1.118 112 T CA -0.578 61.449 62.100 -0.121 0.000 1.058 112 T CB -0.246 68.492 68.868 -0.217 0.000 0.953 112 T HN 0.169 nan 8.240 nan 0.000 0.515 113 Y N 4.389 124.677 120.300 -0.020 0.000 2.597 113 Y HA 0.312 4.862 4.550 -0.001 0.000 0.336 113 Y C 0.478 176.421 175.900 0.072 0.000 1.216 113 Y CA -0.943 57.170 58.100 0.022 0.000 1.463 113 Y CB 0.522 38.964 38.460 -0.031 0.000 1.303 113 Y HN 0.261 nan 8.280 nan 0.000 0.576 114 R N 7.273 127.351 120.500 -0.703 0.000 2.673 114 R HA 0.293 4.633 4.340 -0.001 0.000 0.281 114 R C 0.114 175.959 176.300 -0.757 0.000 0.991 114 R CA -0.261 55.516 56.100 -0.537 0.000 0.896 114 R CB 0.583 30.791 30.300 -0.153 0.000 1.201 114 R HN 0.923 nan 8.270 nan 0.000 0.457 115 I N -1.102 119.219 120.570 -0.416 0.000 2.546 115 I HA -0.079 4.090 4.170 -0.001 0.000 0.255 115 I C 1.849 177.888 176.117 -0.131 0.000 1.163 115 I CA 1.035 62.193 61.300 -0.237 0.000 1.457 115 I CB -0.462 37.522 38.000 -0.027 0.000 1.092 115 I HN 0.756 nan 8.210 nan 0.000 0.434 116 H N 2.371 121.345 119.070 -0.159 0.000 2.352 116 H HA -0.199 4.357 4.556 -0.001 0.000 0.299 116 H C 1.531 176.786 175.328 -0.121 0.000 1.097 116 H CA 2.499 58.480 56.048 -0.111 0.000 1.311 116 H CB 0.108 29.819 29.762 -0.085 0.000 1.377 116 H HN 0.699 nan 8.280 nan 0.000 0.504 117 D N -2.765 117.593 120.400 -0.069 0.000 2.500 117 D HA 0.138 4.778 4.640 -0.001 0.000 0.217 117 D C 1.559 177.779 176.300 -0.134 0.000 1.159 117 D CA 0.653 54.589 54.000 -0.105 0.000 0.828 117 D CB -0.135 40.636 40.800 -0.049 0.000 1.039 117 D HN 0.465 nan 8.370 nan 0.000 0.512 118 G N 0.967 109.649 108.800 -0.198 0.000 2.168 118 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.263 118 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.263 118 G C 0.373 175.229 174.900 -0.073 0.000 0.977 118 G CA 0.304 45.316 45.100 -0.146 0.000 0.659 118 G HN 0.451 nan 8.290 nan 0.000 0.533 119 R N 0.140 120.559 120.500 -0.136 0.000 2.649 119 R HA 0.541 4.880 4.340 -0.001 0.000 0.270 119 R C 1.137 177.427 176.300 -0.016 0.000 1.105 119 R CA 0.483 56.534 56.100 -0.082 0.000 1.193 119 R CB 0.394 30.592 30.300 -0.170 0.000 1.120 119 R HN 1.446 nan 8.270 nan 0.000 0.561 120 G N -0.657 108.197 108.800 0.090 0.000 2.760 120 G HA2 0.186 4.146 3.960 -0.001 0.000 0.246 120 G HA3 0.186 4.146 3.960 -0.001 0.000 0.246 120 G C 0.018 175.037 174.900 0.198 0.000 1.359 120 G CA -0.390 44.857 45.100 0.246 0.000 0.861 120 G HN 1.148 nan 8.290 nan 0.000 0.541 121 G N -2.620 106.257 108.800 0.129 0.000 2.655 121 G HA2 0.466 4.425 3.960 -0.001 0.000 0.680 121 G HA3 0.466 4.425 3.960 -0.001 0.000 0.680 121 G C 0.885 175.742 174.900 -0.071 0.000 1.302 121 G CA 0.983 46.100 45.100 0.028 0.000 0.872 121 G HN 2.477 nan 8.290 nan 0.000 0.540 122 A N -0.306 122.429 122.820 -0.141 0.000 2.178 122 A HA 0.507 4.827 4.320 -0.001 0.000 0.211 122 A C 2.670 180.172 177.584 -0.137 0.000 1.157 122 A CA 1.720 53.663 52.037 -0.156 0.000 0.780 122 A CB -0.593 18.286 19.000 -0.201 0.000 0.828 122 A HN 2.396 nan 8.150 nan 0.000 0.476 123 G N 0.159 108.881 108.800 -0.129 0.000 2.507 123 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.221 123 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.221 123 G C 1.180 176.032 174.900 -0.081 0.000 1.119 123 G CA 1.267 46.298 45.100 -0.114 0.000 0.751 123 G HN 0.823 nan 8.290 nan 0.000 0.574 124 G N -1.298 107.463 108.800 -0.065 0.000 3.519 124 G HA2 0.435 4.394 3.960 -0.001 0.000 0.269 124 G HA3 0.435 4.394 3.960 -0.001 0.000 0.269 124 G C 0.992 175.838 174.900 -0.089 0.000 1.028 124 G CA 0.431 45.495 45.100 -0.061 0.000 0.809 124 G HN 1.300 nan 8.290 nan 0.000 0.521 125 G N 0.982 109.718 108.800 -0.107 0.000 2.273 125 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.280 125 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.280 125 G C 1.163 175.931 174.900 -0.221 0.000 1.047 125 G CA 0.545 45.554 45.100 -0.152 0.000 0.869 125 G HN 0.216 nan 8.290 nan 0.000 0.502 126 M N -0.515 119.003 119.600 -0.138 0.000 2.549 126 M HA -0.007 4.472 4.480 -0.001 0.000 0.260 126 M C 2.249 178.429 176.300 -0.200 0.000 1.076 126 M CA 1.421 56.671 55.300 -0.083 0.000 1.090 126 M CB -0.599 32.001 32.600 0.000 0.000 1.418 126 M HN 0.643 nan 8.290 nan 0.000 0.486 127 Q N 1.094 120.730 119.800 -0.273 0.000 2.364 127 Q HA -0.155 4.184 4.340 -0.001 0.000 0.207 127 Q C 1.885 177.674 176.000 -0.353 0.000 0.970 127 Q CA 0.975 56.591 55.803 -0.311 0.000 0.888 127 Q CB 0.095 28.675 28.738 -0.262 0.000 0.951 127 Q HN 0.599 nan 8.270 nan 0.000 0.469 128 R N -1.279 118.914 120.500 -0.512 0.000 2.275 128 R HA 0.052 4.392 4.340 -0.001 0.000 0.199 128 R C -0.318 175.614 176.300 -0.614 0.000 0.989 128 R CA 0.128 55.810 56.100 -0.697 0.000 1.016 128 R CB 0.174 29.857 30.300 -1.030 0.000 0.918 128 R HN -0.038 nan 8.270 nan 0.000 0.473 129 F N 0.903 120.724 119.950 -0.214 0.000 2.594 129 F HA 0.598 5.125 4.527 -0.001 0.000 0.335 129 F C 0.522 176.233 175.800 -0.148 0.000 1.058 129 F CA -2.023 55.881 58.000 -0.160 0.000 0.981 129 F CB 0.928 39.855 39.000 -0.122 0.000 1.289 129 F HN -0.048 nan 8.300 nan 0.000 0.490 130 A N 1.968 124.870 122.820 0.136 0.000 2.425 130 A HA 0.406 4.726 4.320 -0.001 0.000 0.242 130 A C -1.755 175.875 177.584 0.077 0.000 1.077 130 A CA -0.821 51.254 52.037 0.063 0.000 0.781 130 A CB -0.359 18.684 19.000 0.072 0.000 1.020 130 A HN 0.577 nan 8.150 nan 0.000 0.494 131 P HA 0.051 nan 4.420 nan 0.000 0.245 131 P C 1.170 178.353 177.300 -0.195 0.000 1.203 131 P CA 0.398 63.557 63.100 0.098 0.000 0.792 131 P CB 0.093 32.004 31.700 0.352 0.000 0.997 132 L N 1.128 122.042 121.223 -0.515 0.000 2.131 132 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 132 L C 2.350 178.935 176.870 -0.475 0.000 1.092 132 L CA 1.939 56.212 54.840 -0.944 0.000 0.759 132 L CB -1.239 40.293 42.059 -0.878 0.000 0.903 132 L HN 0.177 nan 8.230 nan 0.000 0.435 133 N N -1.408 117.138 118.700 -0.257 0.000 2.573 133 N HA -0.126 4.614 4.740 -0.001 0.000 0.187 133 N C 1.128 176.621 175.510 -0.029 0.000 1.107 133 N CA 0.896 53.860 53.050 -0.144 0.000 0.918 133 N CB 0.041 38.428 38.487 -0.167 0.000 0.966 133 N HN 0.125 nan 8.380 nan 0.000 0.448 134 S N -1.128 114.549 115.700 -0.038 0.000 2.733 134 S HA 0.122 4.591 4.470 -0.001 0.000 0.247 134 S C -0.557 174.046 174.600 0.005 0.000 1.043 134 S CA -0.794 57.379 58.200 -0.045 0.000 1.066 134 S CB 0.097 63.209 63.200 -0.146 0.000 1.045 134 S HN 0.282 nan 8.310 nan 0.000 0.586 135 W N 3.396 124.522 121.300 -0.289 0.000 2.231 135 W HA 0.194 4.853 4.660 -0.001 0.000 0.341 135 W C -1.966 174.360 176.519 -0.321 0.000 1.298 135 W CA -1.746 55.286 57.345 -0.521 0.000 1.266 135 W CB -0.330 28.917 29.460 -0.356 0.000 1.172 135 W HN 0.108 nan 8.180 nan 0.000 0.568 136 P HA -0.232 nan 4.420 nan 0.000 0.216 136 P C 1.244 178.453 177.300 -0.152 0.000 1.153 136 P CA 1.942 64.932 63.100 -0.183 0.000 0.858 136 P CB 0.312 31.903 31.700 -0.181 0.000 0.789 137 D N -1.692 118.673 120.400 -0.057 0.000 2.310 137 D HA -0.072 4.567 4.640 -0.001 0.000 0.212 137 D C 0.917 177.299 176.300 0.137 0.000 0.965 137 D CA 0.761 54.791 54.000 0.050 0.000 0.879 137 D CB -0.567 40.249 40.800 0.027 0.000 0.921 137 D HN 0.053 nan 8.370 nan 0.000 0.510 138 N N 0.159 118.892 118.700 0.055 0.000 2.276 138 N HA 0.155 4.894 4.740 -0.001 0.000 0.212 138 N C -0.213 175.093 175.510 -0.341 0.000 1.127 138 N CA -0.079 52.970 53.050 -0.001 0.000 0.834 138 N CB 0.332 38.851 38.487 0.053 0.000 1.014 138 N HN 0.009 nan 8.380 nan 0.000 0.491 139 A N 0.116 122.454 122.820 -0.803 0.000 2.561 139 A HA 0.231 4.551 4.320 -0.001 0.000 0.234 139 A C 1.212 178.327 177.584 -0.782 0.000 1.055 139 A CA 0.513 51.547 52.037 -1.672 0.000 0.756 139 A CB 0.074 18.216 19.000 -1.429 0.000 0.986 139 A HN 0.335 nan 8.150 nan 0.000 0.505 140 S N -0.057 115.266 115.700 -0.628 0.000 2.608 140 S HA -0.198 4.271 4.470 -0.001 0.000 0.256 140 S C 1.002 175.457 174.600 -0.241 0.000 1.270 140 S CA 1.460 59.446 58.200 -0.356 0.000 1.465 140 S CB -1.875 61.225 63.200 -0.166 0.000 1.833 140 S HN 0.716 nan 8.310 nan 0.000 0.641 141 L N 1.926 123.059 121.223 -0.151 0.000 2.465 141 L HA -0.078 4.262 4.340 -0.001 0.000 0.224 141 L C 2.362 179.204 176.870 -0.047 0.000 1.145 141 L CA 1.317 56.115 54.840 -0.069 0.000 0.834 141 L CB -0.571 41.446 42.059 -0.072 0.000 0.944 141 L HN 0.505 nan 8.230 nan 0.000 0.451 142 D N 0.612 121.013 120.400 0.003 0.000 2.117 142 D HA -0.233 4.407 4.640 -0.001 0.000 0.197 142 D C 1.832 178.081 176.300 -0.085 0.000 0.987 142 D CA 1.332 55.311 54.000 -0.036 0.000 0.829 142 D CB -0.122 40.692 40.800 0.024 0.000 0.961 142 D HN 0.187 nan 8.370 nan 0.000 0.460 143 K N 0.649 120.948 120.400 -0.169 0.000 2.103 143 K HA 0.122 4.442 4.320 -0.001 0.000 0.204 143 K C 2.353 178.967 176.600 0.023 0.000 1.052 143 K CA 1.152 57.367 56.287 -0.121 0.000 0.945 143 K CB -0.226 31.872 32.500 -0.670 0.000 0.722 143 K HN 0.183 nan 8.250 nan 0.000 0.443 144 A N 1.563 124.380 122.820 -0.006 0.000 1.865 144 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 144 A C 2.038 179.735 177.584 0.189 0.000 1.191 144 A CA 1.681 53.839 52.037 0.201 0.000 0.623 144 A CB -0.465 18.672 19.000 0.227 0.000 0.826 144 A HN 0.207 nan 8.150 nan 0.000 0.444 145 R N -1.488 119.049 120.500 0.062 0.000 2.092 145 R HA -0.103 4.237 4.340 -0.001 0.000 0.231 145 R C 2.432 178.833 176.300 0.168 0.000 1.119 145 R CA 1.405 57.528 56.100 0.038 0.000 0.970 145 R CB -0.271 29.918 30.300 -0.185 0.000 0.864 145 R HN 0.408 nan 8.270 nan 0.000 0.440 146 R N 1.427 122.013 120.500 0.144 0.000 2.096 146 R HA -0.065 4.274 4.340 -0.001 0.000 0.235 146 R C 1.984 178.566 176.300 0.469 0.000 1.127 146 R CA 1.313 57.562 56.100 0.249 0.000 0.968 146 R CB -0.697 29.670 30.300 0.112 0.000 0.861 146 R HN 0.193 nan 8.270 nan 0.000 0.440 147 L N -0.166 121.333 121.223 0.460 0.000 2.187 147 L HA -0.155 4.185 4.340 -0.001 0.000 0.213 147 L C 1.702 178.776 176.870 0.341 0.000 1.100 147 L CA 0.991 56.056 54.840 0.375 0.000 0.765 147 L CB -0.232 41.894 42.059 0.112 0.000 0.904 147 L HN 0.206 nan 8.230 nan 0.000 0.437 148 L N -1.784 119.636 121.223 0.329 0.000 2.592 148 L HA -0.071 4.269 4.340 -0.001 0.000 0.227 148 L C 2.050 179.079 176.870 0.265 0.000 1.127 148 L CA -0.087 54.886 54.840 0.223 0.000 0.884 148 L CB -0.312 41.794 42.059 0.079 0.000 1.065 148 L HN 0.463 nan 8.230 nan 0.000 0.457 149 W N 3.056 124.535 121.300 0.298 0.000 2.318 149 W HA -0.193 4.466 4.660 -0.001 0.000 0.313 149 W C -0.988 175.596 176.519 0.109 0.000 1.221 149 W CA 1.379 58.873 57.345 0.248 0.000 1.266 149 W CB -1.185 28.451 29.460 0.294 0.000 1.150 149 W HN 0.120 nan 8.180 nan 0.000 0.496 150 P HA -0.225 nan 4.420 nan 0.000 0.217 150 P C 1.806 178.939 177.300 -0.279 0.000 1.151 150 P CA 2.271 65.187 63.100 -0.306 0.000 0.849 150 P CB -0.271 31.410 31.700 -0.032 0.000 0.787 151 V N -0.170 119.659 119.914 -0.143 0.000 2.283 151 V HA -0.210 3.909 4.120 -0.001 0.000 0.243 151 V C 2.479 178.504 176.094 -0.114 0.000 1.039 151 V CA 1.889 64.166 62.300 -0.040 0.000 1.016 151 V CB -1.009 30.809 31.823 -0.008 0.000 0.650 151 V HN 0.050 nan 8.190 nan 0.000 0.449 152 K N 1.036 121.232 120.400 -0.340 0.000 2.063 152 K HA -0.232 4.087 4.320 -0.001 0.000 0.208 152 K C 2.162 178.492 176.600 -0.450 0.000 1.048 152 K CA 1.889 57.912 56.287 -0.440 0.000 0.928 152 K CB -0.411 31.645 32.500 -0.741 0.000 0.713 152 K HN 0.366 nan 8.250 nan 0.000 0.442 153 K N 0.500 120.327 120.400 -0.955 0.000 2.074 153 K HA -0.236 4.084 4.320 -0.001 0.000 0.209 153 K C 2.106 178.449 176.600 -0.428 0.000 1.048 153 K CA 1.935 57.629 56.287 -0.989 0.000 0.926 153 K CB -0.133 31.532 32.500 -1.392 0.000 0.713 153 K HN 0.126 nan 8.250 nan 0.000 0.444 154 K N -0.871 119.319 120.400 -0.350 0.000 2.103 154 K HA -0.125 4.194 4.320 -0.001 0.000 0.204 154 K C 1.558 177.908 176.600 -0.417 0.000 1.052 154 K CA 1.324 57.400 56.287 -0.352 0.000 0.945 154 K CB 0.036 32.310 32.500 -0.375 0.000 0.722 154 K HN 0.198 nan 8.250 nan 0.000 0.443 155 Y N -0.254 119.960 120.300 -0.143 0.000 2.509 155 Y HA 0.180 4.729 4.550 -0.001 0.000 0.270 155 Y C 1.566 177.440 175.900 -0.042 0.000 1.103 155 Y CA 0.391 58.441 58.100 -0.084 0.000 1.278 155 Y CB 0.291 38.703 38.460 -0.081 0.000 1.087 155 Y HN 0.322 nan 8.280 nan 0.000 0.542 156 G N 1.149 109.982 108.800 0.054 0.000 2.622 156 G HA2 -0.437 3.522 3.960 -0.001 0.000 0.307 156 G HA3 -0.437 3.522 3.960 -0.001 0.000 0.307 156 G C 1.246 176.240 174.900 0.157 0.000 1.226 156 G CA 0.848 45.994 45.100 0.076 0.000 0.997 156 G HN 0.331 nan 8.290 nan 0.000 0.551 157 K N 0.766 121.284 120.400 0.197 0.000 2.209 157 K HA -0.033 4.286 4.320 -0.001 0.000 0.204 157 K C 2.333 179.199 176.600 0.444 0.000 1.048 157 K CA 1.424 57.914 56.287 0.338 0.000 0.940 157 K CB -0.144 32.583 32.500 0.377 0.000 0.729 157 K HN 0.440 nan 8.250 nan 0.000 0.451 158 K N 0.486 121.056 120.400 0.284 0.000 2.486 158 K HA 0.002 4.321 4.320 -0.001 0.000 0.194 158 K C -0.019 176.728 176.600 0.246 0.000 1.033 158 K CA 0.289 56.696 56.287 0.200 0.000 1.004 158 K CB 0.127 32.693 32.500 0.109 0.000 0.798 158 K HN -0.028 nan 8.250 nan 0.000 0.495 159 L N 0.534 121.958 121.223 0.335 0.000 2.482 159 L HA 0.152 4.491 4.340 -0.001 0.000 0.269 159 L C -0.533 176.440 176.870 0.171 0.000 0.967 159 L CA -0.462 54.546 54.840 0.280 0.000 0.851 159 L CB 1.800 43.901 42.059 0.069 0.000 1.242 159 L HN -0.030 nan 8.230 nan 0.000 0.404 160 S N 2.251 118.025 115.700 0.123 0.000 2.592 160 S HA 0.200 4.669 4.470 -0.001 0.000 0.271 160 S C 0.821 175.395 174.600 -0.043 0.000 1.326 160 S CA -0.280 57.840 58.200 -0.133 0.000 1.024 160 S CB 0.527 63.462 63.200 -0.443 0.000 0.921 160 S HN 0.773 nan 8.310 nan 0.000 0.527 161 W N 1.374 122.630 121.300 -0.073 0.000 2.342 161 W HA -0.085 4.575 4.660 -0.001 0.000 0.297 161 W C 2.729 179.190 176.519 -0.097 0.000 1.213 161 W CA 1.237 58.535 57.345 -0.078 0.000 1.251 161 W CB -0.573 28.796 29.460 -0.152 0.000 1.136 161 W HN 0.945 nan 8.180 nan 0.000 0.526 162 A N 0.292 123.167 122.820 0.091 0.000 1.865 162 A HA -0.267 4.052 4.320 -0.001 0.000 0.217 162 A C 1.699 179.310 177.584 0.046 0.000 1.191 162 A CA 2.316 54.359 52.037 0.009 0.000 0.623 162 A CB -0.995 17.966 19.000 -0.065 0.000 0.826 162 A HN 0.170 nan 8.150 nan 0.000 0.444 163 D N -0.686 119.773 120.400 0.098 0.000 2.117 163 D HA -0.111 4.528 4.640 -0.001 0.000 0.197 163 D C 1.859 178.286 176.300 0.212 0.000 0.987 163 D CA 1.258 55.377 54.000 0.197 0.000 0.829 163 D CB -0.403 40.635 40.800 0.396 0.000 0.961 163 D HN 0.315 nan 8.370 nan 0.000 0.460 164 L N 0.799 122.118 121.223 0.159 0.000 2.046 164 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 164 L C 2.096 179.020 176.870 0.091 0.000 1.077 164 L CA 1.305 56.213 54.840 0.114 0.000 0.747 164 L CB -0.576 41.463 42.059 -0.033 0.000 0.896 164 L HN 0.000 nan 8.230 nan 0.000 0.432 165 I N -0.833 119.803 120.570 0.109 0.000 2.163 165 I HA -0.293 3.876 4.170 -0.001 0.000 0.243 165 I C 2.328 178.471 176.117 0.043 0.000 1.085 165 I CA 1.767 63.100 61.300 0.055 0.000 1.347 165 I CB -0.452 37.577 38.000 0.047 0.000 1.044 165 I HN 0.332 nan 8.210 nan 0.000 0.408 166 V N -2.745 117.216 119.914 0.077 0.000 2.788 166 V HA -0.147 3.973 4.120 -0.001 0.000 0.251 166 V C 2.310 178.495 176.094 0.153 0.000 1.068 166 V CA 0.899 63.264 62.300 0.109 0.000 1.090 166 V CB -1.055 30.787 31.823 0.032 0.000 0.710 166 V HN 0.281 nan 8.190 nan 0.000 0.467 167 F N 2.405 122.265 119.950 -0.150 0.000 2.186 167 F HA 0.152 4.678 4.527 -0.001 0.000 0.299 167 F C 2.426 178.080 175.800 -0.244 0.000 1.090 167 F CA 0.951 58.614 58.000 -0.561 0.000 1.307 167 F CB -0.676 37.897 39.000 -0.712 0.000 1.019 167 F HN 0.195 nan 8.300 nan 0.000 0.489 168 A N 0.243 122.979 122.820 -0.140 0.000 1.908 168 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 168 A C 2.563 180.137 177.584 -0.017 0.000 1.181 168 A CA 1.809 53.748 52.037 -0.163 0.000 0.627 168 A CB -1.775 17.024 19.000 -0.334 0.000 0.818 168 A HN 0.472 nan 8.150 nan 0.000 0.445 169 G N -0.262 108.599 108.800 0.102 0.000 2.446 169 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.217 169 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.217 169 G C 1.509 176.501 174.900 0.153 0.000 1.168 169 G CA 1.392 46.653 45.100 0.268 0.000 0.771 169 G HN 0.612 nan 8.290 nan 0.000 0.551 170 N N -0.651 118.136 118.700 0.146 0.000 2.120 170 N HA -0.109 4.630 4.740 -0.001 0.000 0.188 170 N C 2.132 177.507 175.510 -0.225 0.000 1.024 170 N CA 1.458 54.536 53.050 0.046 0.000 0.852 170 N CB -0.370 38.140 38.487 0.038 0.000 1.003 170 N HN 0.294 nan 8.380 nan 0.000 0.424 171 C N -0.165 118.874 119.300 -0.434 0.000 2.425 171 C HA 0.053 4.513 4.460 -0.001 0.000 0.277 171 C C 2.773 177.675 174.990 -0.146 0.000 1.280 171 C CA 0.643 59.442 59.018 -0.365 0.000 1.744 171 C CB -1.460 26.006 27.740 -0.457 0.000 1.989 171 C HN 0.571 nan 8.230 nan 0.000 0.491 172 A N 0.596 123.368 122.820 -0.081 0.000 1.883 172 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 172 A C 2.110 179.567 177.584 -0.212 0.000 1.186 172 A CA 1.583 53.591 52.037 -0.048 0.000 0.624 172 A CB -0.680 18.323 19.000 0.004 0.000 0.822 172 A HN 0.599 nan 8.150 nan 0.000 0.444 173 L N -0.554 120.481 121.223 -0.313 0.000 2.012 173 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 173 L C 2.753 179.561 176.870 -0.104 0.000 1.073 173 L CA 1.653 56.284 54.840 -0.349 0.000 0.748 173 L CB -0.643 41.186 42.059 -0.384 0.000 0.891 173 L HN 0.432 nan 8.230 nan 0.000 0.431 174 E N -0.582 119.565 120.200 -0.088 0.000 2.077 174 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 174 E C 2.336 178.934 176.600 -0.002 0.000 0.989 174 E CA 1.471 57.842 56.400 -0.048 0.000 0.800 174 E CB -0.229 29.428 29.700 -0.072 0.000 0.746 174 E HN 0.328 nan 8.360 nan 0.000 0.452 175 S N 0.079 115.781 115.700 0.004 0.000 2.419 175 S HA -0.085 4.385 4.470 -0.001 0.000 0.233 175 S C 1.695 176.358 174.600 0.106 0.000 1.016 175 S CA 0.888 59.133 58.200 0.074 0.000 0.974 175 S CB -0.012 63.270 63.200 0.137 0.000 0.786 175 S HN 0.164 nan 8.310 nan 0.000 0.492 176 M N -0.016 119.624 119.600 0.067 0.000 2.404 176 M HA 0.295 4.774 4.480 -0.001 0.000 0.271 176 M C 1.113 177.578 176.300 0.275 0.000 1.128 176 M CA 0.445 55.826 55.300 0.135 0.000 0.982 176 M CB 0.988 33.635 32.600 0.078 0.000 1.445 176 M HN 0.456 nan 8.290 nan 0.000 0.495 177 G N 1.204 110.129 108.800 0.209 0.000 2.163 177 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.213 177 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.213 177 G C -0.400 174.627 174.900 0.212 0.000 0.991 177 G CA -0.654 44.582 45.100 0.226 0.000 0.653 177 G HN 0.427 nan 8.290 nan 0.000 0.518 178 F N 1.848 121.771 119.950 -0.046 0.000 2.388 178 F HA 0.719 5.246 4.527 -0.001 0.000 0.358 178 F C 0.332 175.981 175.800 -0.253 0.000 1.122 178 F CA -1.709 56.095 58.000 -0.327 0.000 1.056 178 F CB 1.354 40.062 39.000 -0.487 0.000 1.155 178 F HN 0.017 nan 8.300 nan 0.000 0.461 179 K N 4.918 124.812 120.400 -0.842 0.000 2.316 179 K HA 0.263 4.583 4.320 -0.001 0.000 0.289 179 K C -0.051 176.066 176.600 -0.805 0.000 1.070 179 K CA -0.213 55.711 56.287 -0.604 0.000 0.928 179 K CB 0.345 32.599 32.500 -0.409 0.000 1.039 179 K HN 0.722 nan 8.250 nan 0.000 0.480 180 T N 1.273 115.609 114.554 -0.364 0.000 2.816 180 T HA 0.167 4.516 4.350 -0.001 0.000 0.282 180 T C 0.857 175.557 174.700 -0.000 0.000 0.993 180 T CA -0.596 61.439 62.100 -0.108 0.000 0.994 180 T CB 0.526 69.484 68.868 0.151 0.000 1.025 180 T HN 0.527 nan 8.240 nan 0.000 0.529 181 F N 1.022 120.960 119.950 -0.019 0.000 2.325 181 F HA 0.376 4.902 4.527 -0.001 0.000 0.299 181 F C 1.229 176.955 175.800 -0.124 0.000 1.090 181 F CA 1.315 59.246 58.000 -0.115 0.000 1.392 181 F CB -0.409 38.486 39.000 -0.175 0.000 1.053 181 F HN 1.199 nan 8.300 nan 0.000 0.521 182 G N -0.957 107.940 108.800 0.161 0.000 2.369 182 G HA2 0.289 4.248 3.960 -0.001 0.000 0.293 182 G HA3 0.289 4.248 3.960 -0.001 0.000 0.293 182 G C -2.091 173.202 174.900 0.656 0.000 1.301 182 G CA -0.547 44.678 45.100 0.208 0.000 0.913 182 G HN 0.197 nan 8.290 nan 0.000 0.540 183 F N 0.029 120.226 119.950 0.412 0.000 2.639 183 F HA 0.630 5.157 4.527 -0.001 0.000 0.320 183 F C -0.015 175.952 175.800 0.277 0.000 1.128 183 F CA 0.266 58.520 58.000 0.423 0.000 1.037 183 F CB 1.911 41.112 39.000 0.335 0.000 1.288 183 F HN 1.104 nan 8.300 nan 0.000 0.463 184 G N 4.701 113.263 108.800 -0.397 0.000 2.417 184 G HA2 0.545 4.504 3.960 -0.001 0.000 0.320 184 G HA3 0.545 4.504 3.960 -0.001 0.000 0.320 184 G C -1.420 173.036 174.900 -0.740 0.000 1.204 184 G CA -0.425 44.483 45.100 -0.321 0.000 0.923 184 G HN 0.471 nan 8.290 nan 0.000 0.466 185 F N 0.540 120.367 119.950 -0.205 0.000 2.362 185 F HA 0.584 5.110 4.527 -0.001 0.000 0.311 185 F C 1.488 177.228 175.800 -0.100 0.000 1.161 185 F CA 0.922 58.865 58.000 -0.094 0.000 1.085 185 F CB 1.772 40.760 39.000 -0.019 0.000 1.311 185 F HN 0.726 nan 8.300 nan 0.000 0.524 186 G N 0.344 109.299 108.800 0.258 0.000 2.227 186 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.168 186 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.168 186 G C -0.155 174.890 174.900 0.241 0.000 1.006 186 G CA -0.884 44.343 45.100 0.212 0.000 0.684 186 G HN 0.502 nan 8.290 nan 0.000 0.489 187 R N 0.852 121.451 120.500 0.165 0.000 2.351 187 R HA 0.446 4.785 4.340 -0.001 0.000 0.318 187 R C 0.267 176.560 176.300 -0.011 0.000 1.055 187 R CA -0.183 55.938 56.100 0.034 0.000 0.968 187 R CB 1.332 31.599 30.300 -0.055 0.000 0.974 187 R HN 0.087 nan 8.270 nan 0.000 0.439 188 V N 3.672 123.571 119.914 -0.025 0.000 2.498 188 V HA 0.019 4.138 4.120 -0.001 0.000 0.279 188 V C 0.445 176.436 176.094 -0.171 0.000 1.048 188 V CA -0.407 61.824 62.300 -0.116 0.000 0.967 188 V CB 1.176 33.043 31.823 0.074 0.000 0.988 188 V HN 0.634 nan 8.190 nan 0.000 0.473 189 D N 3.485 123.718 120.400 -0.279 0.000 2.382 189 D HA 0.314 4.953 4.640 -0.001 0.000 0.245 189 D C 0.084 176.069 176.300 -0.526 0.000 1.120 189 D CA 0.196 53.967 54.000 -0.382 0.000 0.890 189 D CB 1.024 41.533 40.800 -0.485 0.000 1.201 189 D HN 0.600 nan 8.370 nan 0.000 0.433 190 Q N 0.799 120.276 119.800 -0.538 0.000 2.333 190 Q HA 0.439 4.779 4.340 -0.001 0.000 0.266 190 Q C 0.065 175.644 176.000 -0.703 0.000 1.053 190 Q CA -0.699 54.791 55.803 -0.522 0.000 0.890 190 Q CB 1.786 30.460 28.738 -0.107 0.000 1.337 190 Q HN 0.558 nan 8.270 nan 0.000 0.474 191 W N -0.192 121.163 121.300 0.091 0.000 2.725 191 W HA 0.157 4.816 4.660 -0.001 0.000 0.336 191 W C 0.128 176.435 176.519 -0.353 0.000 1.012 191 W CA -0.271 57.072 57.345 -0.004 0.000 1.566 191 W CB 1.008 30.476 29.460 0.013 0.000 1.068 191 W HN 0.540 nan 8.180 nan 0.000 0.546 192 E N 0.848 120.869 120.200 -0.298 0.000 2.367 192 E HA 0.396 4.745 4.350 -0.001 0.000 0.273 192 E C -2.733 173.585 176.600 -0.470 0.000 0.903 192 E CA -2.589 53.510 56.400 -0.501 0.000 0.764 192 E CB 2.217 31.810 29.700 -0.178 0.000 1.252 192 E HN -0.356 nan 8.360 nan 0.000 0.446 193 P HA 0.011 nan 4.420 nan 0.000 0.268 193 P C -0.581 176.710 177.300 -0.015 0.000 1.204 193 P CA -0.009 63.028 63.100 -0.105 0.000 0.768 193 P CB 0.547 32.234 31.700 -0.022 0.000 0.842 194 D N 2.429 122.857 120.400 0.046 0.000 2.434 194 D HA -0.015 4.625 4.640 -0.001 0.000 0.252 194 D C -0.232 176.100 176.300 0.054 0.000 1.185 194 D CA 0.206 54.231 54.000 0.042 0.000 0.886 194 D CB 0.244 41.074 40.800 0.050 0.000 1.148 194 D HN 0.229 nan 8.370 nan 0.000 0.483 195 E N 2.352 122.564 120.200 0.020 0.000 2.129 195 E HA 0.353 4.702 4.350 -0.001 0.000 0.283 195 E C -0.559 176.003 176.600 -0.063 0.000 1.080 195 E CA -0.592 55.818 56.400 0.017 0.000 0.867 195 E CB 1.210 30.916 29.700 0.012 0.000 1.056 195 E HN 0.132 nan 8.360 nan 0.000 0.404 196 V N 3.307 123.123 119.914 -0.164 0.000 2.680 196 V HA 0.131 4.251 4.120 -0.001 0.000 0.309 196 V C -0.872 174.871 176.094 -0.585 0.000 1.052 196 V CA -1.108 60.889 62.300 -0.503 0.000 0.908 196 V CB 1.303 32.519 31.823 -1.010 0.000 1.001 196 V HN 0.624 nan 8.190 nan 0.000 0.431 197 Y N 2.544 122.532 120.300 -0.521 0.000 2.531 197 Y HA 0.203 4.752 4.550 -0.001 0.000 0.347 197 Y C 0.224 175.899 175.900 -0.375 0.000 1.024 197 Y CA -0.451 57.450 58.100 -0.332 0.000 1.306 197 Y CB 0.543 38.885 38.460 -0.197 0.000 1.149 197 Y HN 0.765 nan 8.280 nan 0.000 0.527 198 W N 4.227 125.330 121.300 -0.328 0.000 3.220 198 W HA 0.481 5.141 4.660 -0.001 0.000 0.328 198 W C 0.763 176.976 176.519 -0.510 0.000 1.205 198 W CA 0.441 57.647 57.345 -0.232 0.000 1.773 198 W CB 0.499 30.038 29.460 0.132 0.000 1.086 198 W HN 0.956 nan 8.180 nan 0.000 0.622 199 G N 0.902 109.120 108.800 -0.970 0.000 2.340 199 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.527 199 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.527 199 G C 0.177 174.788 174.900 -0.482 0.000 1.381 199 G CA -0.389 44.249 45.100 -0.769 0.000 1.001 199 G HN 0.104 nan 8.290 nan 0.000 0.626 200 K N -0.594 119.732 120.400 -0.122 0.000 2.400 200 K HA 0.244 4.563 4.320 -0.001 0.000 0.194 200 K C 0.280 176.852 176.600 -0.046 0.000 1.033 200 K CA 0.563 56.869 56.287 0.031 0.000 1.021 200 K CB 0.303 32.870 32.500 0.111 0.000 0.808 200 K HN 0.361 nan 8.250 nan 0.000 0.505 201 E N 1.236 121.379 120.200 -0.096 0.000 2.376 201 E HA 0.092 4.442 4.350 -0.001 0.000 0.266 201 E C 0.054 176.542 176.600 -0.186 0.000 1.009 201 E CA 0.148 56.478 56.400 -0.116 0.000 0.902 201 E CB 1.342 30.975 29.700 -0.112 0.000 0.972 201 E HN 0.367 nan 8.360 nan 0.000 0.439 202 A N 3.341 126.057 122.820 -0.173 0.000 2.423 202 A HA 0.159 4.478 4.320 -0.001 0.000 0.246 202 A C 0.119 177.530 177.584 -0.288 0.000 1.278 202 A CA -0.170 51.729 52.037 -0.231 0.000 0.903 202 A CB 0.208 19.119 19.000 -0.147 0.000 0.997 202 A HN 0.452 nan 8.150 nan 0.000 0.510 203 T N -0.413 113.982 114.554 -0.264 0.000 2.824 203 T HA 0.362 4.712 4.350 -0.001 0.000 0.282 203 T C -0.577 173.987 174.700 -0.227 0.000 0.993 203 T CA -0.395 61.572 62.100 -0.221 0.000 0.967 203 T CB 0.618 69.436 68.868 -0.082 0.000 0.960 203 T HN 0.418 nan 8.240 nan 0.000 0.441 204 W N 3.747 125.023 121.300 -0.040 0.000 2.257 204 W HA 0.273 4.932 4.660 -0.001 0.000 0.337 204 W C 1.030 177.505 176.519 -0.072 0.000 1.321 204 W CA -0.361 56.942 57.345 -0.071 0.000 1.267 204 W CB -0.048 29.392 29.460 -0.033 0.000 1.187 204 W HN 0.692 nan 8.180 nan 0.000 0.565 205 L N 1.763 123.101 121.223 0.192 0.000 5.081 205 L HA -0.216 4.124 4.340 -0.001 0.000 0.423 205 L C 1.208 178.100 176.870 0.037 0.000 1.019 205 L CA 0.597 55.481 54.840 0.074 0.000 1.223 205 L CB -2.200 39.907 42.059 0.079 0.000 1.940 205 L HN 0.730 nan 8.230 nan 0.000 0.675 206 G N 0.290 109.096 108.800 0.010 0.000 2.614 206 G HA2 0.327 4.286 3.960 -0.001 0.000 0.239 206 G HA3 0.327 4.286 3.960 -0.001 0.000 0.239 206 G C -0.393 174.508 174.900 0.001 0.000 1.240 206 G CA 0.680 45.774 45.100 -0.009 0.000 0.842 206 G HN 0.253 nan 8.290 nan 0.000 0.584 207 D N -0.301 120.113 120.400 0.023 0.000 2.479 207 D HA 0.256 4.895 4.640 -0.001 0.000 0.246 207 D C -0.117 176.221 176.300 0.064 0.000 1.336 207 D CA -0.554 53.482 54.000 0.061 0.000 0.967 207 D CB 0.921 41.782 40.800 0.101 0.000 1.275 207 D HN 0.394 nan 8.370 nan 0.000 0.577 208 E N 2.872 123.101 120.200 0.048 0.000 3.428 208 E HA 0.155 4.505 4.350 -0.001 0.000 0.191 208 E C 0.482 177.104 176.600 0.037 0.000 0.980 208 E CA -0.054 56.373 56.400 0.045 0.000 1.305 208 E CB 0.817 30.527 29.700 0.017 0.000 1.105 208 E HN 0.423 nan 8.360 nan 0.000 0.455 209 R N -0.347 120.181 120.500 0.046 0.000 2.577 209 R HA 0.257 4.597 4.340 -0.001 0.000 0.344 209 R C -0.521 175.626 176.300 -0.254 0.000 1.037 209 R CA -0.293 55.754 56.100 -0.089 0.000 1.102 209 R CB 0.071 30.282 30.300 -0.149 0.000 1.313 209 R HN -0.045 nan 8.270 nan 0.000 0.561 210 Y N 0.885 121.193 120.300 0.013 0.000 2.446 210 Y HA 0.475 5.024 4.550 -0.001 0.000 0.345 210 Y C 0.232 176.139 175.900 0.011 0.000 0.984 210 Y CA -0.492 57.616 58.100 0.014 0.000 1.058 210 Y CB 2.362 40.833 38.460 0.019 0.000 1.220 210 Y HN 0.182 nan 8.280 nan 0.000 0.455 211 S N 0.483 116.281 115.700 0.162 0.000 2.697 211 S HA 0.887 5.356 4.470 -0.001 0.000 0.289 211 S C 0.188 174.851 174.600 0.105 0.000 1.149 211 S CA -0.398 57.862 58.200 0.100 0.000 0.850 211 S CB 1.450 64.677 63.200 0.046 0.000 1.151 211 S HN 1.484 nan 8.310 nan 0.000 0.491 212 G N 1.699 110.541 108.800 0.069 0.000 2.582 212 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.288 212 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.288 212 G C 0.497 175.435 174.900 0.064 0.000 1.247 212 G CA 0.816 45.951 45.100 0.059 0.000 0.972 212 G HN 0.929 nan 8.290 nan 0.000 0.557 213 K N 0.038 120.473 120.400 0.059 0.000 1.967 213 K HA 0.038 4.358 4.320 -0.001 0.000 0.212 213 K C 1.819 178.452 176.600 0.056 0.000 1.044 213 K CA 1.567 57.882 56.287 0.046 0.000 0.942 213 K CB -0.002 32.522 32.500 0.039 0.000 0.726 213 K HN 0.425 nan 8.250 nan 0.000 0.440 214 R N 0.942 121.502 120.500 0.101 0.000 2.533 214 R HA 0.083 4.422 4.340 -0.001 0.000 0.268 214 R C -1.779 174.726 176.300 0.341 0.000 1.303 214 R CA -0.147 56.054 56.100 0.168 0.000 1.429 214 R CB 0.446 30.764 30.300 0.029 0.000 1.361 214 R HN 0.077 nan 8.270 nan 0.000 0.745 215 D N 1.775 122.340 120.400 0.275 0.000 2.325 215 D HA 0.054 4.694 4.640 -0.001 0.000 0.251 215 D C -0.290 176.020 176.300 0.016 0.000 1.196 215 D CA -0.146 53.942 54.000 0.147 0.000 0.866 215 D CB 1.438 42.280 40.800 0.070 0.000 1.101 215 D HN 0.171 nan 8.370 nan 0.000 0.476 216 L N 2.266 123.401 121.223 -0.148 0.000 2.331 216 L HA 0.112 4.451 4.340 -0.001 0.000 0.278 216 L C 0.575 177.259 176.870 -0.310 0.000 1.106 216 L CA -0.253 54.251 54.840 -0.560 0.000 0.824 216 L CB 0.674 42.498 42.059 -0.391 0.000 1.142 216 L HN 0.323 nan 8.230 nan 0.000 0.443 217 E N 3.995 123.997 120.200 -0.330 0.000 2.493 217 E HA -0.073 4.276 4.350 -0.001 0.000 0.255 217 E C -0.434 176.061 176.600 -0.175 0.000 0.999 217 E CA 0.205 56.493 56.400 -0.187 0.000 0.934 217 E CB 0.136 29.759 29.700 -0.128 0.000 0.940 217 E HN 0.761 nan 8.360 nan 0.000 0.473 218 N N 5.094 123.666 118.700 -0.214 0.000 2.518 218 N HA 0.047 4.786 4.740 -0.001 0.000 0.266 218 N C -1.844 173.499 175.510 -0.279 0.000 1.196 218 N CA -1.146 51.675 53.050 -0.381 0.000 0.947 218 N CB 0.804 38.888 38.487 -0.672 0.000 1.098 218 N HN 0.456 nan 8.380 nan 0.000 0.450 219 P HA 0.104 nan 4.420 nan 0.000 0.258 219 P C -0.498 176.747 177.300 -0.092 0.000 1.416 219 P CA 0.133 63.069 63.100 -0.274 0.000 0.927 219 P CB 0.258 31.935 31.700 -0.039 0.000 1.444 220 L N -0.002 121.180 121.223 -0.069 0.000 2.452 220 L HA 0.440 4.780 4.340 -0.001 0.000 0.267 220 L C 1.228 178.096 176.870 -0.002 0.000 1.188 220 L CA -0.350 54.480 54.840 -0.017 0.000 0.821 220 L CB 0.376 42.409 42.059 -0.043 0.000 1.102 220 L HN -0.085 nan 8.230 nan 0.000 0.470 221 A N 1.288 124.144 122.820 0.061 0.000 2.630 221 A HA 0.696 5.015 4.320 -0.001 0.000 0.287 221 A C 0.113 177.794 177.584 0.161 0.000 1.040 221 A CA 0.201 52.300 52.037 0.104 0.000 0.971 221 A CB 0.359 19.428 19.000 0.115 0.000 1.241 221 A HN 0.698 nan 8.150 nan 0.000 0.558 222 A N -0.520 122.363 122.820 0.106 0.000 2.454 222 A HA 0.626 4.945 4.320 -0.001 0.000 0.302 222 A C 0.896 178.534 177.584 0.091 0.000 1.079 222 A CA 0.199 52.295 52.037 0.098 0.000 0.731 222 A CB 0.954 19.949 19.000 -0.008 0.000 1.299 222 A HN 1.145 nan 8.150 nan 0.000 0.413 223 V N -1.615 118.388 119.914 0.149 0.000 2.951 223 V HA 0.173 4.292 4.120 -0.001 0.000 0.255 223 V C 0.402 176.607 176.094 0.184 0.000 1.088 223 V CA 1.276 63.723 62.300 0.246 0.000 1.109 223 V CB -1.089 30.896 31.823 0.269 0.000 0.724 223 V HN 0.730 nan 8.190 nan 0.000 0.471 224 Q N -0.344 119.493 119.800 0.061 0.000 2.456 224 Q HA 0.571 4.910 4.340 -0.001 0.000 0.284 224 Q C -1.103 174.834 176.000 -0.105 0.000 1.061 224 Q CA -1.096 54.711 55.803 0.006 0.000 0.799 224 Q CB 2.309 31.058 28.738 0.020 0.000 1.445 224 Q HN 0.302 nan 8.270 nan 0.000 0.411 225 M N 1.153 120.684 119.600 -0.115 0.000 2.307 225 M HA 0.316 4.796 4.480 -0.001 0.000 0.346 225 M C 0.701 176.845 176.300 -0.260 0.000 1.552 225 M CA 1.601 56.780 55.300 -0.202 0.000 1.116 225 M CB -0.585 31.919 32.600 -0.159 0.000 1.889 225 M HN 0.839 nan 8.290 nan 0.000 0.460 226 G N 3.914 112.233 108.800 -0.802 0.000 2.159 226 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.227 226 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.227 226 G C -0.271 174.103 174.900 -0.876 0.000 0.986 226 G CA 0.061 44.417 45.100 -1.240 0.000 0.651 226 G HN 0.696 nan 8.290 nan 0.000 0.523 227 L N 0.958 121.799 121.223 -0.637 0.000 2.344 227 L HA 0.489 4.829 4.340 -0.001 0.000 0.272 227 L C 1.823 178.498 176.870 -0.325 0.000 1.035 227 L CA -1.463 53.182 54.840 -0.325 0.000 0.807 227 L CB 0.835 42.814 42.059 -0.134 0.000 1.237 227 L HN -0.151 nan 8.230 nan 0.000 0.442 228 I N 0.381 120.777 120.570 -0.290 0.000 2.162 228 I HA -0.184 3.985 4.170 -0.001 0.000 0.238 228 I C 1.330 177.069 176.117 -0.631 0.000 1.076 228 I CA 2.147 63.118 61.300 -0.549 0.000 1.353 228 I CB -0.606 36.812 38.000 -0.970 0.000 1.063 228 I HN 0.646 nan 8.210 nan 0.000 0.408 229 Y N -0.456 119.842 120.300 -0.005 0.000 3.183 229 Y HA 0.262 4.811 4.550 -0.001 0.000 0.200 229 Y C 0.698 176.673 175.900 0.125 0.000 0.912 229 Y CA -0.353 57.785 58.100 0.063 0.000 1.642 229 Y CB 0.050 38.582 38.460 0.120 0.000 1.447 229 Y HN -0.129 nan 8.280 nan 0.000 0.421 230 V N -1.000 119.143 119.914 0.383 0.000 3.113 230 V HA 0.503 4.623 4.120 -0.001 0.000 0.316 230 V C -0.688 175.540 176.094 0.222 0.000 1.125 230 V CA -1.201 61.270 62.300 0.286 0.000 1.026 230 V CB 1.755 33.764 31.823 0.310 0.000 1.080 230 V HN 0.303 nan 8.190 nan 0.000 0.444 231 N N 3.025 121.833 118.700 0.179 0.000 2.442 231 N HA 0.336 5.075 4.740 -0.001 0.000 0.265 231 N C -1.555 174.065 175.510 0.183 0.000 1.138 231 N CA -1.774 51.369 53.050 0.155 0.000 0.956 231 N CB 1.580 40.142 38.487 0.125 0.000 1.067 231 N HN 0.624 nan 8.380 nan 0.000 0.474 232 P HA -0.036 nan 4.420 nan 0.000 0.230 232 P C -0.059 177.363 177.300 0.203 0.000 1.158 232 P CA 1.036 64.269 63.100 0.221 0.000 0.769 232 P CB 0.393 32.233 31.700 0.233 0.000 0.807 233 E N -0.129 120.185 120.200 0.190 0.000 2.444 233 E HA 0.340 4.690 4.350 -0.001 0.000 0.191 233 E C 0.784 177.495 176.600 0.185 0.000 1.041 233 E CA -0.089 56.443 56.400 0.221 0.000 0.883 233 E CB 0.028 29.882 29.700 0.257 0.000 1.024 233 E HN 0.186 nan 8.360 nan 0.000 0.470 234 G N 2.275 111.167 108.800 0.153 0.000 2.707 234 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.686 234 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.686 234 G C -2.911 172.047 174.900 0.095 0.000 1.315 234 G CA -1.330 43.838 45.100 0.112 0.000 0.832 234 G HN -0.112 nan 8.290 nan 0.000 0.573 235 P HA 0.162 nan 4.420 nan 0.000 0.261 235 P C 0.451 177.771 177.300 0.033 0.000 1.183 235 P CA 0.617 63.736 63.100 0.033 0.000 0.761 235 P CB 0.159 31.853 31.700 -0.010 0.000 0.785 236 N N 2.972 121.695 118.700 0.038 0.000 2.693 236 N HA -0.225 4.515 4.740 -0.001 0.000 0.249 236 N C 0.966 176.524 175.510 0.080 0.000 1.119 236 N CA 1.774 54.851 53.050 0.046 0.000 0.717 236 N CB -1.808 36.691 38.487 0.020 0.000 1.071 236 N HN 0.848 nan 8.380 nan 0.000 0.555 237 G N 0.010 108.876 108.800 0.109 0.000 2.143 237 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.249 237 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.249 237 G C -0.181 174.845 174.900 0.210 0.000 0.981 237 G CA 0.361 45.567 45.100 0.176 0.000 0.665 237 G HN 0.717 nan 8.290 nan 0.000 0.528 238 N N 1.091 119.853 118.700 0.103 0.000 2.437 238 N HA 0.362 5.102 4.740 -0.001 0.000 0.243 238 N C -2.096 173.397 175.510 -0.028 0.000 1.041 238 N CA -1.633 51.428 53.050 0.019 0.000 0.940 238 N CB 1.284 39.772 38.487 0.001 0.000 1.133 238 N HN 0.040 nan 8.380 nan 0.000 0.506 239 P HA 0.046 nan 4.420 nan 0.000 0.237 239 P C -0.874 176.423 177.300 -0.005 0.000 1.723 239 P CA 0.035 63.084 63.100 -0.086 0.000 0.882 239 P CB -0.341 31.166 31.700 -0.321 0.000 1.810 240 D N 1.694 122.091 120.400 -0.007 0.000 2.380 240 D HA 0.133 4.773 4.640 -0.001 0.000 0.230 240 D C -1.563 174.749 176.300 0.020 0.000 1.154 240 D CA -2.200 51.802 54.000 0.004 0.000 0.859 240 D CB 1.477 42.269 40.800 -0.015 0.000 1.045 240 D HN 0.013 nan 8.370 nan 0.000 0.495 241 P HA -0.121 nan 4.420 nan 0.000 0.217 241 P C 1.465 178.766 177.300 0.001 0.000 1.150 241 P CA 0.741 63.830 63.100 -0.019 0.000 0.832 241 P CB 0.198 31.830 31.700 -0.114 0.000 0.787 242 M N 0.044 119.640 119.600 -0.007 0.000 2.086 242 M HA -0.068 4.411 4.480 -0.001 0.000 0.261 242 M C 1.986 178.292 176.300 0.009 0.000 1.067 242 M CA 1.955 57.254 55.300 -0.001 0.000 1.116 242 M CB -1.270 31.323 32.600 -0.011 0.000 1.348 242 M HN -0.129 nan 8.290 nan 0.000 0.407 243 A N -0.388 122.437 122.820 0.008 0.000 1.898 243 A HA 0.077 4.396 4.320 -0.001 0.000 0.216 243 A C 2.355 179.959 177.584 0.033 0.000 1.181 243 A CA 1.847 53.891 52.037 0.011 0.000 0.620 243 A CB -1.422 17.578 19.000 -0.001 0.000 0.819 243 A HN 0.629 nan 8.150 nan 0.000 0.442 244 A N -0.003 122.846 122.820 0.048 0.000 1.940 244 A HA 0.092 4.412 4.320 -0.001 0.000 0.219 244 A C 2.456 180.105 177.584 0.108 0.000 1.176 244 A CA 2.141 54.227 52.037 0.081 0.000 0.631 244 A CB -0.948 18.105 19.000 0.087 0.000 0.814 244 A HN 1.094 nan 8.150 nan 0.000 0.446 245 A N -0.672 122.212 122.820 0.106 0.000 1.972 245 A HA 0.046 4.366 4.320 -0.001 0.000 0.219 245 A C 2.184 179.844 177.584 0.126 0.000 1.169 245 A CA 1.615 53.754 52.037 0.170 0.000 0.635 245 A CB -0.772 18.321 19.000 0.156 0.000 0.810 245 A HN 0.377 nan 8.150 nan 0.000 0.446 246 V N 0.533 120.490 119.914 0.071 0.000 2.343 246 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 246 V C 2.170 178.330 176.094 0.110 0.000 1.051 246 V CA 2.367 64.703 62.300 0.061 0.000 1.036 246 V CB -0.757 31.088 31.823 0.035 0.000 0.654 246 V HN 0.488 nan 8.190 nan 0.000 0.451 247 D N -0.093 120.383 120.400 0.127 0.000 2.117 247 D HA -0.088 4.551 4.640 -0.001 0.000 0.198 247 D C 2.063 178.501 176.300 0.230 0.000 0.982 247 D CA 1.198 55.305 54.000 0.178 0.000 0.828 247 D CB -0.218 40.681 40.800 0.165 0.000 0.967 247 D HN 0.388 nan 8.370 nan 0.000 0.464 248 I N 0.545 121.251 120.570 0.226 0.000 2.127 248 I HA -0.287 3.883 4.170 -0.001 0.000 0.241 248 I C 2.594 178.872 176.117 0.269 0.000 1.075 248 I CA 1.074 62.526 61.300 0.253 0.000 1.334 248 I CB -0.207 37.867 38.000 0.122 0.000 1.040 248 I HN -0.067 nan 8.210 nan 0.000 0.405 249 R N 0.856 121.498 120.500 0.237 0.000 2.094 249 R HA -0.283 4.056 4.340 -0.001 0.000 0.239 249 R C 2.274 178.687 176.300 0.189 0.000 1.137 249 R CA 2.276 58.493 56.100 0.196 0.000 0.943 249 R CB -0.199 30.146 30.300 0.075 0.000 0.850 249 R HN 0.250 nan 8.270 nan 0.000 0.433 250 E N -0.266 120.040 120.200 0.177 0.000 2.047 250 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 250 E C 1.881 178.586 176.600 0.174 0.000 0.987 250 E CA 2.288 58.785 56.400 0.161 0.000 0.799 250 E CB -0.297 29.500 29.700 0.160 0.000 0.752 250 E HN 0.540 nan 8.360 nan 0.000 0.449 251 T N -1.691 112.991 114.554 0.213 0.000 2.746 251 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 251 T C 1.879 176.614 174.700 0.060 0.000 1.039 251 T CA 1.266 63.479 62.100 0.188 0.000 1.142 251 T CB -0.747 68.288 68.868 0.277 0.000 0.866 251 T HN 0.110 nan 8.240 nan 0.000 0.444 252 F N 1.754 121.636 119.950 -0.115 0.000 2.186 252 F HA 0.196 4.723 4.527 -0.001 0.000 0.299 252 F C 2.897 178.684 175.800 -0.023 0.000 1.090 252 F CA 0.826 58.711 58.000 -0.193 0.000 1.307 252 F CB -0.410 38.473 39.000 -0.194 0.000 1.019 252 F HN 0.059 nan 8.300 nan 0.000 0.489 253 R N 0.713 121.333 120.500 0.200 0.000 2.091 253 R HA -0.158 4.181 4.340 -0.001 0.000 0.238 253 R C 2.039 178.410 176.300 0.118 0.000 1.136 253 R CA 1.553 57.741 56.100 0.147 0.000 0.959 253 R CB -0.207 30.169 30.300 0.128 0.000 0.856 253 R HN 0.193 nan 8.270 nan 0.000 0.437 254 R N -0.420 120.142 120.500 0.103 0.000 2.339 254 R HA 0.039 4.379 4.340 -0.001 0.000 0.199 254 R C 0.934 177.274 176.300 0.067 0.000 1.018 254 R CA 0.571 56.718 56.100 0.078 0.000 1.036 254 R CB 0.185 30.529 30.300 0.073 0.000 0.899 254 R HN 0.323 nan 8.270 nan 0.000 0.473 255 M N -0.619 119.043 119.600 0.102 0.000 2.589 255 M HA 0.284 4.763 4.480 -0.001 0.000 0.344 255 M C 0.227 176.664 176.300 0.228 0.000 1.168 255 M CA -0.168 55.249 55.300 0.195 0.000 0.956 255 M CB 1.336 34.059 32.600 0.204 0.000 1.370 255 M HN 0.113 nan 8.290 nan 0.000 0.518 256 A N 0.407 123.331 122.820 0.174 0.000 3.028 256 A HA -0.140 4.179 4.320 -0.001 0.000 0.248 256 A C 0.039 177.675 177.584 0.087 0.000 1.316 256 A CA 0.844 52.963 52.037 0.137 0.000 1.003 256 A CB -1.464 17.625 19.000 0.148 0.000 1.148 256 A HN 0.487 nan 8.150 nan 0.000 0.828 257 M N 1.492 121.169 119.600 0.129 0.000 2.227 257 M HA 0.294 4.773 4.480 -0.001 0.000 0.335 257 M C 0.679 177.073 176.300 0.157 0.000 1.053 257 M CA -0.530 54.859 55.300 0.149 0.000 0.973 257 M CB 0.840 33.596 32.600 0.259 0.000 1.623 257 M HN 0.656 nan 8.290 nan 0.000 0.434 258 N N 1.779 120.556 118.700 0.130 0.000 2.374 258 N HA 0.163 4.903 4.740 -0.001 0.000 0.284 258 N C -0.127 175.463 175.510 0.135 0.000 1.280 258 N CA -0.769 52.356 53.050 0.124 0.000 0.963 258 N CB 1.053 39.606 38.487 0.110 0.000 1.141 258 N HN 0.399 nan 8.380 nan 0.000 0.565 259 D N -0.148 120.330 120.400 0.129 0.000 2.117 259 D HA -0.098 4.541 4.640 -0.001 0.000 0.197 259 D C 2.054 178.465 176.300 0.185 0.000 0.987 259 D CA 0.944 55.054 54.000 0.182 0.000 0.829 259 D CB -0.292 40.560 40.800 0.088 0.000 0.961 259 D HN 0.301 nan 8.370 nan 0.000 0.460 260 V N 1.348 121.357 119.914 0.158 0.000 2.307 260 V HA -0.208 3.912 4.120 -0.001 0.000 0.245 260 V C 2.287 178.555 176.094 0.291 0.000 1.045 260 V CA 1.599 64.036 62.300 0.228 0.000 1.024 260 V CB -0.449 31.519 31.823 0.243 0.000 0.651 260 V HN 0.171 nan 8.190 nan 0.000 0.449 261 E N -0.060 120.258 120.200 0.196 0.000 2.077 261 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 261 E C 2.286 178.944 176.600 0.097 0.000 0.989 261 E CA 1.831 58.328 56.400 0.162 0.000 0.800 261 E CB -0.332 29.443 29.700 0.125 0.000 0.746 261 E HN 0.579 nan 8.360 nan 0.000 0.452 262 T N 1.045 115.605 114.554 0.010 0.000 2.674 262 T HA -0.195 4.154 4.350 -0.001 0.000 0.265 262 T C 2.059 176.512 174.700 -0.412 0.000 1.039 262 T CA 1.391 63.305 62.100 -0.310 0.000 1.150 262 T CB -0.370 68.260 68.868 -0.398 0.000 0.864 262 T HN 0.273 nan 8.240 nan 0.000 0.427 263 A N 1.630 124.296 122.820 -0.256 0.000 1.883 263 A HA 0.037 4.356 4.320 -0.001 0.000 0.217 263 A C 2.674 180.296 177.584 0.063 0.000 1.186 263 A CA 2.161 54.081 52.037 -0.195 0.000 0.624 263 A CB -1.289 17.663 19.000 -0.079 0.000 0.822 263 A HN 0.528 nan 8.150 nan 0.000 0.444 264 A N -0.350 122.633 122.820 0.273 0.000 1.883 264 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 264 A C 2.214 179.730 177.584 -0.114 0.000 1.186 264 A CA 1.676 53.738 52.037 0.042 0.000 0.624 264 A CB -0.683 18.381 19.000 0.106 0.000 0.822 264 A HN 0.495 nan 8.150 nan 0.000 0.444 265 L N -0.809 120.398 121.223 -0.026 0.000 2.046 265 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 265 L C 2.520 179.116 176.870 -0.457 0.000 1.077 265 L CA 1.357 56.171 54.840 -0.044 0.000 0.747 265 L CB -0.511 41.567 42.059 0.032 0.000 0.896 265 L HN 0.395 nan 8.230 nan 0.000 0.432 266 I N -0.822 119.402 120.570 -0.578 0.000 2.202 266 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 266 I C 2.596 178.085 176.117 -1.045 0.000 1.091 266 I CA 1.342 62.145 61.300 -0.828 0.000 1.368 266 I CB -0.380 37.194 38.000 -0.709 0.000 1.058 266 I HN 0.136 nan 8.210 nan 0.000 0.410 267 V N 1.020 120.395 119.914 -0.897 0.000 2.358 267 V HA -0.119 4.001 4.120 -0.001 0.000 0.246 267 V C 2.294 177.736 176.094 -1.086 0.000 1.047 267 V CA 2.233 63.824 62.300 -1.183 0.000 1.035 267 V CB -1.107 30.333 31.823 -0.638 0.000 0.658 267 V HN 0.444 nan 8.190 nan 0.000 0.452 268 G N -0.063 108.057 108.800 -1.133 0.000 2.446 268 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.217 268 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.217 268 G C 1.581 175.869 174.900 -1.020 0.000 1.168 268 G CA 0.947 45.010 45.100 -1.728 0.000 0.771 268 G HN 0.794 nan 8.290 nan 0.000 0.551 269 G N -0.366 107.953 108.800 -0.801 0.000 2.404 269 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.215 269 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.215 269 G C 1.474 176.173 174.900 -0.334 0.000 1.174 269 G CA 0.801 45.668 45.100 -0.389 0.000 0.780 269 G HN 0.648 nan 8.290 nan 0.000 0.537 270 H N -0.148 118.414 119.070 -0.846 0.000 2.556 270 H HA 0.085 4.641 4.556 -0.001 0.000 0.268 270 H C 2.244 177.172 175.328 -0.666 0.000 0.996 270 H CA 0.309 55.655 56.048 -1.170 0.000 1.157 270 H CB 0.367 29.060 29.762 -1.782 0.000 1.355 270 H HN 0.233 nan 8.280 nan 0.000 0.597 271 T N 0.545 114.767 114.554 -0.553 0.000 2.977 271 T HA -0.091 4.258 4.350 -0.001 0.000 0.271 271 T C -0.020 174.298 174.700 -0.636 0.000 1.105 271 T CA 0.990 62.725 62.100 -0.609 0.000 1.116 271 T CB -0.097 68.208 68.868 -0.939 0.000 0.878 271 T HN 0.081 nan 8.240 nan 0.000 0.509 272 F N -0.167 119.750 119.950 -0.055 0.000 2.546 272 F HA 0.596 5.123 4.527 -0.001 0.000 0.320 272 F C 1.178 177.086 175.800 0.180 0.000 1.076 272 F CA -0.637 57.376 58.000 0.021 0.000 0.928 272 F CB 1.292 40.283 39.000 -0.015 0.000 1.189 272 F HN 0.195 nan 8.300 nan 0.000 0.465 273 G N 2.301 111.307 108.800 0.343 0.000 2.539 273 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.256 273 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.256 273 G C -0.987 174.150 174.900 0.395 0.000 1.233 273 G CA 0.083 45.404 45.100 0.369 0.000 0.936 273 G HN 1.130 nan 8.290 nan 0.000 0.571 274 K N -1.948 118.637 120.400 0.309 0.000 2.642 274 K HA 0.673 4.993 4.320 -0.001 0.000 0.290 274 K C -0.143 176.285 176.600 -0.286 0.000 1.006 274 K CA -0.165 56.016 56.287 -0.175 0.000 0.869 274 K CB 1.015 33.404 32.500 -0.186 0.000 1.499 274 K HN 1.426 nan 8.250 nan 0.000 0.403 275 T N -1.225 112.997 114.554 -0.554 0.000 2.862 275 T HA 0.454 4.804 4.350 -0.001 0.000 0.276 275 T C -0.642 173.709 174.700 -0.580 0.000 0.974 275 T CA -0.337 61.570 62.100 -0.321 0.000 0.966 275 T CB 0.486 69.208 68.868 -0.243 0.000 1.072 275 T HN 0.662 nan 8.240 nan 0.000 0.538 276 H N -1.229 117.830 119.070 -0.018 0.000 3.013 276 H HA 0.605 5.160 4.556 -0.001 0.000 0.326 276 H C 0.238 175.549 175.328 -0.029 0.000 0.973 276 H CA -0.605 55.437 56.048 -0.010 0.000 1.369 276 H CB 1.531 31.321 29.762 0.047 0.000 1.598 276 H HN 1.061 nan 8.280 nan 0.000 0.518 277 G N 1.240 110.046 108.800 0.009 0.000 4.677 277 G HA2 0.411 4.370 3.960 -0.001 0.000 0.225 277 G HA3 0.411 4.370 3.960 -0.001 0.000 0.225 277 G C 0.731 175.568 174.900 -0.105 0.000 0.876 277 G CA 0.102 45.174 45.100 -0.047 0.000 0.652 277 G HN 0.717 nan 8.290 nan 0.000 0.481 278 A N -0.321 122.445 122.820 -0.091 0.000 2.066 278 A HA 0.618 4.937 4.320 -0.001 0.000 0.218 278 A C 1.405 178.731 177.584 -0.430 0.000 1.157 278 A CA 1.416 53.385 52.037 -0.113 0.000 0.670 278 A CB 0.144 19.189 19.000 0.076 0.000 0.804 278 A HN 1.242 nan 8.150 nan 0.000 0.453 279 G N -1.591 106.779 108.800 -0.717 0.000 2.727 279 G HA2 0.536 4.495 3.960 -0.001 0.000 0.289 279 G HA3 0.536 4.495 3.960 -0.001 0.000 0.289 279 G C -3.368 171.213 174.900 -0.532 0.000 1.418 279 G CA -1.280 43.123 45.100 -1.162 0.000 0.818 279 G HN -0.072 nan 8.290 nan 0.000 0.486 280 P HA 0.235 nan 4.420 nan 0.000 0.268 280 P C 0.670 177.904 177.300 -0.109 0.000 1.204 280 P CA 0.338 63.334 63.100 -0.173 0.000 0.768 280 P CB 1.521 33.163 31.700 -0.098 0.000 0.842 281 A N 3.465 126.241 122.820 -0.073 0.000 2.119 281 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 281 A C 1.462 179.055 177.584 0.015 0.000 1.153 281 A CA 1.409 53.431 52.037 -0.025 0.000 0.692 281 A CB -0.958 18.027 19.000 -0.025 0.000 0.799 281 A HN 0.584 nan 8.150 nan 0.000 0.458 282 D N -0.128 120.277 120.400 0.009 0.000 2.363 282 D HA -0.043 4.597 4.640 -0.001 0.000 0.226 282 D C 1.163 177.492 176.300 0.049 0.000 1.020 282 D CA 0.346 54.364 54.000 0.030 0.000 0.892 282 D CB -0.485 40.327 40.800 0.019 0.000 0.900 282 D HN 0.467 nan 8.370 nan 0.000 0.531 283 L N 0.224 121.481 121.223 0.057 0.000 2.591 283 L HA 0.182 4.522 4.340 -0.001 0.000 0.228 283 L C 0.143 177.079 176.870 0.111 0.000 1.133 283 L CA -0.170 54.724 54.840 0.090 0.000 0.880 283 L CB 0.446 42.582 42.059 0.129 0.000 1.033 283 L HN -0.116 nan 8.230 nan 0.000 0.450 284 V N 0.452 120.432 119.914 0.109 0.000 2.383 284 V HA 0.414 4.534 4.120 -0.001 0.000 0.275 284 V C 0.987 177.169 176.094 0.147 0.000 1.036 284 V CA -0.557 61.835 62.300 0.152 0.000 0.889 284 V CB 1.085 33.008 31.823 0.167 0.000 0.985 284 V HN 0.248 nan 8.190 nan 0.000 0.459 285 G N 6.154 115.035 108.800 0.134 0.000 2.553 285 G HA2 0.415 4.374 3.960 -0.001 0.000 0.278 285 G HA3 0.415 4.374 3.960 -0.001 0.000 0.278 285 G C -2.415 172.499 174.900 0.023 0.000 1.349 285 G CA -0.991 44.150 45.100 0.069 0.000 1.037 285 G HN 0.592 nan 8.290 nan 0.000 0.508 286 P HA 0.092 nan 4.420 nan 0.000 0.269 286 P C 0.237 177.296 177.300 -0.401 0.000 1.209 286 P CA -0.149 62.865 63.100 -0.142 0.000 0.776 286 P CB 0.669 32.304 31.700 -0.108 0.000 0.876 287 E N 4.041 123.904 120.200 -0.561 0.000 2.438 287 E HA -0.029 4.320 4.350 -0.001 0.000 0.261 287 E C -1.934 174.188 176.600 -0.797 0.000 1.103 287 E CA -1.235 54.488 56.400 -1.128 0.000 0.959 287 E CB -0.861 28.414 29.700 -0.709 0.000 0.958 287 E HN 0.219 nan 8.360 nan 0.000 0.447 288 P HA -0.192 nan 4.420 nan 0.000 0.216 288 P C 1.009 178.124 177.300 -0.309 0.000 1.154 288 P CA 1.513 64.299 63.100 -0.523 0.000 0.865 288 P CB 0.168 31.586 31.700 -0.471 0.000 0.789 289 E N -1.141 118.909 120.200 -0.250 0.000 2.338 289 E HA -0.027 4.322 4.350 -0.001 0.000 0.197 289 E C 1.677 178.217 176.600 -0.100 0.000 1.007 289 E CA 0.978 57.301 56.400 -0.127 0.000 0.849 289 E CB -0.426 29.241 29.700 -0.055 0.000 0.774 289 E HN 0.218 nan 8.360 nan 0.000 0.506 290 A N 0.380 123.122 122.820 -0.130 0.000 2.348 290 A HA 0.457 4.776 4.320 -0.001 0.000 0.224 290 A C 1.096 178.615 177.584 -0.108 0.000 1.227 290 A CA 0.289 52.273 52.037 -0.089 0.000 0.885 290 A CB 0.251 19.217 19.000 -0.056 0.000 0.933 290 A HN 0.121 nan 8.150 nan 0.000 0.506 291 A N 1.458 124.186 122.820 -0.153 0.000 2.322 291 A HA 0.597 4.917 4.320 -0.001 0.000 0.269 291 A C -2.123 175.400 177.584 -0.102 0.000 1.094 291 A CA -1.321 50.631 52.037 -0.140 0.000 0.807 291 A CB -0.241 18.645 19.000 -0.190 0.000 1.047 291 A HN 0.269 nan 8.150 nan 0.000 0.487 292 P HA 0.056 nan 4.420 nan 0.000 0.269 292 P C 0.649 177.905 177.300 -0.073 0.000 1.215 292 P CA -0.429 62.632 63.100 -0.066 0.000 0.780 292 P CB 0.447 32.116 31.700 -0.051 0.000 0.898 293 L N 1.569 122.753 121.223 -0.064 0.000 2.081 293 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 293 L C 2.394 179.221 176.870 -0.073 0.000 1.080 293 L CA 1.909 56.708 54.840 -0.068 0.000 0.754 293 L CB -1.262 40.763 42.059 -0.057 0.000 0.893 293 L HN 0.539 nan 8.230 nan 0.000 0.433 294 E N -0.806 119.356 120.200 -0.063 0.000 2.409 294 E HA -0.241 4.109 4.350 -0.001 0.000 0.198 294 E C 1.588 178.142 176.600 -0.076 0.000 1.024 294 E CA 0.859 57.222 56.400 -0.062 0.000 0.861 294 E CB -0.440 29.232 29.700 -0.047 0.000 0.788 294 E HN 0.641 nan 8.360 nan 0.000 0.521 295 Q N -0.016 119.733 119.800 -0.085 0.000 2.451 295 Q HA 0.119 4.458 4.340 -0.001 0.000 0.206 295 Q C 0.186 176.106 176.000 -0.133 0.000 0.947 295 Q CA 0.030 55.773 55.803 -0.101 0.000 0.937 295 Q CB -0.017 28.663 28.738 -0.098 0.000 1.025 295 Q HN 0.168 nan 8.270 nan 0.000 0.511 296 M N -0.480 119.041 119.600 -0.131 0.000 2.249 296 M HA -0.255 4.224 4.480 -0.001 0.000 0.198 296 M C 0.733 176.928 176.300 -0.175 0.000 0.394 296 M CA 1.280 56.490 55.300 -0.151 0.000 0.427 296 M CB -2.454 30.046 32.600 -0.168 0.000 1.307 296 M HN 0.601 nan 8.290 nan 0.000 0.924 297 G N -0.932 107.769 108.800 -0.166 0.000 2.195 297 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.246 297 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.246 297 G C 0.128 174.908 174.900 -0.200 0.000 0.984 297 G CA 0.352 45.342 45.100 -0.183 0.000 0.633 297 G HN 0.509 nan 8.290 nan 0.000 0.525 298 L N 0.453 121.563 121.223 -0.189 0.000 2.379 298 L HA 0.728 5.067 4.340 -0.001 0.000 0.269 298 L C 1.118 177.866 176.870 -0.203 0.000 1.084 298 L CA -0.099 54.636 54.840 -0.175 0.000 0.802 298 L CB 1.377 43.349 42.059 -0.145 0.000 1.175 298 L HN 0.299 nan 8.230 nan 0.000 0.448 299 G N -1.420 107.244 108.800 -0.227 0.000 3.086 299 G HA2 0.385 4.345 3.960 -0.001 0.000 0.282 299 G HA3 0.385 4.345 3.960 -0.001 0.000 0.282 299 G C -1.153 173.685 174.900 -0.103 0.000 1.343 299 G CA -0.519 44.364 45.100 -0.362 0.000 0.895 299 G HN 0.735 nan 8.290 nan 0.000 0.557 300 W N 0.130 121.396 121.300 -0.057 0.000 5.950 300 W HA -0.165 4.494 4.660 -0.001 0.000 0.383 300 W C 0.664 177.191 176.519 0.013 0.000 1.418 300 W CA 0.837 58.165 57.345 -0.028 0.000 0.994 300 W CB -1.138 28.296 29.460 -0.043 0.000 2.552 300 W HN 0.499 nan 8.180 nan 0.000 1.551 301 K N 1.516 122.003 120.400 0.145 0.000 2.447 301 K HA 0.207 4.527 4.320 -0.001 0.000 0.281 301 K C 0.589 177.284 176.600 0.158 0.000 1.031 301 K CA 0.345 56.716 56.287 0.141 0.000 1.019 301 K CB 0.688 33.233 32.500 0.075 0.000 0.918 301 K HN -0.028 nan 8.250 nan 0.000 0.476 302 S N 1.939 117.753 115.700 0.190 0.000 2.489 302 S HA 0.160 4.630 4.470 -0.001 0.000 0.291 302 S C 0.666 175.355 174.600 0.149 0.000 1.151 302 S CA -0.672 57.638 58.200 0.184 0.000 1.082 302 S CB 1.218 64.555 63.200 0.228 0.000 1.019 302 S HN 0.674 nan 8.310 nan 0.000 0.492 303 S N 3.587 119.369 115.700 0.136 0.000 2.540 303 S HA 0.140 4.609 4.470 -0.001 0.000 0.218 303 S C 0.080 174.745 174.600 0.108 0.000 0.977 303 S CA -0.318 57.941 58.200 0.098 0.000 0.918 303 S CB -0.367 62.879 63.200 0.077 0.000 0.806 303 S HN 0.751 nan 8.310 nan 0.000 0.496 304 Y N 3.872 124.194 120.300 0.037 0.000 2.587 304 Y HA 0.442 4.992 4.550 -0.001 0.000 0.344 304 Y C 1.275 177.181 175.900 0.010 0.000 1.061 304 Y CA 0.527 58.639 58.100 0.021 0.000 1.370 304 Y CB -0.395 38.078 38.460 0.022 0.000 1.163 304 Y HN 0.467 nan 8.280 nan 0.000 0.527 305 G N 4.102 112.568 108.800 -0.556 0.000 2.651 305 G HA2 -0.478 3.481 3.960 -0.001 0.000 0.315 305 G HA3 -0.478 3.481 3.960 -0.001 0.000 0.315 305 G C 1.106 175.895 174.900 -0.186 0.000 1.258 305 G CA 1.185 46.025 45.100 -0.434 0.000 1.002 305 G HN 1.242 nan 8.290 nan 0.000 0.551 306 T N -1.054 113.409 114.554 -0.152 0.000 3.035 306 T HA 0.341 4.691 4.350 -0.001 0.000 0.268 306 T C 2.737 177.436 174.700 -0.001 0.000 1.109 306 T CA 1.919 63.973 62.100 -0.077 0.000 1.119 306 T CB -0.266 68.535 68.868 -0.111 0.000 0.900 306 T HN 2.778 nan 8.240 nan 0.000 0.503 307 G N 1.144 109.965 108.800 0.034 0.000 2.212 307 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.266 307 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.266 307 G C 0.379 175.377 174.900 0.164 0.000 0.978 307 G CA 1.031 46.215 45.100 0.141 0.000 0.632 307 G HN 1.335 nan 8.290 nan 0.000 0.537 308 T N -4.007 110.552 114.554 0.008 0.000 2.804 308 T HA 0.848 5.197 4.350 -0.001 0.000 0.290 308 T C 1.559 176.030 174.700 -0.381 0.000 1.099 308 T CA 0.788 62.754 62.100 -0.224 0.000 1.011 308 T CB 1.680 70.482 68.868 -0.110 0.000 1.291 308 T HN 2.094 nan 8.240 nan 0.000 0.523 309 G N 1.500 109.930 108.800 -0.616 0.000 2.634 309 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.318 309 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.318 309 G C 0.998 175.696 174.900 -0.335 0.000 1.207 309 G CA 0.686 45.412 45.100 -0.624 0.000 0.987 309 G HN 0.881 nan 8.290 nan 0.000 0.547 310 K N 1.168 121.268 120.400 -0.501 0.000 2.280 310 K HA -0.061 4.259 4.320 -0.001 0.000 0.202 310 K C 1.592 178.180 176.600 -0.020 0.000 1.047 310 K CA 1.672 57.877 56.287 -0.137 0.000 0.942 310 K CB -0.202 32.192 32.500 -0.177 0.000 0.739 310 K HN 0.549 nan 8.250 nan 0.000 0.457 311 D N 0.007 120.381 120.400 -0.042 0.000 2.369 311 D HA 0.066 4.706 4.640 -0.001 0.000 0.211 311 D C 0.142 176.544 176.300 0.170 0.000 1.077 311 D CA 0.001 54.085 54.000 0.140 0.000 0.842 311 D CB 0.223 41.053 40.800 0.050 0.000 0.947 311 D HN -0.006 nan 8.370 nan 0.000 0.509 312 A N 1.047 123.890 122.820 0.038 0.000 2.546 312 A HA 0.234 4.553 4.320 -0.001 0.000 0.243 312 A C 0.248 177.920 177.584 0.146 0.000 1.063 312 A CA 0.386 52.445 52.037 0.037 0.000 0.757 312 A CB -0.102 18.806 19.000 -0.153 0.000 0.991 312 A HN 0.171 nan 8.150 nan 0.000 0.503 313 I N 2.758 123.428 120.570 0.167 0.000 2.418 313 I HA 0.353 4.523 4.170 -0.001 0.000 0.287 313 I C 0.661 176.849 176.117 0.119 0.000 1.008 313 I CA -0.251 61.119 61.300 0.116 0.000 1.104 313 I CB 2.314 40.344 38.000 0.049 0.000 1.264 313 I HN 0.781 nan 8.210 nan 0.000 0.438 314 T N 1.261 115.873 114.554 0.096 0.000 3.447 314 T HA -0.023 4.326 4.350 -0.001 0.000 0.218 314 T C 1.562 176.231 174.700 -0.051 0.000 0.972 314 T CA 0.763 62.861 62.100 -0.004 0.000 1.264 314 T CB -0.019 68.886 68.868 0.062 0.000 1.284 314 T HN 0.639 nan 8.240 nan 0.000 0.361 315 S N 0.571 116.286 115.700 0.025 0.000 2.470 315 S HA 0.352 4.821 4.470 -0.001 0.000 0.225 315 S C 1.918 176.518 174.600 0.000 0.000 1.006 315 S CA 1.034 59.244 58.200 0.017 0.000 0.934 315 S CB -0.144 63.102 63.200 0.077 0.000 0.778 315 S HN 1.048 nan 8.310 nan 0.000 0.517 316 G N 0.772 109.569 108.800 -0.006 0.000 2.175 316 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.244 316 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.244 316 G C -0.019 174.851 174.900 -0.051 0.000 0.982 316 G CA 0.141 45.217 45.100 -0.039 0.000 0.641 316 G HN 0.563 nan 8.290 nan 0.000 0.527 317 I N 0.481 121.033 120.570 -0.031 0.000 2.488 317 I HA 0.574 4.744 4.170 -0.001 0.000 0.299 317 I C 0.233 176.287 176.117 -0.104 0.000 0.984 317 I CA -0.742 60.525 61.300 -0.055 0.000 1.250 317 I CB 1.769 39.758 38.000 -0.019 0.000 1.389 317 I HN 0.047 nan 8.210 nan 0.000 0.488 318 E N 5.090 125.208 120.200 -0.138 0.000 2.795 318 E HA 0.442 4.791 4.350 -0.001 0.000 0.226 318 E C -1.717 174.738 176.600 -0.241 0.000 1.088 318 E CA -0.234 56.057 56.400 -0.182 0.000 0.812 318 E CB 0.833 30.453 29.700 -0.133 0.000 1.328 318 E HN 0.294 nan 8.360 nan 0.000 0.410 319 V N 3.602 123.285 119.914 -0.384 0.000 2.588 319 V HA 0.504 4.623 4.120 -0.001 0.000 0.304 319 V C -0.685 174.968 176.094 -0.736 0.000 1.042 319 V CA -0.928 61.046 62.300 -0.544 0.000 0.877 319 V CB 2.164 33.576 31.823 -0.685 0.000 0.996 319 V HN 0.338 nan 8.190 nan 0.000 0.425 320 V N 4.144 123.738 119.914 -0.532 0.000 2.349 320 V HA 0.269 4.389 4.120 -0.001 0.000 0.284 320 V C 0.539 176.469 176.094 -0.273 0.000 1.014 320 V CA -0.491 61.572 62.300 -0.395 0.000 0.826 320 V CB 1.435 33.179 31.823 -0.133 0.000 1.009 320 V HN 0.985 nan 8.190 nan 0.000 0.431 321 W N 2.508 123.786 121.300 -0.035 0.000 2.388 321 W HA -0.033 4.626 4.660 -0.001 0.000 0.294 321 W C 1.111 177.612 176.519 -0.030 0.000 1.212 321 W CA 1.272 58.603 57.345 -0.023 0.000 1.271 321 W CB -0.203 29.332 29.460 0.126 0.000 1.126 321 W HN 0.639 nan 8.180 nan 0.000 0.535 322 T N -2.200 112.468 114.554 0.189 0.000 2.916 322 T HA 0.176 4.525 4.350 -0.001 0.000 0.292 322 T C 0.809 175.499 174.700 -0.016 0.000 1.055 322 T CA -0.686 61.454 62.100 0.068 0.000 1.009 322 T CB 1.740 70.617 68.868 0.014 0.000 1.118 322 T HN 0.002 nan 8.240 nan 0.000 0.497 323 N N 0.241 118.922 118.700 -0.033 0.000 2.515 323 N HA -0.029 4.710 4.740 -0.001 0.000 0.185 323 N C 0.502 175.945 175.510 -0.112 0.000 1.109 323 N CA 0.457 53.473 53.050 -0.056 0.000 0.903 323 N CB -0.219 38.252 38.487 -0.026 0.000 0.969 323 N HN 0.835 nan 8.380 nan 0.000 0.450 324 T N -2.295 112.174 114.554 -0.142 0.000 3.466 324 T HA 0.401 4.750 4.350 -0.001 0.000 0.297 324 T C -2.468 172.095 174.700 -0.228 0.000 1.640 324 T CA -1.488 60.504 62.100 -0.180 0.000 1.631 324 T CB 1.618 70.398 68.868 -0.145 0.000 0.928 324 T HN -0.199 nan 8.240 nan 0.000 0.688 325 P HA -0.014 nan 4.420 nan 0.000 0.228 325 P C 1.210 178.431 177.300 -0.132 0.000 1.151 325 P CA 0.942 63.871 63.100 -0.286 0.000 0.770 325 P CB -0.069 31.249 31.700 -0.636 0.000 0.786 326 T N -4.736 109.723 114.554 -0.158 0.000 3.266 326 T HA 0.340 4.689 4.350 -0.001 0.000 0.278 326 T C 0.090 174.823 174.700 0.055 0.000 1.010 326 T CA -0.470 61.599 62.100 -0.052 0.000 0.909 326 T CB -0.141 68.644 68.868 -0.137 0.000 1.122 326 T HN -0.095 nan 8.240 nan 0.000 0.536 327 K N 0.697 121.141 120.400 0.074 0.000 2.525 327 K HA 0.293 4.613 4.320 -0.001 0.000 0.254 327 K C -1.546 175.064 176.600 0.017 0.000 0.934 327 K CA -0.856 55.494 56.287 0.104 0.000 0.802 327 K CB 1.901 34.407 32.500 0.009 0.000 1.295 327 K HN 0.396 nan 8.250 nan 0.000 0.433 328 W N 6.189 127.513 121.300 0.039 0.000 2.356 328 W HA 0.137 4.797 4.660 -0.001 0.000 0.311 328 W C -0.972 175.509 176.519 -0.064 0.000 1.328 328 W CA 0.653 57.957 57.345 -0.068 0.000 1.251 328 W CB 0.515 30.124 29.460 0.248 0.000 1.280 328 W HN 0.867 nan 8.180 nan 0.000 0.524 329 D N 1.873 121.712 120.400 -0.935 0.000 2.970 329 D HA 0.025 4.664 4.640 -0.001 0.000 0.344 329 D C -0.691 175.101 176.300 -0.845 0.000 1.365 329 D CA -0.684 52.879 54.000 -0.727 0.000 0.910 329 D CB 0.148 40.751 40.800 -0.327 0.000 1.445 329 D HN 0.392 nan 8.370 nan 0.000 0.532 330 N N -0.905 117.518 118.700 -0.462 0.000 2.295 330 N HA 0.062 4.802 4.740 -0.001 0.000 0.221 330 N C 0.373 175.767 175.510 -0.193 0.000 1.129 330 N CA -0.115 52.739 53.050 -0.327 0.000 0.836 330 N CB 0.165 38.545 38.487 -0.178 0.000 1.040 330 N HN 0.247 nan 8.380 nan 0.000 0.494 331 S N 0.178 115.750 115.700 -0.213 0.000 2.382 331 S HA -0.127 4.342 4.470 -0.001 0.000 0.228 331 S C 1.307 175.894 174.600 -0.022 0.000 1.027 331 S CA 0.747 58.885 58.200 -0.103 0.000 0.991 331 S CB -0.228 62.904 63.200 -0.114 0.000 0.823 331 S HN 0.496 nan 8.310 nan 0.000 0.469 332 F N 2.101 121.942 119.950 -0.183 0.000 2.069 332 F HA -0.113 4.414 4.527 -0.001 0.000 0.298 332 F C 1.823 177.610 175.800 -0.021 0.000 1.113 332 F CA 1.511 59.445 58.000 -0.111 0.000 1.214 332 F CB -0.283 38.583 39.000 -0.223 0.000 0.978 332 F HN 0.101 nan 8.300 nan 0.000 0.474 333 L N -0.184 121.156 121.223 0.194 0.000 2.156 333 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 333 L C 2.323 179.301 176.870 0.181 0.000 1.095 333 L CA 1.277 56.252 54.840 0.225 0.000 0.770 333 L CB -0.711 41.532 42.059 0.307 0.000 0.914 333 L HN 0.205 nan 8.230 nan 0.000 0.439 334 E N 0.404 120.652 120.200 0.080 0.000 2.077 334 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 334 E C 2.245 178.879 176.600 0.056 0.000 0.989 334 E CA 1.274 57.702 56.400 0.046 0.000 0.800 334 E CB -0.038 29.657 29.700 -0.010 0.000 0.746 334 E HN 0.468 nan 8.360 nan 0.000 0.452 335 I N 0.466 121.081 120.570 0.075 0.000 2.233 335 I HA -0.222 3.948 4.170 -0.001 0.000 0.243 335 I C 2.396 178.717 176.117 0.339 0.000 1.093 335 I CA 0.365 61.804 61.300 0.231 0.000 1.380 335 I CB -0.112 38.025 38.000 0.227 0.000 1.067 335 I HN 0.132 nan 8.210 nan 0.000 0.413 336 L N 0.196 121.444 121.223 0.040 0.000 2.043 336 L HA -0.261 4.078 4.340 -0.001 0.000 0.212 336 L C 2.126 179.032 176.870 0.059 0.000 1.075 336 L CA 2.166 56.965 54.840 -0.067 0.000 0.752 336 L CB -0.706 41.046 42.059 -0.512 0.000 0.891 336 L HN 0.190 nan 8.230 nan 0.000 0.432 337 Y N -1.096 119.272 120.300 0.112 0.000 2.510 337 Y HA 0.245 4.794 4.550 -0.001 0.000 0.273 337 Y C 2.316 178.208 175.900 -0.014 0.000 1.119 337 Y CA 0.641 58.778 58.100 0.062 0.000 1.286 337 Y CB -0.344 38.121 38.460 0.008 0.000 1.061 337 Y HN 0.213 nan 8.280 nan 0.000 0.542 338 G N -1.847 106.980 108.800 0.047 0.000 2.777 338 G HA2 0.011 3.971 3.960 -0.001 0.000 0.211 338 G HA3 0.011 3.971 3.960 -0.001 0.000 0.211 338 G C -0.241 174.329 174.900 -0.549 0.000 1.149 338 G CA 0.257 45.206 45.100 -0.251 0.000 0.785 338 G HN 0.219 nan 8.290 nan 0.000 0.536 339 Y N -0.522 119.662 120.300 -0.193 0.000 2.602 339 Y HA 0.548 5.098 4.550 -0.001 0.000 0.342 339 Y C -0.057 175.476 175.900 -0.611 0.000 1.029 339 Y CA -1.315 56.481 58.100 -0.506 0.000 1.080 339 Y CB 1.509 39.401 38.460 -0.945 0.000 1.284 339 Y HN -0.184 nan 8.280 nan 0.000 0.485 340 E N 0.682 120.636 120.200 -0.409 0.000 2.248 340 E HA 0.226 4.576 4.350 -0.001 0.000 0.272 340 E C -1.630 174.650 176.600 -0.533 0.000 1.008 340 E CA -0.538 55.660 56.400 -0.336 0.000 0.856 340 E CB 1.379 31.005 29.700 -0.124 0.000 1.120 340 E HN 0.543 nan 8.360 nan 0.000 0.397 341 W N 1.060 122.373 121.300 0.022 0.000 2.736 341 W HA 0.315 4.975 4.660 -0.001 0.000 0.335 341 W C 0.255 176.878 176.519 0.172 0.000 1.059 341 W CA -0.695 56.691 57.345 0.069 0.000 1.226 341 W CB 1.207 30.653 29.460 -0.022 0.000 1.416 341 W HN 0.349 nan 8.180 nan 0.000 0.505 342 E N 2.041 122.512 120.200 0.453 0.000 2.288 342 E HA 0.563 4.912 4.350 -0.001 0.000 0.268 342 E C -1.166 175.542 176.600 0.180 0.000 0.885 342 E CA -1.035 55.550 56.400 0.307 0.000 0.767 342 E CB 1.995 31.773 29.700 0.129 0.000 1.220 342 E HN 0.419 nan 8.360 nan 0.000 0.427 343 L N 1.945 123.110 121.223 -0.096 0.000 2.490 343 L HA 0.170 4.509 4.340 -0.001 0.000 0.274 343 L C 0.268 177.080 176.870 -0.097 0.000 1.201 343 L CA 0.768 55.353 54.840 -0.426 0.000 0.869 343 L CB 1.020 42.802 42.059 -0.463 0.000 1.123 343 L HN 0.777 nan 8.230 nan 0.000 0.484 344 T N 3.573 118.109 114.554 -0.029 0.000 2.696 344 T HA 0.460 4.809 4.350 -0.001 0.000 0.291 344 T C -1.218 173.568 174.700 0.142 0.000 1.095 344 T CA -0.733 61.417 62.100 0.084 0.000 1.026 344 T CB 1.575 70.462 68.868 0.032 0.000 1.390 344 T HN 0.486 nan 8.240 nan 0.000 0.513 345 K N 1.300 121.712 120.400 0.020 0.000 2.371 345 K HA 0.584 4.903 4.320 -0.001 0.000 0.251 345 K C -0.258 176.286 176.600 -0.093 0.000 0.934 345 K CA -0.776 55.453 56.287 -0.096 0.000 0.798 345 K CB 1.934 34.297 32.500 -0.229 0.000 1.204 345 K HN 0.743 nan 8.250 nan 0.000 0.427 346 S N 1.319 116.950 115.700 -0.114 0.000 2.624 346 S HA 0.212 4.681 4.470 -0.001 0.000 0.263 346 S C -1.791 172.736 174.600 -0.122 0.000 1.287 346 S CA -0.934 57.202 58.200 -0.107 0.000 0.990 346 S CB 0.690 63.827 63.200 -0.105 0.000 0.950 346 S HN 0.331 nan 8.310 nan 0.000 0.561 347 P HA 0.021 nan 4.420 nan 0.000 0.220 347 P C 0.895 178.099 177.300 -0.160 0.000 1.144 347 P CA 1.591 64.613 63.100 -0.130 0.000 0.800 347 P CB -0.172 31.445 31.700 -0.137 0.000 0.772 348 A N -1.443 121.280 122.820 -0.162 0.000 2.275 348 A HA 0.502 4.822 4.320 -0.001 0.000 0.212 348 A C 1.557 179.046 177.584 -0.159 0.000 1.201 348 A CA 0.601 52.543 52.037 -0.159 0.000 0.843 348 A CB -0.898 18.017 19.000 -0.142 0.000 0.873 348 A HN 0.223 nan 8.150 nan 0.000 0.492 349 G N -1.785 106.904 108.800 -0.185 0.000 2.132 349 G HA2 0.121 4.081 3.960 -0.001 0.000 0.234 349 G HA3 0.121 4.081 3.960 -0.001 0.000 0.234 349 G C 0.335 175.030 174.900 -0.341 0.000 0.989 349 G CA 0.227 45.173 45.100 -0.256 0.000 0.676 349 G HN 1.534 nan 8.290 nan 0.000 0.522 350 A N -0.463 122.209 122.820 -0.248 0.000 2.327 350 A HA 0.626 4.945 4.320 -0.001 0.000 0.283 350 A C 0.298 177.773 177.584 -0.183 0.000 1.127 350 A CA -0.460 51.450 52.037 -0.212 0.000 0.810 350 A CB 0.428 19.377 19.000 -0.085 0.000 1.066 350 A HN 0.614 nan 8.150 nan 0.000 0.492 351 W N 1.024 122.290 121.300 -0.057 0.000 2.210 351 W HA 0.420 5.079 4.660 -0.001 0.000 0.330 351 W C 0.856 177.318 176.519 -0.094 0.000 1.334 351 W CA 0.212 57.500 57.345 -0.096 0.000 1.227 351 W CB 0.551 29.961 29.460 -0.084 0.000 1.178 351 W HN 0.828 nan 8.180 nan 0.000 0.560 352 Q N 1.538 121.427 119.800 0.149 0.000 2.630 352 Q HA 0.468 4.807 4.340 -0.001 0.000 0.295 352 Q C -1.950 173.994 176.000 -0.093 0.000 0.944 352 Q CA -1.248 54.586 55.803 0.052 0.000 0.766 352 Q CB 1.775 30.527 28.738 0.023 0.000 1.471 352 Q HN 0.481 nan 8.270 nan 0.000 0.416 353 Y N -0.078 120.244 120.300 0.037 0.000 2.420 353 Y HA 0.686 5.236 4.550 -0.001 0.000 0.334 353 Y C -0.007 176.007 175.900 0.190 0.000 1.094 353 Y CA -0.293 57.863 58.100 0.094 0.000 1.126 353 Y CB 2.718 41.187 38.460 0.015 0.000 1.217 353 Y HN 0.719 nan 8.280 nan 0.000 0.462 354 T N 1.516 116.332 114.554 0.437 0.000 2.906 354 T HA 0.729 5.078 4.350 -0.001 0.000 0.295 354 T C -0.905 173.939 174.700 0.240 0.000 1.061 354 T CA -0.700 61.613 62.100 0.354 0.000 1.000 354 T CB 0.690 69.625 68.868 0.111 0.000 1.103 354 T HN 0.819 nan 8.240 nan 0.000 0.486 355 A N 3.715 126.431 122.820 -0.173 0.000 2.540 355 A HA 0.348 4.667 4.320 -0.001 0.000 0.239 355 A C 0.484 177.903 177.584 -0.275 0.000 1.061 355 A CA 0.245 51.909 52.037 -0.622 0.000 0.758 355 A CB -0.129 18.298 19.000 -0.954 0.000 0.991 355 A HN 0.840 nan 8.150 nan 0.000 0.502 356 K N 1.178 121.438 120.400 -0.233 0.000 2.276 356 K HA 0.137 4.457 4.320 -0.001 0.000 0.259 356 K C -0.254 176.292 176.600 -0.089 0.000 1.001 356 K CA 0.160 56.384 56.287 -0.105 0.000 0.927 356 K CB 0.214 32.667 32.500 -0.078 0.000 0.969 356 K HN 0.767 nan 8.250 nan 0.000 0.490 357 D N 0.472 120.840 120.400 -0.054 0.000 2.945 357 D HA -0.173 4.466 4.640 -0.001 0.000 0.225 357 D C 0.656 176.929 176.300 -0.045 0.000 1.158 357 D CA 1.385 55.361 54.000 -0.041 0.000 0.805 357 D CB -1.502 39.277 40.800 -0.036 0.000 1.098 357 D HN 1.019 nan 8.370 nan 0.000 0.426 358 G N -0.764 108.001 108.800 -0.059 0.000 2.187 358 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.261 358 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.261 358 G C 0.570 175.430 174.900 -0.067 0.000 1.000 358 G CA 1.009 46.072 45.100 -0.062 0.000 0.718 358 G HN 1.276 nan 8.290 nan 0.000 0.519 359 A N -0.423 122.354 122.820 -0.071 0.000 2.498 359 A HA 0.656 4.976 4.320 -0.001 0.000 0.239 359 A C 1.989 179.523 177.584 -0.083 0.000 1.068 359 A CA 1.439 53.474 52.037 -0.004 0.000 0.766 359 A CB -0.005 19.061 19.000 0.110 0.000 1.003 359 A HN 2.338 nan 8.150 nan 0.000 0.497 360 G N 0.508 109.342 108.800 0.057 0.000 2.179 360 G HA2 0.140 4.099 3.960 -0.001 0.000 0.257 360 G HA3 0.140 4.099 3.960 -0.001 0.000 0.257 360 G C 0.598 175.447 174.900 -0.084 0.000 1.010 360 G CA 0.514 45.615 45.100 0.002 0.000 0.736 360 G HN 2.250 nan 8.290 nan 0.000 0.513 361 A N -0.452 122.330 122.820 -0.064 0.000 2.540 361 A HA 0.606 4.925 4.320 -0.001 0.000 0.239 361 A C 2.121 179.683 177.584 -0.036 0.000 1.061 361 A CA 1.736 53.739 52.037 -0.058 0.000 0.758 361 A CB -0.139 18.835 19.000 -0.043 0.000 0.991 361 A HN 2.389 nan 8.150 nan 0.000 0.502 362 G N 1.616 110.394 108.800 -0.037 0.000 2.175 362 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.265 362 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.265 362 G C 0.925 175.816 174.900 -0.015 0.000 0.979 362 G CA 1.687 46.774 45.100 -0.022 0.000 0.663 362 G HN 2.042 nan 8.290 nan 0.000 0.533 363 T N -2.154 112.389 114.554 -0.018 0.000 3.067 363 T HA 0.475 4.824 4.350 -0.001 0.000 0.257 363 T C 0.977 175.674 174.700 -0.005 0.000 1.105 363 T CA 0.571 62.669 62.100 -0.003 0.000 1.104 363 T CB 0.391 69.271 68.868 0.021 0.000 0.925 363 T HN 0.296 nan 8.240 nan 0.000 0.498 364 I N 4.015 124.576 120.570 -0.015 0.000 2.321 364 I HA 0.418 4.587 4.170 -0.001 0.000 0.291 364 I C -2.479 173.646 176.117 0.014 0.000 0.998 364 I CA -3.505 57.788 61.300 -0.011 0.000 1.227 364 I CB 1.061 39.045 38.000 -0.026 0.000 1.368 364 I HN 0.014 nan 8.210 nan 0.000 0.466 365 P HA 0.124 nan 4.420 nan 0.000 0.275 365 P C -0.631 176.788 177.300 0.198 0.000 1.228 365 P CA -0.202 62.962 63.100 0.106 0.000 0.786 365 P CB 1.091 32.861 31.700 0.117 0.000 0.927 366 D N 2.929 123.392 120.400 0.104 0.000 2.302 366 D HA 0.130 4.769 4.640 -0.001 0.000 0.248 366 D C -1.048 175.104 176.300 -0.247 0.000 1.094 366 D CA -2.076 51.916 54.000 -0.012 0.000 0.897 366 D CB 0.741 41.529 40.800 -0.020 0.000 1.200 366 D HN 0.181 nan 8.370 nan 0.000 0.429 367 P HA -0.080 nan 4.420 nan 0.000 0.222 367 P C -0.041 176.471 177.300 -1.313 0.000 1.147 367 P CA 1.014 63.190 63.100 -1.540 0.000 0.790 367 P CB 0.091 31.109 31.700 -1.137 0.000 0.780 368 F N -1.253 118.504 119.950 -0.321 0.000 2.790 368 F HA 0.492 5.019 4.527 -0.001 0.000 0.371 368 F C 1.364 177.090 175.800 -0.122 0.000 1.293 368 F CA -0.063 57.816 58.000 -0.203 0.000 1.205 368 F CB 0.248 39.138 39.000 -0.183 0.000 1.047 368 F HN -0.033 nan 8.300 nan 0.000 0.510 369 G N 0.282 109.072 108.800 -0.017 0.000 2.143 369 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.249 369 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.249 369 G C 0.814 175.722 174.900 0.014 0.000 0.981 369 G CA -0.128 44.977 45.100 0.007 0.000 0.665 369 G HN 0.814 nan 8.290 nan 0.000 0.528 370 G N 0.284 109.093 108.800 0.015 0.000 2.570 370 G HA2 0.586 4.546 3.960 -0.001 0.000 0.276 370 G HA3 0.586 4.546 3.960 -0.001 0.000 0.276 370 G C -1.061 173.841 174.900 0.004 0.000 1.346 370 G CA -0.090 45.015 45.100 0.009 0.000 1.034 370 G HN 0.371 nan 8.290 nan 0.000 0.512 371 P HA 0.200 nan 4.420 nan 0.000 0.269 371 P C 0.596 177.895 177.300 -0.002 0.000 1.215 371 P CA 0.018 63.117 63.100 -0.002 0.000 0.780 371 P CB 0.395 32.091 31.700 -0.006 0.000 0.898 372 G N 2.515 111.314 108.800 -0.002 0.000 2.690 372 G HA2 0.238 4.197 3.960 -0.001 0.000 0.239 372 G HA3 0.238 4.197 3.960 -0.001 0.000 0.239 372 G C -0.124 174.767 174.900 -0.015 0.000 1.233 372 G CA -0.411 44.687 45.100 -0.003 0.000 0.847 372 G HN 0.502 nan 8.290 nan 0.000 0.588 373 R N -0.850 119.637 120.500 -0.021 0.000 2.930 373 R HA 0.567 4.907 4.340 -0.001 0.000 0.257 373 R C -0.297 175.969 176.300 -0.056 0.000 1.107 373 R CA -0.727 55.351 56.100 -0.037 0.000 0.999 373 R CB 1.697 31.973 30.300 -0.040 0.000 1.209 373 R HN 0.511 nan 8.270 nan 0.000 0.486 374 S N 1.538 117.194 115.700 -0.073 0.000 2.632 374 S HA 0.380 4.850 4.470 -0.001 0.000 0.271 374 S C -2.376 172.152 174.600 -0.121 0.000 1.260 374 S CA -1.135 56.996 58.200 -0.116 0.000 1.010 374 S CB 0.982 64.113 63.200 -0.115 0.000 0.965 374 S HN 0.325 nan 8.310 nan 0.000 0.534 375 P HA 0.197 nan 4.420 nan 0.000 0.268 375 P C -0.581 176.805 177.300 0.143 0.000 1.204 375 P CA -0.079 62.958 63.100 -0.106 0.000 0.768 375 P CB 0.331 31.752 31.700 -0.465 0.000 0.842 376 T N 0.246 114.887 114.554 0.144 0.000 2.903 376 T HA 0.817 5.167 4.350 -0.001 0.000 0.299 376 T C -0.619 173.975 174.700 -0.178 0.000 1.093 376 T CA -0.841 61.303 62.100 0.073 0.000 1.002 376 T CB 1.175 69.993 68.868 -0.084 0.000 1.127 376 T HN 0.115 nan 8.240 nan 0.000 0.488 377 M N 1.638 121.072 119.600 -0.277 0.000 2.575 377 M HA 0.481 4.960 4.480 -0.001 0.000 0.284 377 M C -1.407 174.864 176.300 -0.049 0.000 1.253 377 M CA -0.885 54.237 55.300 -0.297 0.000 0.861 377 M CB 2.142 34.243 32.600 -0.831 0.000 1.733 377 M HN 0.538 nan 8.290 nan 0.000 0.462 378 L N 0.970 122.264 121.223 0.119 0.000 2.439 378 L HA 0.438 4.777 4.340 -0.001 0.000 0.261 378 L C 1.509 178.481 176.870 0.170 0.000 1.153 378 L CA 0.555 55.511 54.840 0.193 0.000 0.808 378 L CB 0.509 42.743 42.059 0.291 0.000 1.126 378 L HN 0.977 nan 8.230 nan 0.000 0.460 379 A N 0.864 123.845 122.820 0.267 0.000 1.978 379 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 379 A C 1.908 179.533 177.584 0.070 0.000 1.170 379 A CA 2.110 54.283 52.037 0.227 0.000 0.636 379 A CB -0.930 18.246 19.000 0.295 0.000 0.810 379 A HN 0.897 nan 8.150 nan 0.000 0.448 380 T N -2.671 111.955 114.554 0.121 0.000 2.985 380 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 380 T C 1.282 176.010 174.700 0.047 0.000 1.076 380 T CA 1.184 63.344 62.100 0.100 0.000 1.135 380 T CB -0.288 68.681 68.868 0.169 0.000 0.890 380 T HN 0.376 nan 8.240 nan 0.000 0.480 381 D N 1.335 121.783 120.400 0.079 0.000 2.117 381 D HA 0.026 4.666 4.640 -0.001 0.000 0.198 381 D C 1.937 178.163 176.300 -0.123 0.000 0.982 381 D CA 0.638 54.679 54.000 0.068 0.000 0.828 381 D CB -0.252 40.644 40.800 0.161 0.000 0.967 381 D HN 0.263 nan 8.370 nan 0.000 0.464 382 L N 1.060 122.132 121.223 -0.250 0.000 2.191 382 L HA -0.105 4.234 4.340 -0.001 0.000 0.212 382 L C 2.382 179.133 176.870 -0.199 0.000 1.103 382 L CA 0.969 55.593 54.840 -0.361 0.000 0.769 382 L CB -0.464 41.251 42.059 -0.573 0.000 0.908 382 L HN -0.119 nan 8.230 nan 0.000 0.438 383 S N -0.457 115.183 115.700 -0.099 0.000 2.402 383 S HA -0.196 4.273 4.470 -0.001 0.000 0.233 383 S C 1.908 176.546 174.600 0.063 0.000 1.030 383 S CA 1.261 59.464 58.200 0.006 0.000 1.003 383 S CB -0.430 62.806 63.200 0.060 0.000 0.813 383 S HN 0.397 nan 8.310 nan 0.000 0.477 384 L N 0.953 122.155 121.223 -0.035 0.000 2.275 384 L HA -0.063 4.277 4.340 -0.001 0.000 0.215 384 L C 2.532 179.419 176.870 0.027 0.000 1.119 384 L CA 1.226 56.051 54.840 -0.026 0.000 0.790 384 L CB -0.364 41.651 42.059 -0.074 0.000 0.919 384 L HN 0.392 nan 8.230 nan 0.000 0.443 385 R N -1.506 118.946 120.500 -0.079 0.000 2.344 385 R HA 0.089 4.429 4.340 -0.001 0.000 0.209 385 R C 1.593 177.885 176.300 -0.014 0.000 0.886 385 R CA 0.200 56.252 56.100 -0.080 0.000 1.040 385 R CB 0.021 30.049 30.300 -0.453 0.000 1.114 385 R HN 0.019 nan 8.270 nan 0.000 0.547 386 V N 1.471 121.365 119.914 -0.034 0.000 2.426 386 V HA -0.087 4.033 4.120 -0.001 0.000 0.242 386 V C 0.976 177.072 176.094 0.003 0.000 1.036 386 V CA 1.137 63.424 62.300 -0.021 0.000 1.044 386 V CB -0.317 31.473 31.823 -0.054 0.000 0.688 386 V HN 0.371 nan 8.190 nan 0.000 0.462 387 D N 0.748 121.165 120.400 0.028 0.000 2.450 387 D HA -0.002 4.637 4.640 -0.001 0.000 0.247 387 D C -1.673 174.609 176.300 -0.030 0.000 1.162 387 D CA -1.254 52.738 54.000 -0.012 0.000 0.879 387 D CB 1.944 42.732 40.800 -0.020 0.000 1.163 387 D HN 0.079 nan 8.370 nan 0.000 0.472 388 P HA -0.134 nan 4.420 nan 0.000 0.215 388 P C 1.626 178.881 177.300 -0.075 0.000 1.157 388 P CA 0.994 64.063 63.100 -0.052 0.000 0.874 388 P CB 0.270 31.936 31.700 -0.058 0.000 0.790 389 I N -2.553 117.926 120.570 -0.152 0.000 2.202 389 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 389 I C 2.267 178.314 176.117 -0.116 0.000 1.091 389 I CA 1.476 62.669 61.300 -0.179 0.000 1.368 389 I CB -0.701 37.129 38.000 -0.284 0.000 1.058 389 I HN -0.084 nan 8.210 nan 0.000 0.410 390 Y N 0.693 120.942 120.300 -0.085 0.000 2.274 390 Y HA -0.202 4.347 4.550 -0.001 0.000 0.290 390 Y C 2.581 178.424 175.900 -0.095 0.000 1.145 390 Y CA 0.788 58.821 58.100 -0.111 0.000 1.203 390 Y CB -0.772 37.633 38.460 -0.093 0.000 0.984 390 Y HN 0.221 nan 8.280 nan 0.000 0.533 391 E N 0.825 121.087 120.200 0.104 0.000 2.077 391 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 391 E C 2.112 178.726 176.600 0.023 0.000 0.989 391 E CA 1.026 57.492 56.400 0.111 0.000 0.800 391 E CB 0.016 29.776 29.700 0.101 0.000 0.746 391 E HN 0.454 nan 8.360 nan 0.000 0.452 392 R N -0.042 120.435 120.500 -0.038 0.000 2.096 392 R HA -0.055 4.285 4.340 -0.001 0.000 0.235 392 R C 2.570 178.762 176.300 -0.180 0.000 1.127 392 R CA 1.230 57.277 56.100 -0.088 0.000 0.968 392 R CB -0.212 30.042 30.300 -0.077 0.000 0.861 392 R HN 0.240 nan 8.270 nan 0.000 0.440 393 I N 0.220 120.642 120.570 -0.247 0.000 2.202 393 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 393 I C 2.550 178.172 176.117 -0.825 0.000 1.091 393 I CA 1.715 62.680 61.300 -0.558 0.000 1.368 393 I CB -0.445 37.235 38.000 -0.534 0.000 1.058 393 I HN 0.316 nan 8.210 nan 0.000 0.410 394 T N -1.667 112.635 114.554 -0.420 0.000 2.942 394 T HA -0.052 4.297 4.350 -0.001 0.000 0.265 394 T C 2.032 176.712 174.700 -0.032 0.000 1.062 394 T CA 0.499 62.517 62.100 -0.137 0.000 1.139 394 T CB -0.264 68.708 68.868 0.173 0.000 0.883 394 T HN 0.212 nan 8.240 nan 0.000 0.468 395 R N 0.663 121.070 120.500 -0.155 0.000 2.092 395 R HA 0.050 4.389 4.340 -0.001 0.000 0.231 395 R C 2.773 178.964 176.300 -0.182 0.000 1.119 395 R CA 1.377 57.272 56.100 -0.341 0.000 0.970 395 R CB -0.285 29.819 30.300 -0.327 0.000 0.864 395 R HN 0.324 nan 8.270 nan 0.000 0.440 396 R N 0.371 120.792 120.500 -0.132 0.000 2.083 396 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 396 R C 1.697 178.115 176.300 0.196 0.000 1.137 396 R CA 1.684 57.794 56.100 0.017 0.000 0.951 396 R CB -0.395 29.862 30.300 -0.071 0.000 0.851 396 R HN 0.250 nan 8.270 nan 0.000 0.434 397 W N 0.154 121.489 121.300 0.059 0.000 2.467 397 W HA 0.031 4.691 4.660 -0.001 0.000 0.275 397 W C 1.747 178.262 176.519 -0.007 0.000 1.239 397 W CA 0.053 57.434 57.345 0.060 0.000 1.266 397 W CB -1.018 28.484 29.460 0.071 0.000 1.112 397 W HN 0.218 nan 8.180 nan 0.000 0.576 398 L N 1.202 122.511 121.223 0.143 0.000 2.079 398 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 398 L C 1.854 178.675 176.870 -0.081 0.000 1.081 398 L CA 2.157 57.000 54.840 0.005 0.000 0.752 398 L CB -0.681 41.285 42.059 -0.155 0.000 0.896 398 L HN -0.058 nan 8.230 nan 0.000 0.433 399 E N -1.833 118.266 120.200 -0.169 0.000 2.190 399 E HA 0.038 4.388 4.350 -0.001 0.000 0.191 399 E C 0.013 176.221 176.600 -0.653 0.000 0.978 399 E CA 0.564 56.698 56.400 -0.443 0.000 0.839 399 E CB 0.130 29.479 29.700 -0.584 0.000 0.787 399 E HN 0.547 nan 8.360 nan 0.000 0.473 400 H N 0.022 119.160 119.070 0.113 0.000 2.380 400 H HA 0.145 4.701 4.556 -0.001 0.000 0.231 400 H C -2.079 173.347 175.328 0.163 0.000 1.415 400 H CA -1.737 54.390 56.048 0.132 0.000 1.433 400 H CB 0.743 30.589 29.762 0.140 0.000 1.544 400 H HN 0.094 nan 8.280 nan 0.000 0.503 401 P HA -0.176 nan 4.420 nan 0.000 0.225 401 P C 1.521 178.895 177.300 0.124 0.000 1.148 401 P CA 0.988 64.153 63.100 0.107 0.000 0.779 401 P CB 0.438 32.163 31.700 0.041 0.000 0.780 402 E N 1.396 121.686 120.200 0.149 0.000 2.204 402 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 402 E C 1.468 178.132 176.600 0.107 0.000 0.989 402 E CA 1.177 57.663 56.400 0.143 0.000 0.824 402 E CB -0.782 28.994 29.700 0.127 0.000 0.756 402 E HN 0.357 nan 8.360 nan 0.000 0.477 403 E N 0.698 120.963 120.200 0.108 0.000 2.107 403 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 403 E C 2.255 178.707 176.600 -0.246 0.000 0.982 403 E CA 0.907 57.352 56.400 0.074 0.000 0.809 403 E CB -0.216 29.662 29.700 0.297 0.000 0.756 403 E HN 0.179 nan 8.360 nan 0.000 0.459 404 L N 1.257 122.135 121.223 -0.575 0.000 2.017 404 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 404 L C 2.263 179.013 176.870 -0.200 0.000 1.073 404 L CA 2.105 56.376 54.840 -0.949 0.000 0.745 404 L CB -0.594 41.056 42.059 -0.681 0.000 0.894 404 L HN 0.020 nan 8.230 nan 0.000 0.432 405 A N -0.733 122.184 122.820 0.162 0.000 1.902 405 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 405 A C 2.077 179.804 177.584 0.239 0.000 1.181 405 A CA 1.863 54.143 52.037 0.406 0.000 0.623 405 A CB -1.060 18.191 19.000 0.419 0.000 0.818 405 A HN 0.611 nan 8.150 nan 0.000 0.443 406 D N -0.494 119.970 120.400 0.106 0.000 2.084 406 D HA -0.154 4.486 4.640 -0.001 0.000 0.194 406 D C 1.915 178.266 176.300 0.085 0.000 0.990 406 D CA 1.548 55.597 54.000 0.082 0.000 0.826 406 D CB -0.102 40.741 40.800 0.073 0.000 0.971 406 D HN 0.377 nan 8.370 nan 0.000 0.453 407 E N -0.561 119.662 120.200 0.038 0.000 2.106 407 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 407 E C 2.015 178.687 176.600 0.121 0.000 0.984 407 E CA 0.403 56.842 56.400 0.064 0.000 0.806 407 E CB -0.507 29.223 29.700 0.051 0.000 0.750 407 E HN 0.393 nan 8.360 nan 0.000 0.458 408 F N 1.686 121.598 119.950 -0.065 0.000 2.146 408 F HA -0.040 4.487 4.527 -0.001 0.000 0.298 408 F C 2.203 178.105 175.800 0.169 0.000 1.096 408 F CA 1.022 59.003 58.000 -0.033 0.000 1.275 408 F CB -0.544 38.325 39.000 -0.217 0.000 1.008 408 F HN -0.044 nan 8.300 nan 0.000 0.480 409 A N 0.673 123.604 122.820 0.184 0.000 1.883 409 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 409 A C 2.334 179.983 177.584 0.109 0.000 1.186 409 A CA 2.039 54.178 52.037 0.170 0.000 0.624 409 A CB -0.733 18.344 19.000 0.129 0.000 0.822 409 A HN 0.443 nan 8.150 nan 0.000 0.444 410 K N -0.487 119.918 120.400 0.009 0.000 2.026 410 K HA -0.059 4.260 4.320 -0.001 0.000 0.208 410 K C 2.344 178.976 176.600 0.052 0.000 1.048 410 K CA 1.172 57.403 56.287 -0.094 0.000 0.929 410 K CB -0.334 32.113 32.500 -0.089 0.000 0.713 410 K HN 0.444 nan 8.250 nan 0.000 0.439 411 A N 1.469 124.338 122.820 0.081 0.000 1.898 411 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 411 A C 1.920 179.555 177.584 0.086 0.000 1.181 411 A CA 0.946 53.032 52.037 0.081 0.000 0.620 411 A CB -0.877 18.215 19.000 0.153 0.000 0.819 411 A HN 0.612 nan 8.150 nan 0.000 0.442 412 W N -0.543 120.684 121.300 -0.120 0.000 2.358 412 W HA -0.244 4.415 4.660 -0.001 0.000 0.303 412 W C 1.958 178.505 176.519 0.048 0.000 1.208 412 W CA 1.943 59.208 57.345 -0.133 0.000 1.274 412 W CB -0.507 28.674 29.460 -0.466 0.000 1.138 412 W HN 0.500 nan 8.180 nan 0.000 0.515 413 Y N 1.936 122.312 120.300 0.127 0.000 2.128 413 Y HA -0.295 4.254 4.550 -0.001 0.000 0.284 413 Y C 2.829 178.816 175.900 0.144 0.000 1.154 413 Y CA 3.190 61.428 58.100 0.229 0.000 1.149 413 Y CB -0.886 37.734 38.460 0.266 0.000 0.976 413 Y HN -0.095 nan 8.280 nan 0.000 0.505 414 K N -0.120 120.239 120.400 -0.069 0.000 2.032 414 K HA -0.249 4.070 4.320 -0.001 0.000 0.209 414 K C 2.156 178.370 176.600 -0.643 0.000 1.048 414 K CA 1.771 57.637 56.287 -0.701 0.000 0.927 414 K CB -0.617 31.375 32.500 -0.847 0.000 0.712 414 K HN 0.396 nan 8.250 nan 0.000 0.441 415 L N 1.905 122.880 121.223 -0.413 0.000 1.990 415 L HA -0.180 4.159 4.340 -0.001 0.000 0.213 415 L C 2.035 178.615 176.870 -0.482 0.000 1.072 415 L CA 1.948 56.571 54.840 -0.362 0.000 0.755 415 L CB -0.447 41.472 42.059 -0.232 0.000 0.889 415 L HN 0.443 nan 8.230 nan 0.000 0.432 416 I N -4.362 115.829 120.570 -0.632 0.000 3.564 416 I HA 0.010 4.180 4.170 -0.001 0.000 0.294 416 I C 0.995 176.579 176.117 -0.887 0.000 1.289 416 I CA 0.735 61.601 61.300 -0.723 0.000 1.325 416 I CB -0.542 36.983 38.000 -0.792 0.000 1.039 416 I HN 0.273 nan 8.210 nan 0.000 0.474 417 H N 0.680 119.433 119.070 -0.529 0.000 3.058 417 H HA 0.219 4.774 4.556 -0.001 0.000 0.266 417 H C 1.971 177.117 175.328 -0.304 0.000 1.135 417 H CA -0.189 55.582 56.048 -0.462 0.000 1.174 417 H CB 0.222 29.728 29.762 -0.426 0.000 1.581 417 H HN 0.238 nan 8.280 nan 0.000 0.553 418 R N 1.320 121.565 120.500 -0.424 0.000 2.127 418 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 418 R C 0.106 176.163 176.300 -0.405 0.000 1.134 418 R CA 1.998 57.790 56.100 -0.513 0.000 0.975 418 R CB -0.215 29.583 30.300 -0.838 0.000 0.865 418 R HN 0.368 nan 8.270 nan 0.000 0.447 419 D N -0.312 119.845 120.400 -0.406 0.000 2.368 419 D HA 0.028 4.667 4.640 -0.001 0.000 0.218 419 D C 1.476 177.688 176.300 -0.146 0.000 1.112 419 D CA -0.090 53.762 54.000 -0.246 0.000 0.834 419 D CB -0.001 40.686 40.800 -0.189 0.000 0.953 419 D HN 0.238 nan 8.370 nan 0.000 0.505 420 M N 0.341 119.858 119.600 -0.137 0.000 2.558 420 M HA 0.171 4.651 4.480 -0.001 0.000 0.255 420 M C 1.084 177.328 176.300 -0.093 0.000 1.113 420 M CA 0.841 56.042 55.300 -0.165 0.000 1.097 420 M CB 0.019 32.404 32.600 -0.358 0.000 1.426 420 M HN 0.299 nan 8.290 nan 0.000 0.488 421 G N 0.987 109.788 108.800 0.001 0.000 2.553 421 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.242 421 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.242 421 G C -2.673 172.269 174.900 0.071 0.000 1.277 421 G CA -1.143 43.962 45.100 0.007 0.000 0.910 421 G HN 0.186 nan 8.290 nan 0.000 0.576 422 P HA 0.210 nan 4.420 nan 0.000 0.263 422 P C 1.141 178.459 177.300 0.030 0.000 1.175 422 P CA 0.333 63.470 63.100 0.062 0.000 0.761 422 P CB 0.946 32.749 31.700 0.172 0.000 0.794 423 V N 3.639 123.484 119.914 -0.114 0.000 2.720 423 V HA -0.266 3.853 4.120 -0.001 0.000 0.256 423 V C 2.007 178.045 176.094 -0.094 0.000 1.082 423 V CA 2.433 64.520 62.300 -0.355 0.000 1.101 423 V CB -1.253 30.253 31.823 -0.528 0.000 0.693 423 V HN 0.694 nan 8.190 nan 0.000 0.479 424 A N -0.039 122.780 122.820 -0.001 0.000 2.032 424 A HA -0.248 4.071 4.320 -0.001 0.000 0.221 424 A C 2.267 179.907 177.584 0.093 0.000 1.165 424 A CA 1.888 53.958 52.037 0.054 0.000 0.645 424 A CB -0.527 18.531 19.000 0.097 0.000 0.807 424 A HN 0.619 nan 8.150 nan 0.000 0.453 425 R N -1.842 118.719 120.500 0.102 0.000 2.193 425 R HA 0.016 4.355 4.340 -0.001 0.000 0.213 425 R C -0.313 176.069 176.300 0.138 0.000 1.055 425 R CA 0.196 56.327 56.100 0.051 0.000 0.995 425 R CB -0.187 30.022 30.300 -0.152 0.000 0.893 425 R HN 0.655 nan 8.270 nan 0.000 0.459 426 Y N 1.539 121.803 120.300 -0.059 0.000 2.496 426 Y HA 0.137 4.687 4.550 -0.001 0.000 0.334 426 Y C 0.468 176.366 175.900 -0.004 0.000 1.080 426 Y CA -0.505 57.570 58.100 -0.042 0.000 1.355 426 Y CB 0.444 38.870 38.460 -0.057 0.000 1.193 426 Y HN -0.124 nan 8.280 nan 0.000 0.523 427 L N 2.778 124.092 121.223 0.151 0.000 2.319 427 L HA 0.883 5.223 4.340 -0.001 0.000 0.267 427 L C 0.346 177.332 176.870 0.194 0.000 1.011 427 L CA -0.834 54.079 54.840 0.121 0.000 0.818 427 L CB 2.091 44.177 42.059 0.044 0.000 1.316 427 L HN 0.886 nan 8.230 nan 0.000 0.432 428 G N 1.376 110.242 108.800 0.109 0.000 2.541 428 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.686 428 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.686 428 G C -2.578 172.390 174.900 0.114 0.000 1.286 428 G CA -0.428 44.736 45.100 0.106 0.000 0.894 428 G HN 0.484 nan 8.290 nan 0.000 0.575 429 P HA 0.183 nan 4.420 nan 0.000 0.249 429 P C 1.412 178.778 177.300 0.111 0.000 1.229 429 P CA 0.524 63.669 63.100 0.076 0.000 0.788 429 P CB 0.100 31.828 31.700 0.045 0.000 1.072 430 L N -0.838 120.504 121.223 0.198 0.000 2.640 430 L HA 0.160 4.499 4.340 -0.001 0.000 0.230 430 L C 0.432 177.412 176.870 0.185 0.000 1.123 430 L CA -0.275 54.694 54.840 0.215 0.000 0.900 430 L CB 0.260 42.537 42.059 0.362 0.000 1.146 430 L HN -0.290 nan 8.230 nan 0.000 0.484 431 V N 2.994 123.002 119.914 0.157 0.000 2.479 431 V HA 0.105 4.224 4.120 -0.001 0.000 0.281 431 V C -1.524 174.567 176.094 -0.004 0.000 1.031 431 V CA -1.178 61.198 62.300 0.127 0.000 1.038 431 V CB -0.003 31.898 31.823 0.130 0.000 0.981 431 V HN 0.123 nan 8.190 nan 0.000 0.478 432 P HA 0.245 nan 4.420 nan 0.000 0.272 432 P C 0.125 177.316 177.300 -0.182 0.000 1.230 432 P CA -0.545 62.391 63.100 -0.274 0.000 0.788 432 P CB 1.374 32.686 31.700 -0.647 0.000 0.949 433 K N -0.199 120.093 120.400 -0.180 0.000 2.167 433 K HA -0.048 4.271 4.320 -0.001 0.000 0.203 433 K C 1.236 177.774 176.600 -0.103 0.000 1.052 433 K CA 0.832 57.047 56.287 -0.121 0.000 0.956 433 K CB -0.328 32.111 32.500 -0.101 0.000 0.735 433 K HN 0.496 nan 8.250 nan 0.000 0.451 434 Q N 1.538 121.280 119.800 -0.097 0.000 2.255 434 Q HA -0.021 4.319 4.340 -0.001 0.000 0.280 434 Q C -0.576 175.409 176.000 -0.026 0.000 1.068 434 Q CA 0.011 55.806 55.803 -0.013 0.000 0.911 434 Q CB 0.514 29.326 28.738 0.123 0.000 1.157 434 Q HN 0.264 nan 8.270 nan 0.000 0.380 435 T N 1.831 116.343 114.554 -0.069 0.000 2.904 435 T HA 0.555 4.904 4.350 -0.001 0.000 0.290 435 T C -0.188 174.421 174.700 -0.151 0.000 1.018 435 T CA -0.691 61.326 62.100 -0.138 0.000 1.075 435 T CB 0.658 69.446 68.868 -0.133 0.000 0.986 435 T HN 0.493 nan 8.240 nan 0.000 0.523 436 L N 3.064 124.107 121.223 -0.301 0.000 2.381 436 L HA 0.448 4.788 4.340 -0.001 0.000 0.268 436 L C 1.081 177.709 176.870 -0.402 0.000 0.997 436 L CA -1.117 53.500 54.840 -0.372 0.000 0.818 436 L CB 1.896 43.588 42.059 -0.612 0.000 1.310 436 L HN 0.592 nan 8.230 nan 0.000 0.416 437 L N 2.872 123.988 121.223 -0.177 0.000 2.079 437 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 437 L C 2.058 178.932 176.870 0.007 0.000 1.081 437 L CA 1.869 56.686 54.840 -0.038 0.000 0.752 437 L CB -0.505 41.596 42.059 0.070 0.000 0.896 437 L HN 0.796 nan 8.230 nan 0.000 0.433 438 W N -0.964 120.371 121.300 0.058 0.000 2.525 438 W HA -0.130 4.530 4.660 -0.001 0.000 0.259 438 W C 1.299 177.837 176.519 0.031 0.000 1.253 438 W CA 0.344 57.717 57.345 0.047 0.000 1.262 438 W CB -1.094 28.388 29.460 0.037 0.000 1.122 438 W HN 0.345 nan 8.180 nan 0.000 0.607 439 Q N 1.027 120.565 119.800 -0.437 0.000 2.415 439 Q HA -0.046 4.293 4.340 -0.001 0.000 0.206 439 Q C -0.335 175.607 176.000 -0.096 0.000 0.946 439 Q CA 0.380 55.967 55.803 -0.360 0.000 0.951 439 Q CB -0.364 27.977 28.738 -0.661 0.000 1.026 439 Q HN 0.073 nan 8.270 nan 0.000 0.510 440 D N 1.513 121.923 120.400 0.017 0.000 2.802 440 D HA -0.140 4.500 4.640 -0.001 0.000 0.229 440 D C -2.385 173.962 176.300 0.078 0.000 1.203 440 D CA 0.542 54.633 54.000 0.151 0.000 0.712 440 D CB -0.751 40.203 40.800 0.258 0.000 0.973 440 D HN 0.314 nan 8.370 nan 0.000 0.407 441 P HA 0.251 nan 4.420 nan 0.000 0.274 441 P C 0.026 177.327 177.300 0.002 0.000 1.237 441 P CA -0.451 62.629 63.100 -0.033 0.000 0.793 441 P CB 1.297 32.949 31.700 -0.079 0.000 0.977 442 V N -1.849 118.063 119.914 -0.003 0.000 2.914 442 V HA 0.638 4.758 4.120 -0.001 0.000 0.314 442 V C -2.732 173.359 176.094 -0.005 0.000 1.084 442 V CA -2.934 59.370 62.300 0.007 0.000 0.963 442 V CB 0.851 32.688 31.823 0.024 0.000 1.025 442 V HN 0.311 nan 8.190 nan 0.000 0.432 443 P HA 0.378 nan 4.420 nan 0.000 0.268 443 P C -0.078 177.221 177.300 -0.001 0.000 1.208 443 P CA 0.278 63.378 63.100 -0.001 0.000 0.777 443 P CB 0.332 32.040 31.700 0.013 0.000 0.875 444 A N 2.043 124.856 122.820 -0.010 0.000 2.366 444 A HA 0.224 4.543 4.320 -0.001 0.000 0.249 444 A C -0.019 177.564 177.584 -0.001 0.000 1.084 444 A CA -0.461 51.569 52.037 -0.012 0.000 0.794 444 A CB -0.038 18.947 19.000 -0.025 0.000 1.034 444 A HN 0.396 nan 8.150 nan 0.000 0.491 445 V N 2.171 122.086 119.914 0.001 0.000 2.485 445 V HA 0.116 4.235 4.120 -0.001 0.000 0.287 445 V C 1.367 177.454 176.094 -0.012 0.000 1.022 445 V CA 1.302 63.611 62.300 0.015 0.000 1.067 445 V CB 0.600 32.433 31.823 0.016 0.000 0.967 445 V HN 1.114 nan 8.190 nan 0.000 0.479 446 S N 3.170 118.860 115.700 -0.016 0.000 2.559 446 S HA 0.275 4.744 4.470 -0.001 0.000 0.226 446 S C 0.451 174.805 174.600 -0.411 0.000 1.000 446 S CA -0.309 57.786 58.200 -0.174 0.000 0.948 446 S CB 0.171 63.263 63.200 -0.180 0.000 0.870 446 S HN 0.786 nan 8.310 nan 0.000 0.497 447 H N 0.562 119.647 119.070 0.025 0.000 2.941 447 H HA 0.437 4.992 4.556 -0.001 0.000 0.344 447 H C -1.261 174.088 175.328 0.035 0.000 1.235 447 H CA -0.806 55.261 56.048 0.031 0.000 1.149 447 H CB 0.851 30.638 29.762 0.043 0.000 1.885 447 H HN 0.160 nan 8.280 nan 0.000 0.558 448 D N 1.348 121.856 120.400 0.181 0.000 2.414 448 D HA 0.119 4.759 4.640 -0.001 0.000 0.242 448 D C 0.388 176.765 176.300 0.128 0.000 1.129 448 D CA 0.101 54.170 54.000 0.116 0.000 0.885 448 D CB 0.994 41.851 40.800 0.095 0.000 1.198 448 D HN 0.174 nan 8.370 nan 0.000 0.437 449 L N 1.284 122.564 121.223 0.096 0.000 2.375 449 L HA 0.187 4.526 4.340 -0.001 0.000 0.271 449 L C 0.492 177.430 176.870 0.113 0.000 1.107 449 L CA -1.144 53.753 54.840 0.096 0.000 0.806 449 L CB 1.014 43.106 42.059 0.056 0.000 1.146 449 L HN 0.196 nan 8.230 nan 0.000 0.447 450 V N 0.065 120.057 119.914 0.131 0.000 2.644 450 V HA 0.299 4.418 4.120 -0.001 0.000 0.305 450 V C 0.723 176.885 176.094 0.113 0.000 1.053 450 V CA -0.185 62.199 62.300 0.139 0.000 1.186 450 V CB -0.172 31.694 31.823 0.072 0.000 0.895 450 V HN 0.828 nan 8.190 nan 0.000 0.490 451 G N 2.194 111.059 108.800 0.109 0.000 2.642 451 G HA2 0.388 4.347 3.960 -0.001 0.000 0.291 451 G HA3 0.388 4.347 3.960 -0.001 0.000 0.291 451 G C 0.389 175.337 174.900 0.080 0.000 1.345 451 G CA 0.031 45.181 45.100 0.082 0.000 1.043 451 G HN 0.882 nan 8.290 nan 0.000 0.528 452 E N -0.912 119.326 120.200 0.064 0.000 2.114 452 E HA -0.223 4.126 4.350 -0.001 0.000 0.199 452 E C 2.613 179.244 176.600 0.051 0.000 1.008 452 E CA 1.660 58.093 56.400 0.056 0.000 0.810 452 E CB -0.172 29.554 29.700 0.043 0.000 0.739 452 E HN 0.446 nan 8.360 nan 0.000 0.456 453 A N 0.531 123.384 122.820 0.056 0.000 1.898 453 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 453 A C 1.904 179.533 177.584 0.074 0.000 1.181 453 A CA 1.604 53.675 52.037 0.057 0.000 0.620 453 A CB -0.374 18.660 19.000 0.056 0.000 0.819 453 A HN 0.189 nan 8.150 nan 0.000 0.442 454 E N 0.113 120.377 120.200 0.107 0.000 2.106 454 E HA -0.052 4.297 4.350 -0.001 0.000 0.192 454 E C 1.751 178.354 176.600 0.005 0.000 0.984 454 E CA 0.909 57.401 56.400 0.153 0.000 0.806 454 E CB -0.338 29.527 29.700 0.275 0.000 0.750 454 E HN 0.688 nan 8.360 nan 0.000 0.458 455 I N 0.709 121.277 120.570 -0.005 0.000 2.179 455 I HA -0.299 3.871 4.170 -0.001 0.000 0.242 455 I C 2.311 178.384 176.117 -0.073 0.000 1.088 455 I CA 1.165 62.427 61.300 -0.063 0.000 1.357 455 I CB -0.339 37.680 38.000 0.033 0.000 1.051 455 I HN 0.114 nan 8.210 nan 0.000 0.409 456 A N -0.238 122.571 122.820 -0.019 0.000 1.902 456 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 456 A C 2.491 180.064 177.584 -0.019 0.000 1.181 456 A CA 2.283 54.310 52.037 -0.016 0.000 0.623 456 A CB -0.883 18.121 19.000 0.007 0.000 0.818 456 A HN 0.424 nan 8.150 nan 0.000 0.443 457 S N -0.498 115.205 115.700 0.005 0.000 2.356 457 S HA -0.118 4.352 4.470 -0.001 0.000 0.223 457 S C 1.953 176.546 174.600 -0.011 0.000 1.032 457 S CA 1.563 59.779 58.200 0.026 0.000 1.005 457 S CB -0.480 62.779 63.200 0.098 0.000 0.867 457 S HN 0.477 nan 8.310 nan 0.000 0.449 458 L N 0.860 122.035 121.223 -0.080 0.000 2.093 458 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 458 L C 2.734 179.518 176.870 -0.144 0.000 1.085 458 L CA 1.229 55.974 54.840 -0.159 0.000 0.755 458 L CB -0.381 41.474 42.059 -0.339 0.000 0.904 458 L HN 0.289 nan 8.230 nan 0.000 0.435 459 K N -0.445 119.871 120.400 -0.140 0.000 2.026 459 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 459 K C 2.298 178.855 176.600 -0.072 0.000 1.048 459 K CA 1.676 57.892 56.287 -0.119 0.000 0.929 459 K CB -0.204 32.232 32.500 -0.106 0.000 0.713 459 K HN 0.178 nan 8.250 nan 0.000 0.439 460 S N 1.485 117.155 115.700 -0.049 0.000 2.359 460 S HA -0.189 4.280 4.470 -0.001 0.000 0.224 460 S C 1.980 176.566 174.600 -0.023 0.000 1.035 460 S CA 1.275 59.459 58.200 -0.028 0.000 1.018 460 S CB -0.202 62.991 63.200 -0.012 0.000 0.876 460 S HN 0.328 nan 8.310 nan 0.000 0.448 461 Q N 0.260 120.047 119.800 -0.022 0.000 2.084 461 Q HA -0.061 4.279 4.340 -0.001 0.000 0.202 461 Q C 2.156 178.143 176.000 -0.022 0.000 0.978 461 Q CA 1.261 57.057 55.803 -0.011 0.000 0.844 461 Q CB -0.364 28.376 28.738 0.004 0.000 0.898 461 Q HN 0.536 nan 8.270 nan 0.000 0.426 462 I N 0.186 120.729 120.570 -0.046 0.000 2.315 462 I HA -0.253 3.916 4.170 -0.001 0.000 0.248 462 I C 2.286 178.382 176.117 -0.034 0.000 1.117 462 I CA 1.040 62.312 61.300 -0.047 0.000 1.404 462 I CB -0.167 37.787 38.000 -0.077 0.000 1.071 462 I HN 0.104 nan 8.210 nan 0.000 0.419 463 R N 0.662 121.140 120.500 -0.036 0.000 2.148 463 R HA -0.051 4.288 4.340 -0.001 0.000 0.227 463 R C 2.143 178.433 176.300 -0.017 0.000 1.103 463 R CA 1.263 57.346 56.100 -0.028 0.000 0.983 463 R CB -0.285 29.997 30.300 -0.030 0.000 0.874 463 R HN 0.337 nan 8.270 nan 0.000 0.451 464 A N 0.678 123.490 122.820 -0.013 0.000 2.218 464 A HA -0.036 4.284 4.320 -0.001 0.000 0.209 464 A C 1.974 179.556 177.584 -0.003 0.000 1.168 464 A CA 0.803 52.836 52.037 -0.006 0.000 0.804 464 A CB -0.110 18.889 19.000 -0.003 0.000 0.834 464 A HN 0.339 nan 8.150 nan 0.000 0.482 465 S N -1.553 114.145 115.700 -0.004 0.000 2.481 465 S HA 0.286 4.755 4.470 -0.001 0.000 0.231 465 S C 1.585 176.187 174.600 0.004 0.000 0.996 465 S CA 1.297 59.498 58.200 0.002 0.000 0.942 465 S CB -0.348 62.852 63.200 0.001 0.000 0.768 465 S HN 1.797 nan 8.310 nan 0.000 0.520 466 G N 0.554 109.354 108.800 0.001 0.000 2.175 466 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.244 466 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.244 466 G C -0.043 174.859 174.900 0.004 0.000 0.982 466 G CA 0.120 45.221 45.100 0.002 0.000 0.641 466 G HN 0.538 nan 8.290 nan 0.000 0.527 467 L N 2.443 123.668 121.223 0.004 0.000 2.416 467 L HA 0.447 4.787 4.340 -0.001 0.000 0.272 467 L C 1.649 178.519 176.870 0.000 0.000 1.161 467 L CA 0.183 55.026 54.840 0.006 0.000 0.845 467 L CB 0.803 42.867 42.059 0.009 0.000 1.119 467 L HN 0.427 nan 8.230 nan 0.000 0.464 468 T N -0.514 114.042 114.554 0.003 0.000 2.788 468 T HA 0.169 4.518 4.350 -0.001 0.000 0.287 468 T C 1.284 175.979 174.700 -0.007 0.000 1.007 468 T CA -0.900 61.198 62.100 -0.003 0.000 1.005 468 T CB 1.406 70.274 68.868 -0.000 0.000 1.012 468 T HN 0.250 nan 8.240 nan 0.000 0.530 469 V N 1.361 121.263 119.914 -0.019 0.000 2.343 469 V HA -0.162 3.958 4.120 -0.001 0.000 0.247 469 V C 3.056 179.136 176.094 -0.023 0.000 1.051 469 V CA 2.390 64.670 62.300 -0.034 0.000 1.036 469 V CB -1.089 30.702 31.823 -0.052 0.000 0.654 469 V HN 1.114 nan 8.190 nan 0.000 0.451 470 S N -0.814 114.878 115.700 -0.014 0.000 2.359 470 S HA -0.318 4.151 4.470 -0.001 0.000 0.224 470 S C 2.040 176.660 174.600 0.033 0.000 1.035 470 S CA 2.248 60.450 58.200 0.002 0.000 1.018 470 S CB -0.258 62.943 63.200 0.000 0.000 0.876 470 S HN 0.701 nan 8.310 nan 0.000 0.448 471 Q N 0.178 119.997 119.800 0.031 0.000 2.061 471 Q HA -0.063 4.276 4.340 -0.001 0.000 0.204 471 Q C 2.362 178.402 176.000 0.065 0.000 0.984 471 Q CA 1.873 57.704 55.803 0.047 0.000 0.846 471 Q CB -0.310 28.448 28.738 0.034 0.000 0.902 471 Q HN 0.540 nan 8.270 nan 0.000 0.421 472 L N -0.471 120.781 121.223 0.048 0.000 2.027 472 L HA -0.155 4.184 4.340 -0.001 0.000 0.206 472 L C 2.343 179.287 176.870 0.123 0.000 1.074 472 L CA 0.647 55.523 54.840 0.059 0.000 0.745 472 L CB -0.418 41.652 42.059 0.018 0.000 0.898 472 L HN 0.091 nan 8.230 nan 0.000 0.433 473 V N -0.874 119.101 119.914 0.103 0.000 2.295 473 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 473 V C 2.606 178.909 176.094 0.349 0.000 1.049 473 V CA 2.013 64.421 62.300 0.180 0.000 1.024 473 V CB -0.380 31.443 31.823 -0.000 0.000 0.648 473 V HN 0.361 nan 8.190 nan 0.000 0.447 474 S N -0.130 115.709 115.700 0.232 0.000 2.359 474 S HA -0.227 4.243 4.470 -0.001 0.000 0.224 474 S C 2.081 176.856 174.600 0.292 0.000 1.035 474 S CA 2.133 60.492 58.200 0.265 0.000 1.018 474 S CB -0.469 62.834 63.200 0.172 0.000 0.876 474 S HN 0.716 nan 8.310 nan 0.000 0.448 475 T N 2.261 116.941 114.554 0.210 0.000 2.737 475 T HA -0.003 4.347 4.350 -0.001 0.000 0.265 475 T C 2.154 176.947 174.700 0.155 0.000 1.038 475 T CA 1.200 63.394 62.100 0.158 0.000 1.144 475 T CB -0.520 68.410 68.868 0.104 0.000 0.866 475 T HN 0.456 nan 8.240 nan 0.000 0.434 476 A N 1.208 124.156 122.820 0.213 0.000 1.933 476 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 476 A C 2.145 179.793 177.584 0.107 0.000 1.175 476 A CA 1.165 53.309 52.037 0.178 0.000 0.628 476 A CB -1.041 18.178 19.000 0.365 0.000 0.814 476 A HN 0.739 nan 8.150 nan 0.000 0.444 477 W N 0.766 122.135 121.300 0.115 0.000 2.355 477 W HA -0.192 4.468 4.660 -0.001 0.000 0.309 477 W C 2.336 178.866 176.519 0.018 0.000 1.206 477 W CA 2.017 59.370 57.345 0.014 0.000 1.284 477 W CB -0.378 29.190 29.460 0.179 0.000 1.145 477 W HN 0.428 nan 8.180 nan 0.000 0.502 478 A N 1.051 123.965 122.820 0.157 0.000 1.917 478 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 478 A C 2.153 179.721 177.584 -0.027 0.000 1.182 478 A CA 3.029 55.118 52.037 0.087 0.000 0.633 478 A CB -1.330 17.767 19.000 0.161 0.000 0.819 478 A HN 0.352 nan 8.150 nan 0.000 0.448 479 A N -0.485 122.305 122.820 -0.050 0.000 1.854 479 A HA 0.250 4.569 4.320 -0.001 0.000 0.214 479 A C 2.527 180.031 177.584 -0.135 0.000 1.192 479 A CA 2.046 54.040 52.037 -0.072 0.000 0.611 479 A CB -1.059 17.900 19.000 -0.068 0.000 0.832 479 A HN 1.072 nan 8.150 nan 0.000 0.442 480 A N 0.108 122.770 122.820 -0.263 0.000 1.929 480 A HA -0.008 4.312 4.320 -0.001 0.000 0.216 480 A C 2.347 179.685 177.584 -0.410 0.000 1.176 480 A CA 1.979 53.806 52.037 -0.350 0.000 0.628 480 A CB -0.834 17.868 19.000 -0.497 0.000 0.816 480 A HN 1.018 nan 8.150 nan 0.000 0.444 481 S N 0.474 115.781 115.700 -0.655 0.000 2.607 481 S HA -0.045 4.425 4.470 -0.001 0.000 0.224 481 S C 1.613 176.074 174.600 -0.232 0.000 0.969 481 S CA 1.032 58.808 58.200 -0.707 0.000 0.927 481 S CB -0.689 61.663 63.200 -1.413 0.000 0.772 481 S HN 0.784 nan 8.310 nan 0.000 0.533 482 S N 0.431 116.096 115.700 -0.059 0.000 2.515 482 S HA 0.136 4.605 4.470 -0.001 0.000 0.231 482 S C 0.279 174.962 174.600 0.139 0.000 0.987 482 S CA -0.576 57.708 58.200 0.139 0.000 0.936 482 S CB -0.864 62.502 63.200 0.277 0.000 0.766 482 S HN 0.570 nan 8.310 nan 0.000 0.528 483 F N 4.480 124.397 119.950 -0.055 0.000 2.518 483 F HA 0.370 4.897 4.527 -0.001 0.000 0.359 483 F C 0.520 176.302 175.800 -0.029 0.000 1.118 483 F CA -0.770 57.211 58.000 -0.032 0.000 1.287 483 F CB 0.682 39.636 39.000 -0.078 0.000 1.132 483 F HN 0.175 nan 8.300 nan 0.000 0.587 484 R N 4.045 124.104 120.500 -0.735 0.000 2.575 484 R HA 0.498 4.837 4.340 -0.001 0.000 0.293 484 R C 0.190 175.990 176.300 -0.833 0.000 0.983 484 R CA -0.563 55.225 56.100 -0.520 0.000 0.887 484 R CB 1.293 31.440 30.300 -0.255 0.000 1.184 484 R HN 0.773 nan 8.270 nan 0.000 0.445 485 G N 1.103 109.721 108.800 -0.304 0.000 2.848 485 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.208 485 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.208 485 G C 1.014 175.896 174.900 -0.030 0.000 1.152 485 G CA 0.509 45.594 45.100 -0.025 0.000 0.789 485 G HN 0.738 nan 8.290 nan 0.000 0.531 486 S N 1.765 117.411 115.700 -0.089 0.000 2.335 486 S HA -0.131 4.338 4.470 -0.001 0.000 0.216 486 S C 1.661 176.252 174.600 -0.015 0.000 1.032 486 S CA 1.510 59.689 58.200 -0.036 0.000 1.000 486 S CB -0.256 62.914 63.200 -0.049 0.000 0.928 486 S HN 0.414 nan 8.310 nan 0.000 0.434 487 D N 0.127 120.504 120.400 -0.037 0.000 2.395 487 D HA 0.199 4.839 4.640 -0.001 0.000 0.213 487 D C 0.096 176.347 176.300 -0.082 0.000 1.110 487 D CA -0.196 53.805 54.000 0.001 0.000 0.835 487 D CB -0.488 40.410 40.800 0.164 0.000 0.965 487 D HN 0.476 nan 8.370 nan 0.000 0.505 488 K N -0.189 120.088 120.400 -0.204 0.000 3.088 488 K HA -0.224 4.096 4.320 -0.001 0.000 0.273 488 K C -0.090 176.422 176.600 -0.147 0.000 1.111 488 K CA 0.569 56.729 56.287 -0.212 0.000 0.803 488 K CB -1.204 31.355 32.500 0.098 0.000 1.226 488 K HN 0.308 nan 8.250 nan 0.000 0.485 489 R N 0.265 120.621 120.500 -0.240 0.000 2.528 489 R HA 0.529 4.868 4.340 -0.001 0.000 0.271 489 R C 0.905 177.136 176.300 -0.115 0.000 1.056 489 R CA 0.282 56.310 56.100 -0.121 0.000 1.117 489 R CB 1.165 31.378 30.300 -0.146 0.000 1.085 489 R HN 0.331 nan 8.270 nan 0.000 0.530 490 G N -0.409 108.437 108.800 0.078 0.000 2.757 490 G HA2 0.212 4.172 3.960 -0.001 0.000 0.638 490 G HA3 0.212 4.172 3.960 -0.001 0.000 0.638 490 G C -0.100 175.001 174.900 0.336 0.000 1.344 490 G CA -0.507 44.726 45.100 0.222 0.000 0.855 490 G HN 1.102 nan 8.290 nan 0.000 0.537 491 G N -2.555 106.405 108.800 0.268 0.000 2.384 491 G HA2 0.534 4.493 3.960 -0.001 0.000 0.668 491 G HA3 0.534 4.493 3.960 -0.001 0.000 0.668 491 G C 0.772 175.706 174.900 0.057 0.000 1.280 491 G CA 0.960 46.157 45.100 0.162 0.000 0.992 491 G HN 2.411 nan 8.290 nan 0.000 0.512 492 A N -0.498 122.301 122.820 -0.035 0.000 2.132 492 A HA 0.373 4.692 4.320 -0.001 0.000 0.213 492 A C 1.168 178.738 177.584 -0.024 0.000 1.154 492 A CA 1.394 53.397 52.037 -0.057 0.000 0.753 492 A CB -0.260 18.669 19.000 -0.119 0.000 0.826 492 A HN 1.057 nan 8.150 nan 0.000 0.469 493 N N 0.019 118.717 118.700 -0.004 0.000 2.492 493 N HA 0.345 5.084 4.740 -0.001 0.000 0.262 493 N C 1.107 176.645 175.510 0.047 0.000 1.202 493 N CA 1.563 54.622 53.050 0.016 0.000 0.926 493 N CB 0.679 39.179 38.487 0.022 0.000 1.078 493 N HN 0.565 nan 8.380 nan 0.000 0.454 494 G N 1.734 110.560 108.800 0.043 0.000 2.284 494 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.216 494 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.216 494 G C 0.735 175.668 174.900 0.056 0.000 1.009 494 G CA 0.250 45.375 45.100 0.042 0.000 0.625 494 G HN 1.548 nan 8.290 nan 0.000 0.501 495 G N 0.014 108.861 108.800 0.079 0.000 2.249 495 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.273 495 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.273 495 G C 0.856 175.846 174.900 0.150 0.000 1.036 495 G CA 1.390 46.609 45.100 0.199 0.000 0.824 495 G HN 0.981 nan 8.290 nan 0.000 0.504 496 R N -0.912 119.583 120.500 -0.009 0.000 2.339 496 R HA 0.152 4.491 4.340 -0.001 0.000 0.199 496 R C 2.440 178.631 176.300 -0.182 0.000 1.018 496 R CA 0.702 56.706 56.100 -0.160 0.000 1.036 496 R CB -0.132 29.973 30.300 -0.326 0.000 0.899 496 R HN 0.512 nan 8.270 nan 0.000 0.473 497 I N 1.983 122.519 120.570 -0.056 0.000 2.423 497 I HA -0.272 3.897 4.170 -0.001 0.000 0.254 497 I C 2.080 178.163 176.117 -0.057 0.000 1.151 497 I CA 1.547 62.809 61.300 -0.062 0.000 1.421 497 I CB -0.023 38.001 38.000 0.041 0.000 1.079 497 I HN 0.079 nan 8.210 nan 0.000 0.431 498 R N -0.510 119.974 120.500 -0.026 0.000 2.300 498 R HA 0.206 4.545 4.340 -0.001 0.000 0.199 498 R C 0.271 176.466 176.300 -0.176 0.000 0.920 498 R CA 0.125 56.145 56.100 -0.132 0.000 1.046 498 R CB -0.398 29.698 30.300 -0.341 0.000 0.984 498 R HN 0.251 nan 8.270 nan 0.000 0.493 499 L N 1.115 122.221 121.223 -0.196 0.000 2.365 499 L HA 0.338 4.677 4.340 -0.001 0.000 0.267 499 L C 0.191 176.918 176.870 -0.239 0.000 1.033 499 L CA -1.460 53.255 54.840 -0.209 0.000 0.802 499 L CB 1.262 43.185 42.059 -0.227 0.000 1.267 499 L HN 0.041 nan 8.230 nan 0.000 0.457 500 Q N 2.017 121.703 119.800 -0.190 0.000 2.352 500 Q HA 0.152 4.492 4.340 -0.001 0.000 0.260 500 Q C -1.768 174.101 176.000 -0.219 0.000 0.976 500 Q CA -1.459 54.242 55.803 -0.170 0.000 0.881 500 Q CB 1.160 29.850 28.738 -0.079 0.000 1.235 500 Q HN 0.327 nan 8.270 nan 0.000 0.419 501 P HA 0.015 nan 4.420 nan 0.000 0.251 501 P C 0.536 177.445 177.300 -0.652 0.000 1.223 501 P CA 0.584 63.572 63.100 -0.187 0.000 0.796 501 P CB 0.557 32.350 31.700 0.155 0.000 1.068 502 Q N -0.105 119.102 119.800 -0.989 0.000 2.181 502 Q HA -0.093 4.247 4.340 -0.001 0.000 0.205 502 Q C 2.085 177.691 176.000 -0.657 0.000 0.980 502 Q CA 1.083 56.027 55.803 -1.431 0.000 0.862 502 Q CB -0.700 27.405 28.738 -1.054 0.000 0.905 502 Q HN 0.092 nan 8.270 nan 0.000 0.429 503 V N 0.015 119.703 119.914 -0.377 0.000 2.759 503 V HA -0.101 4.018 4.120 -0.001 0.000 0.256 503 V C 1.583 177.627 176.094 -0.083 0.000 1.080 503 V CA 1.946 64.142 62.300 -0.172 0.000 1.101 503 V CB -0.132 31.612 31.823 -0.132 0.000 0.698 503 V HN 0.470 nan 8.190 nan 0.000 0.477 504 G N -2.192 106.559 108.800 -0.082 0.000 3.159 504 G HA2 0.028 3.988 3.960 -0.001 0.000 0.232 504 G HA3 0.028 3.988 3.960 -0.001 0.000 0.232 504 G C 0.043 175.063 174.900 0.200 0.000 1.116 504 G CA -0.444 44.688 45.100 0.053 0.000 0.767 504 G HN 0.403 nan 8.290 nan 0.000 0.547 505 W N 1.683 123.000 121.300 0.029 0.000 2.257 505 W HA 0.275 4.935 4.660 -0.001 0.000 0.337 505 W C 1.205 177.730 176.519 0.009 0.000 1.321 505 W CA -0.912 56.444 57.345 0.019 0.000 1.267 505 W CB 0.845 30.308 29.460 0.005 0.000 1.187 505 W HN 0.208 nan 8.180 nan 0.000 0.565 506 E N 2.402 122.727 120.200 0.209 0.000 2.058 506 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 506 E C 1.913 178.533 176.600 0.034 0.000 0.997 506 E CA 1.813 58.298 56.400 0.141 0.000 0.801 506 E CB -0.495 29.297 29.700 0.153 0.000 0.746 506 E HN 0.250 nan 8.360 nan 0.000 0.450 507 V N 1.032 120.751 119.914 -0.325 0.000 2.469 507 V HA -0.253 3.866 4.120 -0.001 0.000 0.251 507 V C 1.241 177.348 176.094 0.022 0.000 1.064 507 V CA 2.312 64.265 62.300 -0.578 0.000 1.066 507 V CB -0.576 30.794 31.823 -0.755 0.000 0.667 507 V HN 0.325 nan 8.190 nan 0.000 0.461 508 N N 0.158 118.944 118.700 0.144 0.000 2.515 508 N HA -0.022 4.718 4.740 -0.001 0.000 0.185 508 N C 0.466 176.068 175.510 0.154 0.000 1.109 508 N CA 0.979 54.135 53.050 0.177 0.000 0.903 508 N CB -0.529 38.061 38.487 0.172 0.000 0.969 508 N HN 0.667 nan 8.380 nan 0.000 0.450 509 D N -0.537 119.968 120.400 0.176 0.000 3.278 509 D HA -0.113 4.526 4.640 -0.001 0.000 0.233 509 D C -1.659 174.696 176.300 0.093 0.000 1.149 509 D CA 0.044 54.130 54.000 0.144 0.000 0.957 509 D CB 0.239 41.088 40.800 0.082 0.000 0.913 509 D HN 0.208 nan 8.370 nan 0.000 0.409 510 P HA -0.065 nan 4.420 nan 0.000 0.225 510 P C 0.724 178.053 177.300 0.048 0.000 1.156 510 P CA 0.714 63.853 63.100 0.064 0.000 0.787 510 P CB 0.326 32.066 31.700 0.067 0.000 0.802 511 D N -0.383 120.047 120.400 0.051 0.000 2.347 511 D HA 0.060 4.699 4.640 -0.001 0.000 0.213 511 D C 1.653 177.968 176.300 0.024 0.000 0.985 511 D CA 0.515 54.536 54.000 0.036 0.000 0.879 511 D CB -0.369 40.455 40.800 0.040 0.000 0.919 511 D HN 0.144 nan 8.370 nan 0.000 0.526 512 G N 0.425 109.238 108.800 0.022 0.000 2.580 512 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.225 512 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.225 512 G C 0.582 175.494 174.900 0.020 0.000 1.521 512 G CA -0.201 44.906 45.100 0.011 0.000 1.068 512 G HN -0.083 nan 8.290 nan 0.000 0.564 513 D N -0.397 120.016 120.400 0.023 0.000 2.349 513 D HA -0.022 4.617 4.640 -0.001 0.000 0.224 513 D C 2.299 178.622 176.300 0.039 0.000 1.029 513 D CA -0.213 53.803 54.000 0.028 0.000 0.879 513 D CB 0.325 41.142 40.800 0.027 0.000 0.906 513 D HN 0.111 nan 8.370 nan 0.000 0.528 514 L N 1.397 122.647 121.223 0.045 0.000 2.013 514 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 514 L C 2.052 178.952 176.870 0.050 0.000 1.073 514 L CA 1.838 56.711 54.840 0.055 0.000 0.753 514 L CB -0.214 41.878 42.059 0.056 0.000 0.890 514 L HN -0.140 nan 8.230 nan 0.000 0.432 515 R N -0.639 119.881 120.500 0.032 0.000 2.115 515 R HA -0.161 4.179 4.340 -0.001 0.000 0.230 515 R C 2.326 178.641 176.300 0.025 0.000 1.111 515 R CA 1.285 57.397 56.100 0.020 0.000 0.976 515 R CB -0.353 29.951 30.300 0.006 0.000 0.870 515 R HN 0.438 nan 8.270 nan 0.000 0.445 516 K N 1.054 121.472 120.400 0.029 0.000 2.057 516 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 516 K C 1.911 178.538 176.600 0.044 0.000 1.050 516 K CA 1.204 57.509 56.287 0.030 0.000 0.935 516 K CB 0.125 32.640 32.500 0.025 0.000 0.715 516 K HN -0.017 nan 8.250 nan 0.000 0.439 517 V N 1.780 121.728 119.914 0.056 0.000 2.295 517 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 517 V C 2.354 178.519 176.094 0.118 0.000 1.049 517 V CA 1.696 64.040 62.300 0.073 0.000 1.024 517 V CB -0.357 31.510 31.823 0.073 0.000 0.648 517 V HN 0.304 nan 8.190 nan 0.000 0.447 518 I N -0.268 120.386 120.570 0.141 0.000 2.163 518 I HA -0.296 3.873 4.170 -0.001 0.000 0.243 518 I C 2.791 178.989 176.117 0.135 0.000 1.085 518 I CA 1.991 63.419 61.300 0.213 0.000 1.347 518 I CB -0.453 37.602 38.000 0.092 0.000 1.044 518 I HN 0.217 nan 8.210 nan 0.000 0.408 519 R N 0.448 120.982 120.500 0.056 0.000 2.083 519 R HA -0.181 4.159 4.340 -0.001 0.000 0.237 519 R C 2.290 178.622 176.300 0.052 0.000 1.137 519 R CA 2.282 58.399 56.100 0.028 0.000 0.951 519 R CB -0.372 29.936 30.300 0.013 0.000 0.851 519 R HN 0.301 nan 8.270 nan 0.000 0.434 520 T N 1.634 116.224 114.554 0.061 0.000 2.684 520 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 520 T C 1.823 176.567 174.700 0.074 0.000 1.036 520 T CA 1.480 63.613 62.100 0.055 0.000 1.148 520 T CB -0.149 68.744 68.868 0.043 0.000 0.863 520 T HN 0.198 nan 8.240 nan 0.000 0.436 521 L N 0.523 121.817 121.223 0.117 0.000 2.141 521 L HA -0.051 4.289 4.340 -0.001 0.000 0.209 521 L C 2.683 179.671 176.870 0.198 0.000 1.094 521 L CA 1.249 56.169 54.840 0.133 0.000 0.763 521 L CB -0.547 41.589 42.059 0.127 0.000 0.908 521 L HN 0.321 nan 8.230 nan 0.000 0.437 522 E N 0.113 120.443 120.200 0.218 0.000 2.106 522 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 522 E C 2.045 178.695 176.600 0.084 0.000 0.984 522 E CA 1.008 57.492 56.400 0.141 0.000 0.806 522 E CB 0.028 29.735 29.700 0.013 0.000 0.750 522 E HN 0.514 nan 8.360 nan 0.000 0.458 523 E N 0.553 120.792 120.200 0.066 0.000 2.077 523 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 523 E C 2.072 178.709 176.600 0.061 0.000 0.989 523 E CA 0.791 57.220 56.400 0.049 0.000 0.800 523 E CB -0.027 29.695 29.700 0.037 0.000 0.746 523 E HN 0.269 nan 8.360 nan 0.000 0.452 524 I N 1.048 121.657 120.570 0.066 0.000 2.315 524 I HA -0.277 3.892 4.170 -0.001 0.000 0.248 524 I C 2.761 178.939 176.117 0.102 0.000 1.117 524 I CA 0.995 62.335 61.300 0.068 0.000 1.404 524 I CB -0.197 37.821 38.000 0.031 0.000 1.071 524 I HN 0.167 nan 8.210 nan 0.000 0.419 525 Q N 1.093 120.954 119.800 0.102 0.000 2.050 525 Q HA -0.289 4.051 4.340 -0.001 0.000 0.202 525 Q C 2.150 178.234 176.000 0.141 0.000 0.980 525 Q CA 1.999 57.879 55.803 0.128 0.000 0.840 525 Q CB -0.060 28.761 28.738 0.139 0.000 0.898 525 Q HN 0.520 nan 8.270 nan 0.000 0.424 526 E N -0.342 119.915 120.200 0.095 0.000 2.038 526 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 526 E C 2.039 178.676 176.600 0.062 0.000 1.000 526 E CA 1.592 58.029 56.400 0.063 0.000 0.803 526 E CB -0.045 29.678 29.700 0.039 0.000 0.750 526 E HN 0.263 nan 8.360 nan 0.000 0.448 527 S N 0.249 115.993 115.700 0.073 0.000 2.359 527 S HA -0.196 4.274 4.470 -0.001 0.000 0.223 527 S C 1.587 176.233 174.600 0.077 0.000 1.039 527 S CA 1.473 59.712 58.200 0.064 0.000 1.042 527 S CB -0.600 62.643 63.200 0.071 0.000 0.915 527 S HN 0.421 nan 8.310 nan 0.000 0.439 528 F N 3.077 123.022 119.950 -0.008 0.000 2.134 528 F HA -0.144 4.382 4.527 -0.001 0.000 0.299 528 F C 1.956 177.744 175.800 -0.019 0.000 1.097 528 F CA 1.417 59.410 58.000 -0.012 0.000 1.264 528 F CB -0.388 38.606 39.000 -0.010 0.000 1.001 528 F HN 0.115 nan 8.300 nan 0.000 0.479 529 N N -0.037 118.710 118.700 0.077 0.000 2.216 529 N HA -0.115 4.624 4.740 -0.001 0.000 0.183 529 N C 1.968 177.409 175.510 -0.115 0.000 1.017 529 N CA 1.491 54.518 53.050 -0.039 0.000 0.861 529 N CB -0.536 37.976 38.487 0.041 0.000 0.986 529 N HN 0.253 nan 8.380 nan 0.000 0.428 530 S N 0.559 116.216 115.700 -0.071 0.000 2.371 530 S HA 0.069 4.538 4.470 -0.001 0.000 0.224 530 S C 2.054 176.594 174.600 -0.099 0.000 1.029 530 S CA 0.905 59.063 58.200 -0.070 0.000 0.978 530 S CB -0.186 62.993 63.200 -0.035 0.000 0.833 530 S HN 0.463 nan 8.310 nan 0.000 0.466 531 A N 1.989 124.736 122.820 -0.121 0.000 1.840 531 A HA 0.482 4.802 4.320 -0.001 0.000 0.214 531 A C 1.386 178.858 177.584 -0.186 0.000 1.198 531 A CA 0.838 52.799 52.037 -0.126 0.000 0.608 531 A CB -1.080 17.861 19.000 -0.098 0.000 0.839 531 A HN 0.518 nan 8.150 nan 0.000 0.443 532 A N 1.249 123.868 122.820 -0.335 0.000 2.522 532 A HA 0.449 4.769 4.320 -0.001 0.000 0.256 532 A C -1.032 176.407 177.584 -0.242 0.000 1.086 532 A CA -0.704 51.110 52.037 -0.371 0.000 0.763 532 A CB -0.287 18.272 19.000 -0.736 0.000 1.024 532 A HN 0.444 nan 8.150 nan 0.000 0.502 533 P HA 0.304 nan 4.420 nan 0.000 0.285 533 P C 1.129 178.376 177.300 -0.089 0.000 1.372 533 P CA 0.793 63.832 63.100 -0.101 0.000 0.764 533 P CB -0.415 31.244 31.700 -0.067 0.000 1.744 534 G N -0.134 108.636 108.800 -0.051 0.000 2.578 534 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.284 534 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.284 534 G C 0.380 175.275 174.900 -0.008 0.000 1.283 534 G CA 0.571 45.657 45.100 -0.024 0.000 0.944 534 G HN 0.771 nan 8.290 nan 0.000 0.558 535 N N -0.617 118.096 118.700 0.021 0.000 2.238 535 N HA 0.266 5.005 4.740 -0.001 0.000 0.235 535 N C 0.233 175.794 175.510 0.085 0.000 1.209 535 N CA -0.315 52.775 53.050 0.066 0.000 0.879 535 N CB 0.107 38.651 38.487 0.095 0.000 1.136 535 N HN 0.470 nan 8.380 nan 0.000 0.517 536 I N 1.952 122.549 120.570 0.045 0.000 2.371 536 I HA 0.177 4.347 4.170 -0.001 0.000 0.290 536 I C -0.126 176.041 176.117 0.084 0.000 1.028 536 I CA -0.017 61.343 61.300 0.099 0.000 1.345 536 I CB 0.852 38.936 38.000 0.141 0.000 1.407 536 I HN -0.152 nan 8.210 nan 0.000 0.501 537 K N 5.539 126.020 120.400 0.136 0.000 2.426 537 K HA 0.620 4.940 4.320 -0.001 0.000 0.251 537 K C -1.274 175.459 176.600 0.222 0.000 0.941 537 K CA -0.792 55.572 56.287 0.128 0.000 0.808 537 K CB 3.050 35.465 32.500 -0.142 0.000 1.265 537 K HN 0.281 nan 8.250 nan 0.000 0.432 538 V N 1.386 121.445 119.914 0.241 0.000 2.628 538 V HA 0.380 4.500 4.120 -0.001 0.000 0.306 538 V C -0.259 175.888 176.094 0.088 0.000 1.045 538 V CA -0.452 61.905 62.300 0.094 0.000 0.905 538 V CB 1.982 33.714 31.823 -0.150 0.000 0.997 538 V HN 0.961 nan 8.190 nan 0.000 0.436 539 S N 4.991 120.737 115.700 0.076 0.000 2.610 539 S HA 0.279 4.748 4.470 -0.001 0.000 0.273 539 S C 0.772 175.432 174.600 0.101 0.000 1.274 539 S CA -0.140 58.120 58.200 0.101 0.000 1.023 539 S CB 0.992 64.248 63.200 0.093 0.000 0.962 539 S HN 0.846 nan 8.310 nan 0.000 0.523 540 F N 2.459 122.412 119.950 0.006 0.000 2.161 540 F HA -0.047 4.479 4.527 -0.001 0.000 0.300 540 F C 2.299 178.098 175.800 -0.002 0.000 1.089 540 F CA 1.710 59.707 58.000 -0.006 0.000 1.282 540 F CB -0.922 38.072 39.000 -0.011 0.000 1.010 540 F HN 0.767 nan 8.300 nan 0.000 0.485 541 A N 0.139 122.943 122.820 -0.026 0.000 1.883 541 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 541 A C 1.998 179.505 177.584 -0.127 0.000 1.186 541 A CA 2.123 54.094 52.037 -0.111 0.000 0.624 541 A CB -1.126 17.891 19.000 0.029 0.000 0.822 541 A HN 0.458 nan 8.150 nan 0.000 0.444 542 D N -0.704 119.683 120.400 -0.022 0.000 2.178 542 D HA -0.069 4.570 4.640 -0.001 0.000 0.202 542 D C 1.722 178.005 176.300 -0.028 0.000 0.974 542 D CA 0.734 54.807 54.000 0.122 0.000 0.841 542 D CB -0.177 40.767 40.800 0.240 0.000 0.953 542 D HN 0.262 nan 8.370 nan 0.000 0.478 543 L N 0.130 121.240 121.223 -0.188 0.000 2.109 543 L HA -0.091 4.249 4.340 -0.001 0.000 0.207 543 L C 2.394 179.087 176.870 -0.295 0.000 1.086 543 L CA 0.804 55.483 54.840 -0.268 0.000 0.760 543 L CB -0.574 41.348 42.059 -0.228 0.000 0.910 543 L HN -0.078 nan 8.230 nan 0.000 0.437 544 V N -1.280 118.381 119.914 -0.421 0.000 2.287 544 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 544 V C 2.422 178.442 176.094 -0.124 0.000 1.053 544 V CA 1.754 63.855 62.300 -0.332 0.000 1.027 544 V CB -0.517 31.047 31.823 -0.431 0.000 0.646 544 V HN 0.239 nan 8.190 nan 0.000 0.447 545 V N -0.640 119.230 119.914 -0.073 0.000 2.307 545 V HA -0.202 3.918 4.120 -0.001 0.000 0.245 545 V C 2.337 178.461 176.094 0.050 0.000 1.045 545 V CA 1.845 64.181 62.300 0.060 0.000 1.024 545 V CB -0.585 31.332 31.823 0.158 0.000 0.651 545 V HN 0.478 nan 8.190 nan 0.000 0.449 546 L N 1.408 122.512 121.223 -0.200 0.000 2.131 546 L HA -0.039 4.300 4.340 -0.001 0.000 0.210 546 L C 2.316 179.055 176.870 -0.219 0.000 1.092 546 L CA 2.238 56.791 54.840 -0.478 0.000 0.759 546 L CB -1.314 40.226 42.059 -0.865 0.000 0.903 546 L HN 0.292 nan 8.230 nan 0.000 0.435 547 G N -1.149 107.567 108.800 -0.140 0.000 2.446 547 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 547 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 547 G C 1.547 176.447 174.900 0.000 0.000 1.168 547 G CA 0.617 45.674 45.100 -0.072 0.000 0.771 547 G HN 0.568 nan 8.290 nan 0.000 0.551 548 G N 0.219 109.086 108.800 0.112 0.000 2.446 548 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 548 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 548 G C 1.886 176.830 174.900 0.074 0.000 1.168 548 G CA 1.422 46.664 45.100 0.237 0.000 0.771 548 G HN 0.471 nan 8.290 nan 0.000 0.551 549 C N 0.967 120.361 119.300 0.157 0.000 2.429 549 C HA 0.194 4.653 4.460 -0.001 0.000 0.277 549 C C 3.545 178.504 174.990 -0.052 0.000 1.262 549 C CA 0.736 59.793 59.018 0.065 0.000 1.733 549 C CB -1.030 26.789 27.740 0.133 0.000 2.010 549 C HN 0.568 nan 8.230 nan 0.000 0.483 550 A N 0.628 123.406 122.820 -0.070 0.000 1.933 550 A HA 0.073 4.392 4.320 -0.001 0.000 0.218 550 A C 2.349 179.887 177.584 -0.077 0.000 1.175 550 A CA 2.063 54.053 52.037 -0.080 0.000 0.628 550 A CB -0.796 18.149 19.000 -0.093 0.000 0.814 550 A HN 0.583 nan 8.150 nan 0.000 0.444 551 A N -0.298 122.471 122.820 -0.084 0.000 1.929 551 A HA 0.020 4.339 4.320 -0.001 0.000 0.216 551 A C 2.073 179.579 177.584 -0.130 0.000 1.176 551 A CA 1.328 53.310 52.037 -0.092 0.000 0.628 551 A CB -0.509 18.443 19.000 -0.080 0.000 0.816 551 A HN 0.479 nan 8.150 nan 0.000 0.444 552 I N -0.419 120.036 120.570 -0.191 0.000 2.315 552 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 552 I C 2.421 178.456 176.117 -0.136 0.000 1.117 552 I CA 1.273 62.438 61.300 -0.225 0.000 1.404 552 I CB -0.329 37.456 38.000 -0.358 0.000 1.071 552 I HN 0.421 nan 8.210 nan 0.000 0.419 553 E N 0.704 120.845 120.200 -0.098 0.000 2.077 553 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 553 E C 2.182 178.756 176.600 -0.043 0.000 0.989 553 E CA 0.961 57.328 56.400 -0.055 0.000 0.800 553 E CB -0.060 29.615 29.700 -0.040 0.000 0.746 553 E HN 0.260 nan 8.360 nan 0.000 0.452 554 K N 0.804 121.173 120.400 -0.052 0.000 2.026 554 K HA -0.129 4.191 4.320 -0.001 0.000 0.208 554 K C 2.085 178.662 176.600 -0.039 0.000 1.048 554 K CA 1.278 57.541 56.287 -0.040 0.000 0.929 554 K CB -0.151 32.323 32.500 -0.043 0.000 0.713 554 K HN 0.084 nan 8.250 nan 0.000 0.439 555 A N 0.847 123.630 122.820 -0.062 0.000 1.969 555 A HA -0.046 4.274 4.320 -0.001 0.000 0.218 555 A C 2.300 179.862 177.584 -0.037 0.000 1.169 555 A CA 1.813 53.812 52.037 -0.064 0.000 0.635 555 A CB -0.499 18.434 19.000 -0.112 0.000 0.810 555 A HN 0.432 nan 8.150 nan 0.000 0.445 556 A N -0.180 122.618 122.820 -0.037 0.000 1.898 556 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 556 A C 2.134 179.771 177.584 0.087 0.000 1.181 556 A CA 1.858 53.909 52.037 0.023 0.000 0.620 556 A CB -0.423 18.574 19.000 -0.005 0.000 0.819 556 A HN 0.517 nan 8.150 nan 0.000 0.442 557 K N -0.258 120.165 120.400 0.038 0.000 2.057 557 K HA -0.080 4.240 4.320 -0.001 0.000 0.207 557 K C 2.095 178.705 176.600 0.015 0.000 1.049 557 K CA 1.121 57.424 56.287 0.026 0.000 0.931 557 K CB -0.317 32.188 32.500 0.007 0.000 0.714 557 K HN 0.364 nan 8.250 nan 0.000 0.440 558 A N 0.705 123.532 122.820 0.011 0.000 2.024 558 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 558 A C 1.968 179.564 177.584 0.020 0.000 1.164 558 A CA 1.831 53.872 52.037 0.007 0.000 0.643 558 A CB -0.448 18.552 19.000 -0.001 0.000 0.806 558 A HN 0.436 nan 8.150 nan 0.000 0.451 559 A N -1.751 121.102 122.820 0.054 0.000 2.379 559 A HA 0.462 4.781 4.320 -0.001 0.000 0.236 559 A C 1.462 179.053 177.584 0.012 0.000 1.272 559 A CA 0.889 52.981 52.037 0.091 0.000 0.886 559 A CB -0.905 18.209 19.000 0.189 0.000 0.962 559 A HN 1.876 nan 8.150 nan 0.000 0.504 560 G N -0.227 108.538 108.800 -0.058 0.000 2.212 560 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.255 560 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.255 560 G C -0.370 174.283 174.900 -0.412 0.000 1.062 560 G CA 0.396 45.377 45.100 -0.198 0.000 0.815 560 G HN 0.809 nan 8.290 nan 0.000 0.497 561 H N -0.578 118.496 119.070 0.007 0.000 2.744 561 H HA 0.462 5.017 4.556 -0.001 0.000 0.339 561 H C -0.123 175.203 175.328 -0.003 0.000 1.004 561 H CA -0.704 55.348 56.048 0.006 0.000 1.257 561 H CB 0.982 30.749 29.762 0.008 0.000 1.552 561 H HN 0.292 nan 8.280 nan 0.000 0.522 562 N N 3.762 122.519 118.700 0.095 0.000 2.521 562 N HA 0.340 5.079 4.740 -0.001 0.000 0.236 562 N C -0.959 174.585 175.510 0.057 0.000 1.067 562 N CA -0.182 52.901 53.050 0.055 0.000 0.939 562 N CB 1.186 39.691 38.487 0.029 0.000 1.201 562 N HN 0.427 nan 8.380 nan 0.000 0.511 563 I N 0.984 121.581 120.570 0.045 0.000 2.828 563 I HA 0.410 4.579 4.170 -0.001 0.000 0.302 563 I C -0.520 175.607 176.117 0.017 0.000 1.101 563 I CA -0.708 60.611 61.300 0.030 0.000 1.031 563 I CB 1.981 39.993 38.000 0.020 0.000 1.231 563 I HN 0.336 nan 8.210 nan 0.000 0.427 564 T N 3.876 118.441 114.554 0.019 0.000 2.770 564 T HA 0.551 4.900 4.350 -0.001 0.000 0.283 564 T C -0.524 174.193 174.700 0.029 0.000 0.988 564 T CA -0.616 61.496 62.100 0.020 0.000 0.957 564 T CB 1.112 69.994 68.868 0.024 0.000 0.930 564 T HN 0.235 nan 8.240 nan 0.000 0.443 565 V N 6.465 126.398 119.914 0.032 0.000 2.488 565 V HA 0.299 4.419 4.120 -0.001 0.000 0.277 565 V C -1.827 174.332 176.094 0.108 0.000 1.046 565 V CA -1.523 60.816 62.300 0.065 0.000 0.986 565 V CB 0.303 32.160 31.823 0.057 0.000 0.989 565 V HN 0.818 nan 8.190 nan 0.000 0.475 566 P HA 0.236 nan 4.420 nan 0.000 0.269 566 P C -0.973 176.448 177.300 0.201 0.000 1.215 566 P CA 0.024 63.191 63.100 0.112 0.000 0.780 566 P CB 0.291 32.024 31.700 0.056 0.000 0.898 567 F N 0.709 120.658 119.950 -0.002 0.000 2.588 567 F HA 0.407 4.933 4.527 -0.001 0.000 0.314 567 F C -1.232 174.547 175.800 -0.035 0.000 1.134 567 F CA -0.224 57.766 58.000 -0.016 0.000 0.961 567 F CB 1.511 40.504 39.000 -0.012 0.000 1.239 567 F HN 0.077 nan 8.300 nan 0.000 0.448 568 T N 7.774 121.782 114.554 -0.911 0.000 2.809 568 T HA 0.426 4.775 4.350 -0.001 0.000 0.296 568 T C -2.661 171.373 174.700 -1.110 0.000 1.015 568 T CA -1.192 60.459 62.100 -0.749 0.000 0.954 568 T CB 1.318 69.937 68.868 -0.415 0.000 0.950 568 T HN 0.345 nan 8.240 nan 0.000 0.450 569 P HA 0.499 nan 4.420 nan 0.000 0.277 569 P C 0.801 177.966 177.300 -0.226 0.000 1.271 569 P CA -0.047 62.801 63.100 -0.421 0.000 0.795 569 P CB 0.755 32.432 31.700 -0.039 0.000 1.101 570 G N -0.894 107.850 108.800 -0.094 0.000 2.260 570 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.179 570 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.179 570 G C 0.179 175.058 174.900 -0.036 0.000 1.002 570 G CA -0.546 44.521 45.100 -0.056 0.000 0.677 570 G HN 0.519 nan 8.290 nan 0.000 0.486 571 R N 1.557 122.033 120.500 -0.040 0.000 2.623 571 R HA 0.488 4.827 4.340 -0.001 0.000 0.271 571 R C 0.749 177.064 176.300 0.024 0.000 1.043 571 R CA 1.118 57.211 56.100 -0.012 0.000 1.083 571 R CB 0.431 30.722 30.300 -0.016 0.000 0.974 571 R HN 0.389 nan 8.270 nan 0.000 0.436 572 T N -1.805 112.768 114.554 0.032 0.000 2.940 572 T HA 0.324 4.674 4.350 -0.001 0.000 0.288 572 T C -0.662 174.074 174.700 0.061 0.000 1.045 572 T CA -1.185 60.944 62.100 0.050 0.000 1.018 572 T CB 1.672 70.564 68.868 0.040 0.000 1.151 572 T HN 0.285 nan 8.240 nan 0.000 0.529 573 D N 1.267 121.709 120.400 0.069 0.000 2.373 573 D HA 0.534 5.173 4.640 -0.001 0.000 0.227 573 D C 0.072 176.391 176.300 0.032 0.000 1.091 573 D CA -0.210 53.834 54.000 0.074 0.000 0.840 573 D CB 1.368 42.224 40.800 0.094 0.000 1.060 573 D HN 0.860 nan 8.370 nan 0.000 0.502 574 A N 2.241 125.070 122.820 0.015 0.000 2.386 574 A HA 0.429 4.748 4.320 -0.001 0.000 0.248 574 A C 0.812 178.375 177.584 -0.036 0.000 1.082 574 A CA -0.402 51.627 52.037 -0.012 0.000 0.789 574 A CB 0.332 19.316 19.000 -0.026 0.000 1.025 574 A HN 0.520 nan 8.150 nan 0.000 0.490 575 S N 0.673 116.351 115.700 -0.036 0.000 2.652 575 S HA 0.279 4.748 4.470 -0.001 0.000 0.270 575 S C 0.848 175.411 174.600 -0.062 0.000 1.243 575 S CA -0.002 58.170 58.200 -0.047 0.000 0.999 575 S CB 1.099 64.281 63.200 -0.030 0.000 0.973 575 S HN 0.734 nan 8.310 nan 0.000 0.544 576 Q N 0.711 120.471 119.800 -0.068 0.000 2.135 576 Q HA -0.147 4.192 4.340 -0.001 0.000 0.204 576 Q C 1.536 177.513 176.000 -0.039 0.000 0.981 576 Q CA 2.157 57.918 55.803 -0.070 0.000 0.856 576 Q CB -0.630 28.070 28.738 -0.063 0.000 0.902 576 Q HN 0.885 nan 8.270 nan 0.000 0.425 577 E N -0.177 120.009 120.200 -0.023 0.000 2.204 577 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 577 E C 1.471 178.075 176.600 0.007 0.000 0.990 577 E CA 1.128 57.526 56.400 -0.003 0.000 0.821 577 E CB -0.061 29.637 29.700 -0.002 0.000 0.750 577 E HN 0.494 nan 8.360 nan 0.000 0.477 578 Q N -0.195 119.603 119.800 -0.004 0.000 2.403 578 Q HA 0.104 4.443 4.340 -0.001 0.000 0.203 578 Q C -0.323 175.698 176.000 0.036 0.000 0.932 578 Q CA 0.450 56.259 55.803 0.010 0.000 0.945 578 Q CB 0.686 29.422 28.738 -0.003 0.000 1.045 578 Q HN 0.025 nan 8.270 nan 0.000 0.511 579 T N 0.969 115.530 114.554 0.012 0.000 2.991 579 T HA 0.062 4.412 4.350 -0.001 0.000 0.347 579 T C -0.960 173.790 174.700 0.084 0.000 1.122 579 T CA -0.688 61.407 62.100 -0.009 0.000 1.062 579 T CB 0.806 69.532 68.868 -0.236 0.000 1.043 579 T HN -0.006 nan 8.240 nan 0.000 0.491 580 D N 3.205 123.754 120.400 0.248 0.000 2.349 580 D HA 0.040 4.680 4.640 -0.001 0.000 0.266 580 D C 1.296 177.781 176.300 0.309 0.000 1.293 580 D CA -0.087 54.062 54.000 0.248 0.000 0.926 580 D CB 0.917 41.871 40.800 0.257 0.000 1.090 580 D HN 0.176 nan 8.370 nan 0.000 0.502 581 V N 4.206 124.235 119.914 0.191 0.000 2.343 581 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 581 V C 2.304 178.540 176.094 0.236 0.000 1.051 581 V CA 1.647 64.058 62.300 0.186 0.000 1.036 581 V CB -0.419 31.466 31.823 0.104 0.000 0.654 581 V HN 0.509 nan 8.190 nan 0.000 0.451 582 E N 0.037 120.352 120.200 0.192 0.000 2.072 582 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 582 E C 2.473 179.184 176.600 0.184 0.000 0.985 582 E CA 1.472 57.976 56.400 0.173 0.000 0.801 582 E CB -0.422 29.360 29.700 0.136 0.000 0.750 582 E HN 0.473 nan 8.360 nan 0.000 0.452 583 S N -1.169 114.650 115.700 0.198 0.000 2.368 583 S HA -0.117 4.352 4.470 -0.001 0.000 0.225 583 S C 1.640 176.300 174.600 0.099 0.000 1.030 583 S CA 0.951 59.236 58.200 0.142 0.000 0.999 583 S CB -0.438 62.845 63.200 0.138 0.000 0.844 583 S HN 0.345 nan 8.310 nan 0.000 0.459 584 F N 1.847 121.895 119.950 0.164 0.000 2.451 584 F HA 0.170 4.696 4.527 -0.001 0.000 0.299 584 F C 2.338 178.333 175.800 0.324 0.000 1.101 584 F CA 0.521 58.656 58.000 0.224 0.000 1.436 584 F CB -0.457 38.654 39.000 0.184 0.000 1.074 584 F HN 0.283 nan 8.300 nan 0.000 0.553 585 A N 0.079 123.119 122.820 0.367 0.000 1.940 585 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 585 A C 2.303 179.934 177.584 0.078 0.000 1.176 585 A CA 1.976 54.177 52.037 0.274 0.000 0.631 585 A CB -1.333 17.779 19.000 0.187 0.000 0.814 585 A HN 0.284 nan 8.150 nan 0.000 0.446 586 V N -2.254 117.677 119.914 0.029 0.000 2.913 586 V HA -0.075 4.045 4.120 -0.001 0.000 0.260 586 V C 1.931 177.916 176.094 -0.181 0.000 1.098 586 V CA 1.596 63.831 62.300 -0.109 0.000 1.121 586 V CB -0.916 30.852 31.823 -0.091 0.000 0.714 586 V HN 0.463 nan 8.190 nan 0.000 0.487 587 L N 0.338 121.520 121.223 -0.068 0.000 2.554 587 L HA 0.192 4.531 4.340 -0.001 0.000 0.226 587 L C 1.387 177.976 176.870 -0.467 0.000 1.137 587 L CA 0.422 55.221 54.840 -0.068 0.000 0.863 587 L CB -0.345 41.868 42.059 0.258 0.000 0.985 587 L HN 0.462 nan 8.230 nan 0.000 0.451 588 E N 2.536 122.187 120.200 -0.916 0.000 2.351 588 E HA 0.098 4.448 4.350 -0.001 0.000 0.266 588 E C -2.145 174.021 176.600 -0.723 0.000 1.031 588 E CA -1.902 53.540 56.400 -1.596 0.000 0.911 588 E CB 0.770 29.533 29.700 -1.561 0.000 0.986 588 E HN -0.027 nan 8.360 nan 0.000 0.446 589 P HA 0.022 nan 4.420 nan 0.000 0.271 589 P C -0.308 176.954 177.300 -0.063 0.000 1.220 589 P CA -0.174 62.818 63.100 -0.180 0.000 0.768 589 P CB 0.727 32.406 31.700 -0.036 0.000 0.848 590 K N 1.314 121.708 120.400 -0.010 0.000 2.393 590 K HA 0.372 4.691 4.320 -0.001 0.000 0.193 590 K C 0.503 177.149 176.600 0.076 0.000 1.026 590 K CA 0.215 56.539 56.287 0.061 0.000 1.064 590 K CB 0.309 32.806 32.500 -0.005 0.000 0.833 590 K HN 0.501 nan 8.250 nan 0.000 0.521 591 A N 1.183 124.076 122.820 0.123 0.000 2.540 591 A HA 0.445 4.764 4.320 -0.001 0.000 0.297 591 A C -1.864 175.849 177.584 0.215 0.000 1.056 591 A CA -0.702 51.400 52.037 0.109 0.000 0.700 591 A CB 1.396 20.404 19.000 0.014 0.000 1.280 591 A HN -0.006 nan 8.150 nan 0.000 0.398 592 D N 1.820 122.392 120.400 0.287 0.000 2.328 592 D HA 0.407 5.046 4.640 -0.001 0.000 0.243 592 D C 1.156 177.603 176.300 0.245 0.000 1.324 592 D CA 0.457 54.657 54.000 0.332 0.000 0.966 592 D CB 0.993 42.044 40.800 0.419 0.000 1.324 592 D HN 0.627 nan 8.370 nan 0.000 0.549 593 G N 1.333 110.181 108.800 0.080 0.000 2.470 593 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 593 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 593 G C 1.161 175.967 174.900 -0.156 0.000 1.121 593 G CA 0.426 45.472 45.100 -0.090 0.000 0.766 593 G HN 0.483 nan 8.290 nan 0.000 0.553 594 F N -0.009 119.989 119.950 0.080 0.000 2.502 594 F HA 0.181 4.707 4.527 -0.001 0.000 0.298 594 F C 2.610 178.295 175.800 -0.191 0.000 1.111 594 F CA 0.708 58.639 58.000 -0.116 0.000 1.445 594 F CB 0.219 39.110 39.000 -0.181 0.000 1.081 594 F HN 0.003 nan 8.300 nan 0.000 0.558 595 R N -0.439 120.157 120.500 0.160 0.000 2.508 595 R HA 0.107 4.447 4.340 -0.001 0.000 0.300 595 R C 0.078 176.485 176.300 0.178 0.000 0.970 595 R CA -0.136 56.057 56.100 0.154 0.000 1.102 595 R CB 0.031 30.500 30.300 0.282 0.000 1.246 595 R HN -0.048 nan 8.270 nan 0.000 0.539 596 N N 0.839 119.603 118.700 0.108 0.000 2.721 596 N HA -0.276 4.464 4.740 -0.001 0.000 0.249 596 N C -1.411 174.193 175.510 0.157 0.000 1.072 596 N CA 0.849 53.955 53.050 0.092 0.000 0.710 596 N CB -1.096 37.429 38.487 0.062 0.000 0.993 596 N HN 0.355 nan 8.380 nan 0.000 0.547 597 Y N 0.256 120.562 120.300 0.011 0.000 2.328 597 Y HA 0.572 5.122 4.550 -0.001 0.000 0.337 597 Y C -0.651 175.184 175.900 -0.109 0.000 1.008 597 Y CA -1.096 56.921 58.100 -0.139 0.000 1.129 597 Y CB 0.837 39.142 38.460 -0.257 0.000 1.185 597 Y HN 0.148 nan 8.280 nan 0.000 0.476 598 L N 7.025 127.754 121.223 -0.824 0.000 2.457 598 L HA 0.693 5.032 4.340 -0.001 0.000 0.266 598 L C -0.124 176.240 176.870 -0.842 0.000 0.979 598 L CA -0.136 54.311 54.840 -0.655 0.000 0.857 598 L CB 1.178 43.072 42.059 -0.275 0.000 1.213 598 L HN 0.807 nan 8.230 nan 0.000 0.418 599 G N 3.048 111.335 108.800 -0.856 0.000 2.543 599 G HA2 0.370 4.329 3.960 -0.001 0.000 0.290 599 G HA3 0.370 4.329 3.960 -0.001 0.000 0.290 599 G C -0.658 174.122 174.900 -0.200 0.000 1.310 599 G CA -0.732 44.105 45.100 -0.437 0.000 1.025 599 G HN 0.571 nan 8.290 nan 0.000 0.502 600 K N -0.916 119.426 120.400 -0.096 0.000 2.154 600 K HA 0.499 4.819 4.320 -0.001 0.000 0.264 600 K C 0.864 177.441 176.600 -0.038 0.000 1.008 600 K CA 0.488 56.742 56.287 -0.056 0.000 0.937 600 K CB 1.242 33.727 32.500 -0.025 0.000 1.002 600 K HN 0.959 nan 8.250 nan 0.000 0.469 601 G N 1.071 109.850 108.800 -0.034 0.000 2.176 601 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.232 601 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.232 601 G C -0.449 174.434 174.900 -0.029 0.000 0.986 601 G CA -0.391 44.694 45.100 -0.024 0.000 0.643 601 G HN 0.668 nan 8.290 nan 0.000 0.522 602 N N 1.568 120.243 118.700 -0.041 0.000 2.518 602 N HA 0.453 5.193 4.740 -0.001 0.000 0.266 602 N C -0.467 175.001 175.510 -0.069 0.000 1.196 602 N CA -0.711 52.312 53.050 -0.045 0.000 0.947 602 N CB 1.289 39.749 38.487 -0.046 0.000 1.098 602 N HN 0.117 nan 8.380 nan 0.000 0.450 603 P HA -0.008 nan 4.420 nan 0.000 0.229 603 P C -0.443 176.757 177.300 -0.165 0.000 1.160 603 P CA 1.080 64.094 63.100 -0.143 0.000 0.777 603 P CB 0.647 32.223 31.700 -0.207 0.000 0.814 604 L N -1.321 119.816 121.223 -0.144 0.000 2.409 604 L HA 0.492 4.831 4.340 -0.001 0.000 0.255 604 L C -2.631 174.206 176.870 -0.054 0.000 1.027 604 L CA -2.806 51.924 54.840 -0.184 0.000 0.834 604 L CB 2.087 43.967 42.059 -0.298 0.000 1.426 604 L HN -0.396 nan 8.230 nan 0.000 0.411 605 P HA -0.001 nan 4.420 nan 0.000 0.269 605 P C 0.158 177.558 177.300 0.166 0.000 1.211 605 P CA 0.058 63.235 63.100 0.129 0.000 0.781 605 P CB 0.615 32.458 31.700 0.238 0.000 0.877 606 A N 2.764 125.631 122.820 0.078 0.000 1.958 606 A HA -0.255 4.064 4.320 -0.001 0.000 0.221 606 A C 1.884 179.470 177.584 0.003 0.000 1.178 606 A CA 1.994 54.048 52.037 0.027 0.000 0.642 606 A CB -1.086 17.917 19.000 0.005 0.000 0.816 606 A HN 0.722 nan 8.150 nan 0.000 0.453 607 E N -0.883 119.297 120.200 -0.033 0.000 2.150 607 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 607 E C 1.723 178.188 176.600 -0.226 0.000 0.985 607 E CA 1.482 57.770 56.400 -0.187 0.000 0.814 607 E CB -0.682 28.834 29.700 -0.307 0.000 0.752 607 E HN 0.738 nan 8.360 nan 0.000 0.466 608 Y N 0.844 121.095 120.300 -0.080 0.000 2.263 608 Y HA -0.031 4.518 4.550 -0.001 0.000 0.292 608 Y C 2.668 178.531 175.900 -0.062 0.000 1.130 608 Y CA 1.201 59.257 58.100 -0.073 0.000 1.179 608 Y CB -0.227 38.190 38.460 -0.072 0.000 0.998 608 Y HN -0.042 nan 8.280 nan 0.000 0.532 609 M N -0.802 118.859 119.600 0.101 0.000 2.319 609 M HA -0.101 4.379 4.480 -0.001 0.000 0.265 609 M C 2.184 178.502 176.300 0.030 0.000 1.068 609 M CA 1.008 56.337 55.300 0.048 0.000 1.118 609 M CB -1.175 31.443 32.600 0.029 0.000 1.395 609 M HN 0.387 nan 8.290 nan 0.000 0.435 610 L N 0.955 122.166 121.223 -0.021 0.000 2.012 610 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 610 L C 2.146 179.004 176.870 -0.019 0.000 1.073 610 L CA 1.747 56.541 54.840 -0.078 0.000 0.748 610 L CB -0.811 41.143 42.059 -0.174 0.000 0.891 610 L HN 0.124 nan 8.230 nan 0.000 0.431 611 L N -0.177 121.029 121.223 -0.029 0.000 2.093 611 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 611 L C 2.226 179.133 176.870 0.062 0.000 1.085 611 L CA 1.978 56.824 54.840 0.011 0.000 0.755 611 L CB -0.933 41.103 42.059 -0.037 0.000 0.904 611 L HN 0.459 nan 8.230 nan 0.000 0.435 612 D N -0.613 119.821 120.400 0.056 0.000 2.097 612 D HA -0.252 4.388 4.640 -0.001 0.000 0.195 612 D C 2.214 178.571 176.300 0.095 0.000 0.989 612 D CA 1.152 55.186 54.000 0.057 0.000 0.827 612 D CB 0.107 40.928 40.800 0.035 0.000 0.966 612 D HN -0.032 nan 8.370 nan 0.000 0.456 613 K N 0.346 120.830 120.400 0.140 0.000 2.063 613 K HA -0.015 4.304 4.320 -0.001 0.000 0.208 613 K C 1.859 178.644 176.600 0.307 0.000 1.048 613 K CA 1.612 58.037 56.287 0.229 0.000 0.928 613 K CB -0.781 31.914 32.500 0.326 0.000 0.713 613 K HN 0.154 nan 8.250 nan 0.000 0.442 614 A N 0.472 123.510 122.820 0.363 0.000 1.930 614 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 614 A C 2.084 179.795 177.584 0.211 0.000 1.175 614 A CA 1.972 54.238 52.037 0.381 0.000 0.627 614 A CB -0.972 18.267 19.000 0.399 0.000 0.815 614 A HN 0.600 nan 8.150 nan 0.000 0.443 615 N N 0.028 118.817 118.700 0.148 0.000 2.069 615 N HA -0.131 4.609 4.740 -0.001 0.000 0.191 615 N C 1.536 177.104 175.510 0.097 0.000 1.031 615 N CA 1.803 54.912 53.050 0.098 0.000 0.852 615 N CB -0.384 38.138 38.487 0.058 0.000 1.018 615 N HN 0.454 nan 8.380 nan 0.000 0.423 616 L N -0.046 121.232 121.223 0.091 0.000 2.201 616 L HA -0.068 4.271 4.340 -0.001 0.000 0.212 616 L C 1.693 178.638 176.870 0.124 0.000 1.105 616 L CA 0.628 55.509 54.840 0.068 0.000 0.775 616 L CB -0.269 41.808 42.059 0.029 0.000 0.913 616 L HN 0.296 nan 8.230 nan 0.000 0.440 617 L N -0.260 121.046 121.223 0.139 0.000 2.599 617 L HA -0.004 4.336 4.340 -0.001 0.000 0.230 617 L C 1.190 178.131 176.870 0.118 0.000 1.141 617 L CA 0.610 55.528 54.840 0.130 0.000 0.877 617 L CB -0.682 41.386 42.059 0.014 0.000 1.009 617 L HN 0.526 nan 8.230 nan 0.000 0.447 618 T N -3.009 111.627 114.554 0.137 0.000 4.331 618 T HA -0.249 4.100 4.350 -0.001 0.000 0.323 618 T C 0.009 174.765 174.700 0.092 0.000 0.836 618 T CA 0.555 62.726 62.100 0.117 0.000 1.985 618 T CB -2.682 66.261 68.868 0.126 0.000 1.919 618 T HN 0.200 nan 8.240 nan 0.000 0.905 619 L N 1.939 123.227 121.223 0.109 0.000 2.350 619 L HA 0.615 4.955 4.340 -0.001 0.000 0.275 619 L C 1.326 178.280 176.870 0.140 0.000 1.099 619 L CA -0.425 54.486 54.840 0.119 0.000 0.808 619 L CB 1.400 43.556 42.059 0.160 0.000 1.149 619 L HN 0.575 nan 8.230 nan 0.000 0.442 620 S N 1.608 117.389 115.700 0.135 0.000 2.624 620 S HA 0.356 4.825 4.470 -0.001 0.000 0.263 620 S C 1.110 175.817 174.600 0.179 0.000 1.287 620 S CA -0.152 58.139 58.200 0.151 0.000 0.990 620 S CB 1.491 64.774 63.200 0.138 0.000 0.950 620 S HN 0.697 nan 8.310 nan 0.000 0.561 621 A N 1.269 124.197 122.820 0.181 0.000 1.883 621 A HA 0.062 4.382 4.320 -0.001 0.000 0.217 621 A C -0.358 177.366 177.584 0.233 0.000 1.186 621 A CA 1.591 53.745 52.037 0.194 0.000 0.624 621 A CB -2.233 16.868 19.000 0.167 0.000 0.822 621 A HN 0.739 nan 8.150 nan 0.000 0.444 622 P HA -0.140 nan 4.420 nan 0.000 0.215 622 P C 1.169 178.590 177.300 0.202 0.000 1.153 622 P CA 1.518 64.766 63.100 0.247 0.000 0.853 622 P CB -0.064 31.772 31.700 0.228 0.000 0.788 623 E N -0.952 119.352 120.200 0.172 0.000 2.051 623 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 623 E C 2.017 178.742 176.600 0.209 0.000 0.991 623 E CA 1.070 57.554 56.400 0.139 0.000 0.799 623 E CB -0.555 29.208 29.700 0.105 0.000 0.748 623 E HN 0.193 nan 8.360 nan 0.000 0.449 624 M N 0.667 120.447 119.600 0.299 0.000 2.080 624 M HA -0.202 4.278 4.480 -0.001 0.000 0.260 624 M C 2.005 178.569 176.300 0.440 0.000 1.068 624 M CA 1.709 57.297 55.300 0.480 0.000 1.109 624 M CB -0.181 32.685 32.600 0.445 0.000 1.342 624 M HN 0.042 nan 8.290 nan 0.000 0.405 625 T N 0.867 115.652 114.554 0.386 0.000 2.674 625 T HA -0.139 4.211 4.350 -0.001 0.000 0.265 625 T C 1.766 176.603 174.700 0.229 0.000 1.039 625 T CA 2.097 64.411 62.100 0.356 0.000 1.150 625 T CB -0.836 68.290 68.868 0.431 0.000 0.864 625 T HN 0.551 nan 8.240 nan 0.000 0.427 626 V N 0.591 120.580 119.914 0.125 0.000 2.407 626 V HA -0.092 4.027 4.120 -0.001 0.000 0.248 626 V C 2.371 178.738 176.094 0.455 0.000 1.055 626 V CA 1.468 63.895 62.300 0.211 0.000 1.049 626 V CB -1.291 30.497 31.823 -0.059 0.000 0.662 626 V HN 0.403 nan 8.190 nan 0.000 0.455 627 L N -0.175 121.229 121.223 0.302 0.000 2.046 627 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 627 L C 2.730 179.716 176.870 0.193 0.000 1.077 627 L CA 1.592 56.604 54.840 0.286 0.000 0.747 627 L CB -0.583 41.550 42.059 0.125 0.000 0.896 627 L HN 0.247 nan 8.230 nan 0.000 0.432 628 V N 0.171 120.121 119.914 0.059 0.000 2.255 628 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 628 V C 2.640 178.284 176.094 -0.751 0.000 1.051 628 V CA 2.155 64.239 62.300 -0.361 0.000 1.018 628 V CB -1.379 30.062 31.823 -0.637 0.000 0.641 628 V HN 0.581 nan 8.190 nan 0.000 0.445 629 G N -0.192 108.106 108.800 -0.836 0.000 2.469 629 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.219 629 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.219 629 G C 1.602 176.162 174.900 -0.567 0.000 1.150 629 G CA 1.112 45.493 45.100 -1.198 0.000 0.763 629 G HN 0.612 nan 8.290 nan 0.000 0.561 630 G N 0.718 109.479 108.800 -0.065 0.000 2.404 630 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.215 630 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.215 630 G C 1.825 176.531 174.900 -0.323 0.000 1.174 630 G CA 0.684 45.640 45.100 -0.240 0.000 0.780 630 G HN 0.413 nan 8.290 nan 0.000 0.537 631 L N -0.024 121.117 121.223 -0.137 0.000 2.083 631 L HA -0.042 4.297 4.340 -0.001 0.000 0.209 631 L C 3.191 179.915 176.870 -0.243 0.000 1.083 631 L CA 0.634 55.375 54.840 -0.164 0.000 0.752 631 L CB -0.290 41.643 42.059 -0.210 0.000 0.899 631 L HN 0.058 nan 8.230 nan 0.000 0.433 632 R N 0.121 120.401 120.500 -0.367 0.000 2.080 632 R HA -0.144 4.196 4.340 -0.001 0.000 0.236 632 R C 2.261 178.397 176.300 -0.272 0.000 1.137 632 R CA 1.929 57.802 56.100 -0.377 0.000 0.943 632 R CB -1.137 28.796 30.300 -0.613 0.000 0.846 632 R HN 0.449 nan 8.270 nan 0.000 0.431 633 V N -1.312 118.434 119.914 -0.280 0.000 2.809 633 V HA -0.018 4.101 4.120 -0.001 0.000 0.256 633 V C 2.128 178.129 176.094 -0.155 0.000 1.080 633 V CA 1.202 63.387 62.300 -0.192 0.000 1.102 633 V CB -0.617 31.099 31.823 -0.179 0.000 0.705 633 V HN 0.109 nan 8.190 nan 0.000 0.475 634 L N 1.363 122.474 121.223 -0.187 0.000 2.478 634 L HA 0.360 4.699 4.340 -0.001 0.000 0.223 634 L C 1.921 178.731 176.870 -0.100 0.000 1.140 634 L CA 0.903 55.649 54.840 -0.157 0.000 0.842 634 L CB -0.644 41.295 42.059 -0.200 0.000 0.953 634 L HN 0.649 nan 8.230 nan 0.000 0.452 635 G N -0.389 108.354 108.800 -0.094 0.000 2.137 635 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.237 635 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.237 635 G C 0.813 175.697 174.900 -0.028 0.000 1.002 635 G CA 0.271 45.339 45.100 -0.054 0.000 0.702 635 G HN 0.418 nan 8.290 nan 0.000 0.515 636 A N -0.538 122.257 122.820 -0.042 0.000 2.206 636 A HA 0.298 4.618 4.320 -0.001 0.000 0.211 636 A C 1.227 178.833 177.584 0.036 0.000 1.158 636 A CA 0.726 52.766 52.037 0.005 0.000 0.761 636 A CB -0.145 18.840 19.000 -0.025 0.000 0.801 636 A HN 0.480 nan 8.150 nan 0.000 0.473 637 N N 0.044 118.753 118.700 0.015 0.000 2.353 637 N HA -0.015 4.724 4.740 -0.001 0.000 0.248 637 N C -0.249 175.351 175.510 0.151 0.000 1.240 637 N CA 0.180 53.275 53.050 0.074 0.000 0.862 637 N CB -0.172 38.339 38.487 0.040 0.000 1.086 637 N HN 0.416 nan 8.380 nan 0.000 0.453 638 Y N 2.777 123.138 120.300 0.102 0.000 2.881 638 Y HA -0.182 4.367 4.550 -0.001 0.000 0.335 638 Y C 0.968 176.933 175.900 0.109 0.000 1.263 638 Y CA 0.591 58.768 58.100 0.128 0.000 1.572 638 Y CB 0.126 38.719 38.460 0.222 0.000 1.237 638 Y HN 0.680 nan 8.280 nan 0.000 0.568 639 K N 4.571 124.729 120.400 -0.403 0.000 3.020 639 K HA -0.348 3.971 4.320 -0.001 0.000 0.266 639 K C 0.216 176.746 176.600 -0.118 0.000 1.067 639 K CA 1.046 57.126 56.287 -0.345 0.000 0.780 639 K CB -0.830 31.361 32.500 -0.516 0.000 1.220 639 K HN 0.949 nan 8.250 nan 0.000 0.483 640 R N -0.820 119.653 120.500 -0.045 0.000 3.484 640 R HA -0.222 4.118 4.340 -0.001 0.000 0.260 640 R C 0.108 176.414 176.300 0.010 0.000 1.053 640 R CA 0.954 57.051 56.100 -0.006 0.000 0.703 640 R CB -1.742 28.554 30.300 -0.007 0.000 1.089 640 R HN 0.356 nan 8.270 nan 0.000 0.459 641 L N 1.398 122.638 121.223 0.028 0.000 2.483 641 L HA 0.034 4.374 4.340 -0.001 0.000 0.276 641 L C -0.484 176.420 176.870 0.057 0.000 1.213 641 L CA -1.120 53.755 54.840 0.057 0.000 0.843 641 L CB 0.180 42.300 42.059 0.100 0.000 1.107 641 L HN -0.025 nan 8.230 nan 0.000 0.487 642 P HA 0.007 nan 4.420 nan 0.000 0.245 642 P C 0.184 177.547 177.300 0.105 0.000 1.212 642 P CA 0.320 63.479 63.100 0.099 0.000 0.774 642 P CB 0.199 31.983 31.700 0.140 0.000 0.999 643 L N 0.461 121.741 121.223 0.095 0.000 2.562 643 L HA 0.188 4.527 4.340 -0.001 0.000 0.271 643 L C 1.683 178.500 176.870 -0.089 0.000 1.167 643 L CA 0.894 55.790 54.840 0.094 0.000 0.917 643 L CB -0.927 41.200 42.059 0.113 0.000 1.187 643 L HN 0.200 nan 8.230 nan 0.000 0.482 644 G N 2.564 111.190 108.800 -0.290 0.000 2.179 644 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.260 644 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.260 644 G C 0.263 174.541 174.900 -1.037 0.000 0.977 644 G CA 0.038 44.566 45.100 -0.954 0.000 0.641 644 G HN 0.440 nan 8.290 nan 0.000 0.533 645 V N 2.184 121.784 119.914 -0.524 0.000 2.071 645 V HA 0.332 4.451 4.120 -0.001 0.000 0.254 645 V C 0.360 176.327 176.094 -0.212 0.000 1.456 645 V CA -0.263 61.865 62.300 -0.288 0.000 1.383 645 V CB -0.904 30.872 31.823 -0.079 0.000 1.433 645 V HN 0.258 nan 8.190 nan 0.000 0.499 646 F N 1.777 121.523 119.950 -0.340 0.000 2.640 646 F HA 0.464 4.991 4.527 -0.001 0.000 0.354 646 F C 0.875 176.279 175.800 -0.659 0.000 1.213 646 F CA -0.140 57.233 58.000 -1.046 0.000 1.314 646 F CB -0.120 38.151 39.000 -1.216 0.000 1.679 646 F HN 0.293 nan 8.300 nan 0.000 0.622 647 T N -0.499 114.003 114.554 -0.087 0.000 2.894 647 T HA 0.295 4.644 4.350 -0.001 0.000 0.309 647 T C 0.725 175.585 174.700 0.268 0.000 1.208 647 T CA -0.476 61.680 62.100 0.092 0.000 1.016 647 T CB 1.497 70.370 68.868 0.008 0.000 1.192 647 T HN 0.279 nan 8.240 nan 0.000 0.491 648 E N 1.204 121.538 120.200 0.222 0.000 2.400 648 E HA 0.231 4.581 4.350 -0.001 0.000 0.195 648 E C 0.549 177.209 176.600 0.099 0.000 1.012 648 E CA 0.170 56.673 56.400 0.170 0.000 0.875 648 E CB 0.519 30.300 29.700 0.135 0.000 0.859 648 E HN 0.564 nan 8.360 nan 0.000 0.498 649 A N 1.556 124.421 122.820 0.075 0.000 2.644 649 A HA 0.381 4.700 4.320 -0.001 0.000 0.343 649 A C -0.034 177.563 177.584 0.021 0.000 1.324 649 A CA -0.386 51.676 52.037 0.042 0.000 0.846 649 A CB 0.468 19.489 19.000 0.035 0.000 1.128 649 A HN -0.111 nan 8.150 nan 0.000 0.484 650 S N 0.577 116.289 115.700 0.020 0.000 2.585 650 S HA 0.312 4.781 4.470 -0.001 0.000 0.273 650 S C 0.986 175.576 174.600 -0.017 0.000 1.339 650 S CA 0.627 58.824 58.200 -0.005 0.000 1.028 650 S CB 0.555 63.757 63.200 0.004 0.000 0.906 650 S HN 1.002 nan 8.310 nan 0.000 0.528 651 E N 0.150 120.327 120.200 -0.039 0.000 3.763 651 E HA -0.191 4.159 4.350 -0.001 0.000 0.319 651 E C -0.586 175.986 176.600 -0.046 0.000 0.804 651 E CA 0.736 57.108 56.400 -0.046 0.000 1.196 651 E CB -1.126 28.557 29.700 -0.028 0.000 1.607 651 E HN 0.359 nan 8.360 nan 0.000 0.431 652 S N -0.005 115.668 115.700 -0.044 0.000 2.532 652 S HA 0.549 5.019 4.470 -0.001 0.000 0.299 652 S C -0.809 173.767 174.600 -0.041 0.000 1.105 652 S CA -0.809 57.374 58.200 -0.027 0.000 1.018 652 S CB 1.430 64.631 63.200 0.002 0.000 1.021 652 S HN 0.326 nan 8.310 nan 0.000 0.483 653 L N 6.425 127.625 121.223 -0.038 0.000 2.387 653 L HA 0.420 4.759 4.340 -0.001 0.000 0.267 653 L C 0.450 177.381 176.870 0.102 0.000 1.197 653 L CA 0.397 55.206 54.840 -0.051 0.000 1.070 653 L CB -0.327 41.629 42.059 -0.173 0.000 1.349 653 L HN 0.825 nan 8.230 nan 0.000 0.422 654 T N -0.592 114.023 114.554 0.103 0.000 2.938 654 T HA 0.388 4.737 4.350 -0.001 0.000 0.285 654 T C 0.734 175.412 174.700 -0.036 0.000 1.028 654 T CA -0.554 61.618 62.100 0.120 0.000 1.005 654 T CB 1.103 70.005 68.868 0.057 0.000 1.157 654 T HN 0.480 nan 8.240 nan 0.000 0.550 655 N N -0.337 118.293 118.700 -0.117 0.000 2.322 655 N HA 0.056 4.795 4.740 -0.001 0.000 0.216 655 N C 0.160 175.616 175.510 -0.091 0.000 1.144 655 N CA -0.169 52.695 53.050 -0.310 0.000 0.830 655 N CB -0.266 38.148 38.487 -0.123 0.000 1.034 655 N HN 0.516 nan 8.380 nan 0.000 0.484 656 D N 0.669 121.004 120.400 -0.109 0.000 2.158 656 D HA -0.171 4.468 4.640 -0.001 0.000 0.197 656 D C 1.208 177.420 176.300 -0.148 0.000 0.995 656 D CA 0.746 54.697 54.000 -0.081 0.000 0.846 656 D CB -0.318 40.449 40.800 -0.055 0.000 0.941 656 D HN 0.351 nan 8.370 nan 0.000 0.456 657 F N 0.360 120.038 119.950 -0.454 0.000 2.095 657 F HA -0.231 4.296 4.527 -0.001 0.000 0.298 657 F C 1.869 177.388 175.800 -0.467 0.000 1.104 657 F CA 1.471 59.131 58.000 -0.567 0.000 1.232 657 F CB -0.410 38.007 39.000 -0.972 0.000 0.987 657 F HN -0.096 nan 8.300 nan 0.000 0.475 658 F N -0.615 119.256 119.950 -0.132 0.000 2.163 658 F HA -0.099 4.427 4.527 -0.001 0.000 0.297 658 F C 2.287 177.995 175.800 -0.153 0.000 1.094 658 F CA 1.041 58.948 58.000 -0.155 0.000 1.290 658 F CB -1.234 37.745 39.000 -0.034 0.000 1.017 658 F HN -0.232 nan 8.300 nan 0.000 0.483 659 V N 0.519 120.462 119.914 0.048 0.000 2.295 659 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 659 V C 2.130 178.189 176.094 -0.058 0.000 1.049 659 V CA 2.002 64.307 62.300 0.009 0.000 1.024 659 V CB -0.653 31.183 31.823 0.022 0.000 0.648 659 V HN 0.370 nan 8.190 nan 0.000 0.447 660 N N -0.104 118.509 118.700 -0.144 0.000 2.270 660 N HA -0.083 4.657 4.740 -0.001 0.000 0.181 660 N C 1.676 176.997 175.510 -0.315 0.000 1.016 660 N CA 0.918 53.835 53.050 -0.222 0.000 0.870 660 N CB -0.289 37.940 38.487 -0.431 0.000 0.979 660 N HN 0.312 nan 8.380 nan 0.000 0.431 661 L N 1.079 122.071 121.223 -0.384 0.000 2.191 661 L HA 0.004 4.343 4.340 -0.001 0.000 0.212 661 L C 1.684 178.468 176.870 -0.143 0.000 1.103 661 L CA 1.223 55.849 54.840 -0.357 0.000 0.769 661 L CB -0.316 41.456 42.059 -0.479 0.000 0.908 661 L HN 0.117 nan 8.230 nan 0.000 0.438 662 L N -1.154 120.016 121.223 -0.087 0.000 2.592 662 L HA 0.110 4.449 4.340 -0.001 0.000 0.227 662 L C 0.203 177.070 176.870 -0.006 0.000 1.127 662 L CA -0.254 54.571 54.840 -0.026 0.000 0.884 662 L CB -0.268 41.788 42.059 -0.004 0.000 1.065 662 L HN 0.101 nan 8.230 nan 0.000 0.457 663 D N 0.826 121.222 120.400 -0.006 0.000 2.346 663 D HA 0.004 4.644 4.640 -0.001 0.000 0.260 663 D C 1.110 177.422 176.300 0.019 0.000 1.252 663 D CA 0.114 54.122 54.000 0.013 0.000 0.895 663 D CB 0.887 41.705 40.800 0.030 0.000 1.097 663 D HN -0.066 nan 8.370 nan 0.000 0.489 664 M N 2.888 122.494 119.600 0.010 0.000 2.619 664 M HA 0.073 4.552 4.480 -0.001 0.000 0.251 664 M C 1.792 178.084 176.300 -0.013 0.000 1.106 664 M CA 0.288 55.592 55.300 0.007 0.000 1.086 664 M CB -0.473 32.129 32.600 0.003 0.000 1.465 664 M HN 0.503 nan 8.290 nan 0.000 0.506 665 G N -0.039 108.749 108.800 -0.021 0.000 2.744 665 G HA2 0.068 4.027 3.960 -0.001 0.000 0.211 665 G HA3 0.068 4.027 3.960 -0.001 0.000 0.211 665 G C 0.472 175.320 174.900 -0.086 0.000 1.143 665 G CA 0.034 45.107 45.100 -0.045 0.000 0.788 665 G HN 0.315 nan 8.290 nan 0.000 0.534 666 I N 1.108 121.620 120.570 -0.097 0.000 2.354 666 I HA 0.294 4.463 4.170 -0.001 0.000 0.292 666 I C -0.332 175.644 176.117 -0.235 0.000 0.989 666 I CA -0.097 61.069 61.300 -0.224 0.000 1.188 666 I CB 2.273 40.107 38.000 -0.275 0.000 1.342 666 I HN -0.238 nan 8.210 nan 0.000 0.457 667 T N 5.211 119.599 114.554 -0.278 0.000 2.758 667 T HA 0.346 4.696 4.350 -0.001 0.000 0.285 667 T C -0.895 173.664 174.700 -0.234 0.000 0.981 667 T CA -0.339 61.665 62.100 -0.160 0.000 0.965 667 T CB 0.260 69.079 68.868 -0.081 0.000 0.927 667 T HN 0.282 nan 8.240 nan 0.000 0.448 668 W N 2.194 123.501 121.300 0.012 0.000 2.417 668 W HA 0.538 5.198 4.660 -0.001 0.000 0.317 668 W C 0.501 177.080 176.519 0.100 0.000 1.121 668 W CA -0.600 56.776 57.345 0.052 0.000 1.208 668 W CB 0.873 30.335 29.460 0.002 0.000 1.253 668 W HN 0.580 nan 8.180 nan 0.000 0.533 669 E N 3.084 123.536 120.200 0.419 0.000 2.331 669 E HA 0.309 4.658 4.350 -0.001 0.000 0.275 669 E C -2.564 174.244 176.600 0.346 0.000 0.895 669 E CA -2.338 54.244 56.400 0.303 0.000 0.753 669 E CB 2.042 31.831 29.700 0.150 0.000 1.216 669 E HN -0.025 nan 8.360 nan 0.000 0.434 670 P HA 0.000 nan 4.420 nan 0.000 0.265 670 P C -0.717 176.552 177.300 -0.050 0.000 1.193 670 P CA 0.076 63.110 63.100 -0.109 0.000 0.765 670 P CB 0.589 32.222 31.700 -0.111 0.000 0.823 671 S N 5.133 120.773 115.700 -0.100 0.000 2.558 671 S HA 0.030 4.499 4.470 -0.001 0.000 0.288 671 S C -1.096 173.488 174.600 -0.027 0.000 1.318 671 S CA -0.502 57.685 58.200 -0.022 0.000 1.056 671 S CB -0.215 62.978 63.200 -0.012 0.000 0.853 671 S HN 0.423 nan 8.310 nan 0.000 0.505 672 P HA -0.072 nan 4.420 nan 0.000 0.216 672 P C -0.002 177.293 177.300 -0.009 0.000 1.153 672 P CA 0.972 64.070 63.100 -0.003 0.000 0.858 672 P CB 0.063 31.765 31.700 0.004 0.000 0.789 673 A N 0.784 123.601 122.820 -0.006 0.000 2.438 673 A HA 0.037 4.356 4.320 -0.001 0.000 0.280 673 A C 0.486 178.056 177.584 -0.025 0.000 1.160 673 A CA -0.108 51.925 52.037 -0.007 0.000 0.821 673 A CB -0.679 18.323 19.000 0.003 0.000 1.101 673 A HN -0.002 nan 8.150 nan 0.000 0.515 674 D N 2.946 123.329 120.400 -0.028 0.000 2.662 674 D HA -0.005 4.634 4.640 -0.001 0.000 0.228 674 D C -0.037 176.237 176.300 -0.044 0.000 1.093 674 D CA 0.182 54.154 54.000 -0.047 0.000 1.075 674 D CB 0.025 40.805 40.800 -0.034 0.000 1.122 674 D HN 0.590 nan 8.370 nan 0.000 0.475 675 D N -0.110 120.262 120.400 -0.046 0.000 2.388 675 D HA 0.150 4.789 4.640 -0.001 0.000 0.221 675 D C 1.412 177.693 176.300 -0.031 0.000 1.133 675 D CA -0.019 53.966 54.000 -0.025 0.000 0.831 675 D CB -0.101 40.700 40.800 0.000 0.000 0.962 675 D HN 0.279 nan 8.370 nan 0.000 0.502 676 G N 0.276 109.032 108.800 -0.073 0.000 2.148 676 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.254 676 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.254 676 G C 0.446 175.314 174.900 -0.053 0.000 0.981 676 G CA 0.776 45.838 45.100 -0.064 0.000 0.670 676 G HN 0.845 nan 8.290 nan 0.000 0.528 677 T N -2.540 111.954 114.554 -0.101 0.000 2.949 677 T HA 0.793 5.143 4.350 -0.001 0.000 0.287 677 T C -0.526 174.088 174.700 -0.144 0.000 1.034 677 T CA -0.907 61.207 62.100 0.024 0.000 1.018 677 T CB 2.450 71.384 68.868 0.111 0.000 1.135 677 T HN 0.487 nan 8.240 nan 0.000 0.532 678 Y N -0.634 119.793 120.300 0.211 0.000 2.545 678 Y HA 0.540 5.090 4.550 -0.001 0.000 0.348 678 Y C 0.044 176.207 175.900 0.438 0.000 1.002 678 Y CA -1.077 57.208 58.100 0.309 0.000 1.039 678 Y CB 2.402 41.057 38.460 0.325 0.000 1.271 678 Y HN 0.644 nan 8.280 nan 0.000 0.467 679 Q N 0.757 120.859 119.800 0.502 0.000 2.322 679 Q HA 0.583 4.922 4.340 -0.001 0.000 0.265 679 Q C -0.329 175.652 176.000 -0.031 0.000 0.985 679 Q CA -0.845 55.109 55.803 0.252 0.000 0.849 679 Q CB 2.045 30.845 28.738 0.103 0.000 1.274 679 Q HN 0.921 nan 8.270 nan 0.000 0.449 680 G N 2.904 111.358 108.800 -0.576 0.000 2.504 680 G HA2 0.319 4.279 3.960 -0.001 0.000 0.326 680 G HA3 0.319 4.279 3.960 -0.001 0.000 0.326 680 G C -0.547 173.949 174.900 -0.673 0.000 1.073 680 G CA -0.405 43.882 45.100 -1.356 0.000 1.030 680 G HN 0.359 nan 8.290 nan 0.000 0.448 681 K N 1.905 122.017 120.400 -0.480 0.000 2.156 681 K HA 0.295 4.615 4.320 -0.001 0.000 0.271 681 K C -0.094 176.333 176.600 -0.289 0.000 0.995 681 K CA -0.747 55.354 56.287 -0.310 0.000 0.890 681 K CB 1.631 34.016 32.500 -0.192 0.000 1.073 681 K HN 0.697 nan 8.250 nan 0.000 0.454 682 D N 0.624 120.872 120.400 -0.253 0.000 2.440 682 D HA 0.041 4.681 4.640 -0.001 0.000 0.269 682 D C 1.236 177.451 176.300 -0.141 0.000 1.249 682 D CA -0.456 53.424 54.000 -0.200 0.000 1.055 682 D CB -0.053 40.624 40.800 -0.204 0.000 1.104 682 D HN 0.474 nan 8.370 nan 0.000 0.561 683 G N -1.348 107.385 108.800 -0.111 0.000 2.448 683 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.219 683 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.219 683 G C 1.364 176.219 174.900 -0.075 0.000 1.127 683 G CA 1.172 46.223 45.100 -0.082 0.000 0.766 683 G HN 0.567 nan 8.290 nan 0.000 0.552 684 S N -0.701 114.949 115.700 -0.084 0.000 2.561 684 S HA 0.347 4.816 4.470 -0.001 0.000 0.225 684 S C 1.841 176.396 174.600 -0.074 0.000 0.977 684 S CA 0.987 59.143 58.200 -0.073 0.000 0.926 684 S CB -0.048 63.108 63.200 -0.074 0.000 0.769 684 S HN 1.525 nan 8.310 nan 0.000 0.533 685 G N 0.897 109.644 108.800 -0.088 0.000 2.157 685 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.239 685 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.239 685 G C -0.107 174.735 174.900 -0.095 0.000 0.982 685 G CA 0.166 45.215 45.100 -0.084 0.000 0.650 685 G HN 0.684 nan 8.290 nan 0.000 0.527 686 K N 0.827 121.157 120.400 -0.116 0.000 2.234 686 K HA 0.541 4.861 4.320 -0.001 0.000 0.282 686 K C 0.696 177.193 176.600 -0.171 0.000 1.039 686 K CA -0.647 55.563 56.287 -0.127 0.000 0.928 686 K CB 1.004 33.427 32.500 -0.128 0.000 1.039 686 K HN 0.001 nan 8.250 nan 0.000 0.470 687 V N 5.792 125.616 119.914 -0.150 0.000 2.425 687 V HA -0.033 4.087 4.120 -0.001 0.000 0.276 687 V C 1.267 177.212 176.094 -0.248 0.000 1.017 687 V CA 0.450 62.646 62.300 -0.173 0.000 1.062 687 V CB 0.678 32.448 31.823 -0.087 0.000 0.997 687 V HN 0.872 nan 8.190 nan 0.000 0.476 688 K N 4.229 124.386 120.400 -0.404 0.000 2.168 688 K HA 0.123 4.443 4.320 -0.001 0.000 0.201 688 K C 0.022 176.202 176.600 -0.699 0.000 1.049 688 K CA 0.358 56.230 56.287 -0.693 0.000 0.974 688 K CB 0.411 32.321 32.500 -0.982 0.000 0.792 688 K HN 0.647 nan 8.250 nan 0.000 0.463 689 W N 0.378 121.595 121.300 -0.137 0.000 2.882 689 W HA 0.342 5.001 4.660 -0.001 0.000 0.345 689 W C -0.778 175.850 176.519 0.180 0.000 1.125 689 W CA -1.198 56.189 57.345 0.069 0.000 1.167 689 W CB 1.657 31.112 29.460 -0.007 0.000 1.431 689 W HN -0.145 nan 8.180 nan 0.000 0.543 690 T N -0.533 114.455 114.554 0.724 0.000 2.893 690 T HA 0.915 5.265 4.350 -0.001 0.000 0.291 690 T C -0.416 174.748 174.700 0.775 0.000 1.028 690 T CA -0.759 61.739 62.100 0.662 0.000 0.995 690 T CB 1.916 71.016 68.868 0.386 0.000 1.051 690 T HN 0.789 nan 8.240 nan 0.000 0.470 691 G N 0.489 109.688 108.800 0.665 0.000 2.690 691 G HA2 0.634 4.594 3.960 -0.001 0.000 0.291 691 G HA3 0.634 4.594 3.960 -0.001 0.000 0.291 691 G C -0.639 174.458 174.900 0.328 0.000 1.403 691 G CA -0.569 44.773 45.100 0.405 0.000 0.864 691 G HN 1.113 nan 8.290 nan 0.000 0.480 692 S N -0.415 115.406 115.700 0.202 0.000 2.745 692 S HA 0.433 4.903 4.470 -0.001 0.000 0.292 692 S C 1.290 175.988 174.600 0.164 0.000 1.127 692 S CA -0.726 57.606 58.200 0.220 0.000 1.007 692 S CB 1.822 65.095 63.200 0.122 0.000 1.165 692 S HN 0.623 nan 8.310 nan 0.000 0.544 693 R N -0.391 120.229 120.500 0.200 0.000 2.105 693 R HA -0.052 4.287 4.340 -0.001 0.000 0.239 693 R C 2.061 178.340 176.300 -0.035 0.000 1.135 693 R CA 1.364 57.510 56.100 0.076 0.000 0.967 693 R CB -1.029 29.339 30.300 0.114 0.000 0.861 693 R HN 0.504 nan 8.270 nan 0.000 0.442 694 V N 1.586 121.502 119.914 0.005 0.000 2.407 694 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 694 V C 1.625 177.805 176.094 0.144 0.000 1.055 694 V CA 1.867 64.175 62.300 0.014 0.000 1.049 694 V CB -0.404 31.422 31.823 0.004 0.000 0.662 694 V HN 0.282 nan 8.190 nan 0.000 0.455 695 D N 0.079 120.544 120.400 0.109 0.000 2.097 695 D HA -0.091 4.548 4.640 -0.001 0.000 0.197 695 D C 2.147 178.513 176.300 0.111 0.000 0.984 695 D CA 1.190 55.306 54.000 0.193 0.000 0.826 695 D CB -0.133 40.726 40.800 0.098 0.000 0.973 695 D HN 0.318 nan 8.370 nan 0.000 0.460 696 L N 0.663 121.781 121.223 -0.175 0.000 2.240 696 L HA -0.037 4.303 4.340 -0.001 0.000 0.211 696 L C 2.521 179.235 176.870 -0.260 0.000 1.106 696 L CA 0.257 54.854 54.840 -0.406 0.000 0.793 696 L CB -0.236 41.360 42.059 -0.772 0.000 0.927 696 L HN -0.067 nan 8.230 nan 0.000 0.446 697 V N -0.082 119.713 119.914 -0.199 0.000 2.568 697 V HA -0.296 3.823 4.120 -0.001 0.000 0.253 697 V C 2.223 178.158 176.094 -0.266 0.000 1.072 697 V CA 1.772 63.912 62.300 -0.267 0.000 1.084 697 V CB -0.383 31.230 31.823 -0.350 0.000 0.676 697 V HN 0.249 nan 8.190 nan 0.000 0.469 698 F N 0.740 120.640 119.950 -0.084 0.000 2.293 698 F HA 0.064 4.591 4.527 -0.001 0.000 0.300 698 F C 2.259 178.028 175.800 -0.052 0.000 1.086 698 F CA 1.430 59.426 58.000 -0.007 0.000 1.375 698 F CB -0.614 38.467 39.000 0.134 0.000 1.045 698 F HN 0.294 nan 8.300 nan 0.000 0.516 699 G N -2.252 106.557 108.800 0.015 0.000 2.662 699 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.212 699 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.212 699 G C 1.639 176.478 174.900 -0.101 0.000 1.141 699 G CA 0.747 45.809 45.100 -0.064 0.000 0.797 699 G HN 0.336 nan 8.290 nan 0.000 0.531 700 S N 0.117 115.730 115.700 -0.145 0.000 2.412 700 S HA 0.047 4.516 4.470 -0.001 0.000 0.223 700 S C 1.043 175.553 174.600 -0.150 0.000 1.048 700 S CA -0.183 57.923 58.200 -0.155 0.000 0.954 700 S CB -0.335 62.750 63.200 -0.192 0.000 0.840 700 S HN 0.378 nan 8.310 nan 0.000 0.503 701 N N 0.945 119.543 118.700 -0.169 0.000 2.468 701 N HA 0.067 4.806 4.740 -0.001 0.000 0.265 701 N C 1.121 176.556 175.510 -0.124 0.000 1.199 701 N CA 0.494 53.440 53.050 -0.173 0.000 0.928 701 N CB 1.065 39.421 38.487 -0.219 0.000 1.059 701 N HN 0.339 nan 8.380 nan 0.000 0.467 702 S N 2.547 118.170 115.700 -0.128 0.000 2.423 702 S HA -0.135 4.335 4.470 -0.001 0.000 0.231 702 S C 1.153 175.718 174.600 -0.059 0.000 1.014 702 S CA 0.902 59.044 58.200 -0.097 0.000 0.965 702 S CB -0.210 62.917 63.200 -0.122 0.000 0.785 702 S HN 0.727 nan 8.310 nan 0.000 0.495 703 E N 1.050 121.215 120.200 -0.058 0.000 2.170 703 E HA 0.169 4.519 4.350 -0.001 0.000 0.191 703 E C 1.978 178.585 176.600 0.010 0.000 0.981 703 E CA 0.615 57.004 56.400 -0.018 0.000 0.830 703 E CB -0.201 29.493 29.700 -0.010 0.000 0.775 703 E HN 0.458 nan 8.360 nan 0.000 0.470 704 L N 0.535 121.749 121.223 -0.015 0.000 2.109 704 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 704 L C 2.672 179.620 176.870 0.131 0.000 1.086 704 L CA 0.778 55.647 54.840 0.048 0.000 0.760 704 L CB -0.272 41.724 42.059 -0.105 0.000 0.910 704 L HN 0.058 nan 8.230 nan 0.000 0.437 705 R N 0.501 121.038 120.500 0.062 0.000 2.105 705 R HA -0.193 4.147 4.340 -0.001 0.000 0.239 705 R C 2.329 178.670 176.300 0.069 0.000 1.135 705 R CA 1.402 57.545 56.100 0.071 0.000 0.967 705 R CB -0.195 30.111 30.300 0.010 0.000 0.861 705 R HN 0.344 nan 8.270 nan 0.000 0.442 706 A N 1.014 123.860 122.820 0.043 0.000 1.908 706 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 706 A C 2.153 179.763 177.584 0.043 0.000 1.181 706 A CA 1.368 53.422 52.037 0.028 0.000 0.627 706 A CB -0.519 18.490 19.000 0.015 0.000 0.818 706 A HN 0.343 nan 8.150 nan 0.000 0.445 707 L N -0.681 120.602 121.223 0.101 0.000 2.109 707 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 707 L C 2.451 179.425 176.870 0.174 0.000 1.086 707 L CA 0.821 55.748 54.840 0.146 0.000 0.760 707 L CB -0.609 41.600 42.059 0.250 0.000 0.910 707 L HN 0.229 nan 8.230 nan 0.000 0.437 708 V N -0.017 120.034 119.914 0.228 0.000 2.407 708 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 708 V C 2.268 178.431 176.094 0.115 0.000 1.055 708 V CA 1.687 64.147 62.300 0.266 0.000 1.049 708 V CB -0.475 31.544 31.823 0.327 0.000 0.662 708 V HN 0.446 nan 8.190 nan 0.000 0.455 709 E N -0.326 119.907 120.200 0.056 0.000 2.268 709 E HA -0.133 4.217 4.350 -0.001 0.000 0.195 709 E C 2.145 178.706 176.600 -0.066 0.000 0.995 709 E CA 0.934 57.335 56.400 0.003 0.000 0.836 709 E CB -0.027 29.672 29.700 -0.002 0.000 0.763 709 E HN 0.469 nan 8.360 nan 0.000 0.491 710 V N 0.040 119.867 119.914 -0.145 0.000 2.283 710 V HA -0.240 3.879 4.120 -0.001 0.000 0.243 710 V C 1.523 177.380 176.094 -0.394 0.000 1.039 710 V CA 1.675 63.782 62.300 -0.322 0.000 1.016 710 V CB -0.444 31.065 31.823 -0.523 0.000 0.650 710 V HN 0.325 nan 8.190 nan 0.000 0.449 711 Y N 0.572 120.730 120.300 -0.236 0.000 2.546 711 Y HA 0.195 4.744 4.550 -0.001 0.000 0.287 711 Y C 2.246 178.008 175.900 -0.230 0.000 1.158 711 Y CA 0.669 58.539 58.100 -0.384 0.000 1.307 711 Y CB -0.228 37.613 38.460 -1.032 0.000 1.036 711 Y HN 0.296 nan 8.280 nan 0.000 0.532 712 G N -0.357 108.453 108.800 0.017 0.000 3.088 712 G HA2 0.316 4.275 3.960 -0.001 0.000 0.217 712 G HA3 0.316 4.275 3.960 -0.001 0.000 0.217 712 G C 0.621 175.544 174.900 0.039 0.000 1.159 712 G CA 0.265 45.419 45.100 0.090 0.000 0.760 712 G HN 0.294 nan 8.290 nan 0.000 0.550 713 A N 0.515 123.336 122.820 0.002 0.000 2.366 713 A HA 0.389 4.709 4.320 -0.001 0.000 0.249 713 A C 1.161 178.756 177.584 0.019 0.000 1.084 713 A CA -0.054 51.982 52.037 -0.001 0.000 0.794 713 A CB 0.448 19.431 19.000 -0.028 0.000 1.034 713 A HN 0.100 nan 8.150 nan 0.000 0.491 714 D N 0.394 120.806 120.400 0.019 0.000 2.182 714 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 714 D C 0.968 177.291 176.300 0.038 0.000 0.986 714 D CA 1.889 55.907 54.000 0.030 0.000 0.847 714 D CB -0.058 40.755 40.800 0.022 0.000 0.942 714 D HN 0.746 nan 8.370 nan 0.000 0.467 715 D N -0.443 119.974 120.400 0.028 0.000 2.328 715 D HA 0.117 4.756 4.640 -0.001 0.000 0.221 715 D C 1.287 177.617 176.300 0.050 0.000 1.072 715 D CA 0.097 54.117 54.000 0.034 0.000 0.850 715 D CB -0.102 40.708 40.800 0.016 0.000 0.922 715 D HN 0.091 nan 8.370 nan 0.000 0.516 716 A N -0.050 122.806 122.820 0.059 0.000 2.220 716 A HA 0.027 4.347 4.320 -0.001 0.000 0.211 716 A C 2.060 179.747 177.584 0.171 0.000 1.176 716 A CA 0.234 52.317 52.037 0.077 0.000 0.834 716 A CB -0.311 18.707 19.000 0.030 0.000 0.868 716 A HN 0.202 nan 8.150 nan 0.000 0.488 717 Q N 0.363 120.271 119.800 0.179 0.000 2.050 717 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 717 Q C -0.816 175.287 176.000 0.172 0.000 0.980 717 Q CA 2.145 58.092 55.803 0.240 0.000 0.840 717 Q CB -0.671 28.228 28.738 0.269 0.000 0.898 717 Q HN 0.450 nan 8.270 nan 0.000 0.424 718 P HA -0.214 nan 4.420 nan 0.000 0.215 718 P C 0.652 177.981 177.300 0.048 0.000 1.157 718 P CA 1.498 64.644 63.100 0.078 0.000 0.868 718 P CB -0.129 31.653 31.700 0.136 0.000 0.788 719 K N -1.048 119.416 120.400 0.108 0.000 2.057 719 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 719 K C 2.069 178.803 176.600 0.223 0.000 1.049 719 K CA 1.358 57.726 56.287 0.135 0.000 0.931 719 K CB -0.725 31.843 32.500 0.112 0.000 0.714 719 K HN -0.026 nan 8.250 nan 0.000 0.440 720 F N 1.559 121.615 119.950 0.176 0.000 2.069 720 F HA -0.217 4.309 4.527 -0.001 0.000 0.298 720 F C 1.782 177.610 175.800 0.047 0.000 1.113 720 F CA 1.489 59.577 58.000 0.145 0.000 1.214 720 F CB -0.655 38.415 39.000 0.117 0.000 0.978 720 F HN -0.178 nan 8.300 nan 0.000 0.474 721 V N 0.813 120.490 119.914 -0.395 0.000 2.287 721 V HA -0.355 3.765 4.120 -0.001 0.000 0.248 721 V C 2.460 178.394 176.094 -0.266 0.000 1.053 721 V CA 2.406 64.407 62.300 -0.497 0.000 1.027 721 V CB -0.945 30.602 31.823 -0.461 0.000 0.646 721 V HN 0.447 nan 8.190 nan 0.000 0.447 722 Q N -0.485 119.232 119.800 -0.138 0.000 2.020 722 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 722 Q C 2.115 178.088 176.000 -0.044 0.000 0.982 722 Q CA 1.942 57.712 55.803 -0.056 0.000 0.838 722 Q CB -0.266 28.469 28.738 -0.005 0.000 0.899 722 Q HN 0.630 nan 8.270 nan 0.000 0.423 723 D N -0.014 120.371 120.400 -0.026 0.000 2.144 723 D HA -0.139 4.500 4.640 -0.001 0.000 0.200 723 D C 1.496 177.748 176.300 -0.079 0.000 0.978 723 D CA 0.706 54.703 54.000 -0.004 0.000 0.833 723 D CB -0.299 40.567 40.800 0.110 0.000 0.961 723 D HN 0.146 nan 8.370 nan 0.000 0.470 724 F N 1.318 121.054 119.950 -0.357 0.000 2.134 724 F HA -0.208 4.318 4.527 -0.001 0.000 0.299 724 F C 2.098 177.817 175.800 -0.134 0.000 1.097 724 F CA 1.056 58.852 58.000 -0.339 0.000 1.264 724 F CB -0.129 38.444 39.000 -0.712 0.000 1.001 724 F HN -0.211 nan 8.300 nan 0.000 0.479 725 V N 0.433 120.305 119.914 -0.069 0.000 2.427 725 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 725 V C 2.712 178.788 176.094 -0.029 0.000 1.051 725 V CA 1.598 63.877 62.300 -0.036 0.000 1.048 725 V CB -1.419 30.410 31.823 0.011 0.000 0.666 725 V HN 0.490 nan 8.190 nan 0.000 0.456 726 A N 0.080 122.872 122.820 -0.047 0.000 1.902 726 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 726 A C 2.423 179.968 177.584 -0.064 0.000 1.181 726 A CA 2.042 54.057 52.037 -0.036 0.000 0.623 726 A CB -0.741 18.246 19.000 -0.021 0.000 0.818 726 A HN 0.547 nan 8.150 nan 0.000 0.443 727 A N -1.191 121.567 122.820 -0.104 0.000 1.898 727 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 727 A C 2.112 179.611 177.584 -0.141 0.000 1.181 727 A CA 1.334 53.301 52.037 -0.116 0.000 0.620 727 A CB -0.937 17.992 19.000 -0.117 0.000 0.819 727 A HN 0.858 nan 8.150 nan 0.000 0.442 728 W N 1.147 122.187 121.300 -0.434 0.000 2.333 728 W HA -0.250 4.410 4.660 -0.001 0.000 0.316 728 W C 1.565 177.970 176.519 -0.190 0.000 1.215 728 W CA 2.424 59.552 57.345 -0.362 0.000 1.278 728 W CB -0.516 28.631 29.460 -0.520 0.000 1.154 728 W HN 0.512 nan 8.180 nan 0.000 0.486 729 D N 0.455 120.839 120.400 -0.026 0.000 2.123 729 D HA -0.263 4.377 4.640 -0.001 0.000 0.196 729 D C 2.223 178.395 176.300 -0.213 0.000 0.992 729 D CA 2.285 56.229 54.000 -0.092 0.000 0.833 729 D CB -0.429 40.369 40.800 -0.003 0.000 0.954 729 D HN 0.127 nan 8.370 nan 0.000 0.455 730 K N -0.179 120.105 120.400 -0.192 0.000 2.032 730 K HA -0.133 4.186 4.320 -0.001 0.000 0.209 730 K C 1.994 178.403 176.600 -0.319 0.000 1.048 730 K CA 1.355 57.510 56.287 -0.220 0.000 0.927 730 K CB -0.134 32.273 32.500 -0.154 0.000 0.712 730 K HN 0.057 nan 8.250 nan 0.000 0.441 731 V N 1.459 121.156 119.914 -0.362 0.000 2.358 731 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 731 V C 2.462 178.225 176.094 -0.551 0.000 1.047 731 V CA 1.489 63.506 62.300 -0.471 0.000 1.035 731 V CB -0.363 31.161 31.823 -0.498 0.000 0.658 731 V HN 0.411 nan 8.190 nan 0.000 0.452 732 M N 0.230 119.473 119.600 -0.595 0.000 2.267 732 M HA -0.115 4.365 4.480 -0.001 0.000 0.263 732 M C 1.442 177.511 176.300 -0.385 0.000 1.063 732 M CA 1.448 56.449 55.300 -0.498 0.000 1.090 732 M CB -1.275 31.061 32.600 -0.439 0.000 1.392 732 M HN 0.380 nan 8.290 nan 0.000 0.422 733 N N -0.129 118.335 118.700 -0.394 0.000 2.236 733 N HA 0.200 4.939 4.740 -0.001 0.000 0.196 733 N C 1.605 176.809 175.510 -0.511 0.000 1.114 733 N CA 0.071 52.890 53.050 -0.385 0.000 0.859 733 N CB 0.197 38.492 38.487 -0.321 0.000 0.982 733 N HN 0.330 nan 8.380 nan 0.000 0.493 734 L N 0.881 121.722 121.223 -0.637 0.000 2.043 734 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 734 L C 1.453 177.601 176.870 -1.204 0.000 1.075 734 L CA 1.563 55.792 54.840 -1.018 0.000 0.752 734 L CB -0.296 40.959 42.059 -1.340 0.000 0.891 734 L HN 0.172 nan 8.230 nan 0.000 0.432 735 D N -1.450 118.492 120.400 -0.763 0.000 2.340 735 D HA -0.090 4.550 4.640 -0.001 0.000 0.220 735 D C 0.990 177.167 176.300 -0.204 0.000 1.039 735 D CA 0.077 53.938 54.000 -0.232 0.000 0.866 735 D CB -0.168 40.714 40.800 0.135 0.000 0.913 735 D HN 0.034 nan 8.370 nan 0.000 0.523 736 R N 0.788 121.032 120.500 -0.426 0.000 4.792 736 R HA 0.146 4.485 4.340 -0.001 0.000 0.205 736 R C 0.114 176.243 176.300 -0.285 0.000 1.875 736 R CA -0.306 55.623 56.100 -0.286 0.000 1.588 736 R CB -1.434 28.692 30.300 -0.289 0.000 1.401 736 R HN 0.273 nan 8.270 nan 0.000 0.834 737 F N 0.771 120.698 119.950 -0.037 0.000 2.604 737 F HA -0.123 4.404 4.527 -0.001 0.000 0.298 737 F C 2.026 177.817 175.800 -0.015 0.000 1.131 737 F CA 0.798 58.792 58.000 -0.009 0.000 1.457 737 F CB 0.079 39.101 39.000 0.037 0.000 1.095 737 F HN 0.255 nan 8.300 nan 0.000 0.574 738 D N 0.578 121.044 120.400 0.110 0.000 2.264 738 D HA -0.120 4.520 4.640 -0.001 0.000 0.208 738 D C 1.481 177.783 176.300 0.003 0.000 0.966 738 D CA 1.448 55.477 54.000 0.048 0.000 0.864 738 D CB -0.625 40.186 40.800 0.019 0.000 0.933 738 D HN 0.343 nan 8.370 nan 0.000 0.499 739 V N -3.562 116.332 119.914 -0.033 0.000 3.176 739 V HA 0.449 4.568 4.120 -0.001 0.000 0.332 739 V C 0.605 176.668 176.094 -0.052 0.000 1.414 739 V CA -0.800 61.467 62.300 -0.056 0.000 1.133 739 V CB -0.355 31.409 31.823 -0.098 0.000 1.088 739 V HN -0.109 nan 8.190 nan 0.000 0.473 740 R N 0.000 120.489 120.500 -0.019 0.000 2.786 740 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 740 R CA 0.000 56.097 56.100 -0.004 0.000 0.921 740 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535