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 1ksc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAYDYKQVLR DSLLFYEAQR SGRLPADQKV TWRKDSALND QGDQGQDLTG DATA SEQUENCE GYFDAGDFVK FGFPMAYTAT VLAWGLIDFE AGYSSAGALD DGRKAVKWAT DATA SEQUENCE DYFIKAHTSQ NEFYGQVGQG DADHAFWGRP EDMTMARPAY KIDTSRPGSD DATA SEQUENCE LAGETAAALA AASIVFRNVD GTYSNNLLTH ARQLFDFANN YRGKYSDSIT DATA SEQUENCE DARNFYASAD YRDELVWAAA WLYRATNDNT YLNTAESLYD EFGLQNWGGG DATA SEQUENCE LNWDSKVSGV QVLLAKLTNK QAYKDTVQSY VNYLINNQQK TPKGLLYIDM DATA SEQUENCE WGTLRHAANA AFIMLEAAEL GLSASSYRQF AQTQIDYALG DGGRSFVCGF DATA SEQUENCE GSNPPTRPHH RSSScPPAPA TcDWNTFNSP DPNYHVLSGA LVGGPDQNDN DATA SEQUENCE YVDDRSDYVH NEVATDYNAG FQSALAALVA LGY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.931 176.300 -0.615 0.000 1.140 1 M CA 0.000 54.987 55.300 -0.522 0.000 0.988 1 M CB 0.000 32.450 32.600 -0.251 0.000 1.302 2 A N 1.170 123.673 122.820 -0.528 0.000 1.815 2 A HA -0.086 4.234 4.320 -0.001 0.000 0.239 2 A C -1.581 175.769 177.584 -0.390 0.000 1.327 2 A CA 0.613 52.438 52.037 -0.352 0.000 0.710 2 A CB -2.045 16.835 19.000 -0.199 0.000 1.192 2 A HN 0.882 nan 8.150 nan 0.000 0.255 3 Y N 0.703 120.880 120.300 -0.205 0.000 2.310 3 Y HA 0.472 5.022 4.550 -0.001 0.000 0.326 3 Y C 0.861 176.462 175.900 -0.499 0.000 1.151 3 Y CA -0.713 57.213 58.100 -0.289 0.000 1.195 3 Y CB 0.895 39.138 38.460 -0.362 0.000 1.210 3 Y HN 0.614 nan 8.280 nan 0.000 0.483 4 D N 2.378 122.745 120.400 -0.055 0.000 2.483 4 D HA 0.030 4.670 4.640 -0.001 0.000 0.220 4 D C 0.212 176.448 176.300 -0.106 0.000 1.173 4 D CA 0.003 53.962 54.000 -0.068 0.000 0.964 4 D CB -0.138 40.700 40.800 0.063 0.000 1.046 4 D HN 0.468 nan 8.370 nan 0.000 0.517 5 Y N 2.053 122.383 120.300 0.050 0.000 2.256 5 Y HA -0.181 4.369 4.550 -0.001 0.000 0.288 5 Y C 2.265 178.108 175.900 -0.095 0.000 1.155 5 Y CA 0.975 59.040 58.100 -0.059 0.000 1.203 5 Y CB -0.181 38.246 38.460 -0.054 0.000 0.980 5 Y HN 0.294 nan 8.280 nan 0.000 0.530 6 K N -0.439 120.010 120.400 0.082 0.000 2.057 6 K HA -0.245 4.074 4.320 -0.001 0.000 0.207 6 K C 2.144 178.750 176.600 0.010 0.000 1.049 6 K CA 1.579 57.881 56.287 0.026 0.000 0.931 6 K CB -0.190 32.334 32.500 0.040 0.000 0.714 6 K HN 0.162 nan 8.250 nan 0.000 0.440 7 Q N 0.996 120.815 119.800 0.031 0.000 2.172 7 Q HA -0.071 4.268 4.340 -0.001 0.000 0.200 7 Q C 1.822 177.831 176.000 0.015 0.000 0.964 7 Q CA 1.162 56.997 55.803 0.053 0.000 0.855 7 Q CB 0.025 28.831 28.738 0.113 0.000 0.918 7 Q HN 0.075 nan 8.270 nan 0.000 0.444 8 V N 0.588 120.453 119.914 -0.081 0.000 2.427 8 V HA -0.200 3.919 4.120 -0.001 0.000 0.248 8 V C 2.182 178.202 176.094 -0.123 0.000 1.051 8 V CA 1.427 63.603 62.300 -0.207 0.000 1.048 8 V CB -0.743 30.843 31.823 -0.394 0.000 0.666 8 V HN 0.368 nan 8.190 nan 0.000 0.456 9 L N 0.611 121.758 121.223 -0.126 0.000 2.017 9 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 9 L C 2.581 179.433 176.870 -0.030 0.000 1.073 9 L CA 1.923 56.678 54.840 -0.142 0.000 0.745 9 L CB -0.715 41.214 42.059 -0.217 0.000 0.894 9 L HN 0.189 nan 8.230 nan 0.000 0.432 10 R N -0.452 120.050 120.500 0.004 0.000 2.096 10 R HA -0.150 4.189 4.340 -0.001 0.000 0.235 10 R C 1.912 178.266 176.300 0.089 0.000 1.127 10 R CA 1.469 57.604 56.100 0.059 0.000 0.968 10 R CB -0.543 29.794 30.300 0.061 0.000 0.861 10 R HN 0.424 nan 8.270 nan 0.000 0.440 11 D N -0.091 120.359 120.400 0.084 0.000 2.117 11 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 11 D C 1.868 178.261 176.300 0.155 0.000 0.987 11 D CA 1.267 55.339 54.000 0.120 0.000 0.829 11 D CB -0.397 40.470 40.800 0.112 0.000 0.961 11 D HN 0.017 nan 8.370 nan 0.000 0.460 12 S N -0.339 115.454 115.700 0.155 0.000 2.383 12 S HA -0.100 4.370 4.470 -0.001 0.000 0.229 12 S C 2.040 176.817 174.600 0.296 0.000 1.030 12 S CA 0.678 59.021 58.200 0.239 0.000 1.002 12 S CB -0.274 63.067 63.200 0.234 0.000 0.829 12 S HN 0.189 nan 8.310 nan 0.000 0.467 13 L N 0.846 122.224 121.223 0.259 0.000 2.201 13 L HA -0.028 4.312 4.340 -0.001 0.000 0.212 13 L C 2.260 179.243 176.870 0.189 0.000 1.105 13 L CA 0.786 55.794 54.840 0.280 0.000 0.775 13 L CB -0.379 41.806 42.059 0.209 0.000 0.913 13 L HN 0.353 nan 8.230 nan 0.000 0.440 14 L N -1.543 119.770 121.223 0.150 0.000 2.141 14 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 14 L C 2.509 179.434 176.870 0.092 0.000 1.094 14 L CA 0.908 55.806 54.840 0.097 0.000 0.763 14 L CB -0.491 41.639 42.059 0.118 0.000 0.908 14 L HN 0.227 nan 8.230 nan 0.000 0.437 15 F N 0.235 120.169 119.950 -0.027 0.000 2.134 15 F HA -0.250 4.277 4.527 -0.001 0.000 0.299 15 F C 2.290 177.982 175.800 -0.181 0.000 1.097 15 F CA 1.409 59.334 58.000 -0.125 0.000 1.264 15 F CB -0.555 38.310 39.000 -0.225 0.000 1.001 15 F HN -0.050 nan 8.300 nan 0.000 0.479 16 Y N 1.170 121.316 120.300 -0.256 0.000 2.274 16 Y HA -0.155 4.395 4.550 -0.001 0.000 0.290 16 Y C 2.488 178.235 175.900 -0.254 0.000 1.145 16 Y CA 1.753 59.614 58.100 -0.399 0.000 1.203 16 Y CB -0.880 37.442 38.460 -0.230 0.000 0.984 16 Y HN 0.213 nan 8.280 nan 0.000 0.533 17 E N -0.506 119.640 120.200 -0.089 0.000 2.153 17 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 17 E C 2.302 178.717 176.600 -0.308 0.000 0.988 17 E CA 0.920 57.180 56.400 -0.233 0.000 0.811 17 E CB -0.243 29.334 29.700 -0.206 0.000 0.746 17 E HN 0.446 nan 8.360 nan 0.000 0.466 18 A N 0.932 123.586 122.820 -0.276 0.000 2.119 18 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 18 A C 1.868 179.402 177.584 -0.084 0.000 1.153 18 A CA 0.857 52.738 52.037 -0.260 0.000 0.692 18 A CB 0.056 19.011 19.000 -0.075 0.000 0.799 18 A HN 0.065 nan 8.150 nan 0.000 0.458 19 Q N -0.187 119.522 119.800 -0.152 0.000 2.319 19 Q HA 0.117 4.457 4.340 -0.001 0.000 0.202 19 Q C -0.001 176.062 176.000 0.105 0.000 0.896 19 Q CA 0.074 55.907 55.803 0.051 0.000 0.942 19 Q CB 0.168 28.807 28.738 -0.165 0.000 1.083 19 Q HN 0.610 nan 8.270 nan 0.000 0.510 20 R N 0.730 121.134 120.500 -0.161 0.000 2.489 20 R HA 0.176 4.516 4.340 -0.001 0.000 0.287 20 R C 0.237 176.290 176.300 -0.411 0.000 1.053 20 R CA 0.210 56.012 56.100 -0.496 0.000 1.036 20 R CB 0.550 30.231 30.300 -1.032 0.000 0.966 20 R HN -0.099 nan 8.270 nan 0.000 0.432 21 S N 1.213 116.611 115.700 -0.504 0.000 2.638 21 S HA 0.755 5.225 4.470 -0.001 0.000 0.298 21 S C 0.215 174.705 174.600 -0.183 0.000 1.111 21 S CA 0.411 58.151 58.200 -0.767 0.000 1.027 21 S CB 1.468 63.863 63.200 -1.341 0.000 1.064 21 S HN 0.899 nan 8.310 nan 0.000 0.525 22 G N 3.068 111.780 108.800 -0.146 0.000 2.545 22 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.216 22 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.216 22 G C -1.007 173.895 174.900 0.004 0.000 1.314 22 G CA -0.674 44.382 45.100 -0.073 0.000 0.906 22 G HN 0.873 nan 8.290 nan 0.000 0.563 23 R N 0.092 120.588 120.500 -0.007 0.000 2.267 23 R HA 0.443 4.782 4.340 -0.001 0.000 0.319 23 R C 0.409 176.793 176.300 0.139 0.000 1.067 23 R CA -0.296 55.814 56.100 0.017 0.000 0.936 23 R CB 0.298 30.576 30.300 -0.038 0.000 1.006 23 R HN 0.415 nan 8.270 nan 0.000 0.452 24 L N 5.397 126.680 121.223 0.100 0.000 2.375 24 L HA 0.380 4.719 4.340 -0.001 0.000 0.271 24 L C -1.461 175.456 176.870 0.079 0.000 1.107 24 L CA -2.044 52.860 54.840 0.106 0.000 0.806 24 L CB 0.552 42.580 42.059 -0.053 0.000 1.146 24 L HN 0.389 nan 8.230 nan 0.000 0.447 25 P HA 0.085 nan 4.420 nan 0.000 0.274 25 P C 0.113 177.416 177.300 0.006 0.000 1.237 25 P CA -0.424 62.711 63.100 0.057 0.000 0.793 25 P CB 1.156 32.911 31.700 0.092 0.000 0.977 26 A N 1.869 124.690 122.820 0.002 0.000 2.019 26 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 26 A C 1.267 178.845 177.584 -0.010 0.000 1.164 26 A CA 1.839 53.871 52.037 -0.007 0.000 0.644 26 A CB -1.098 17.899 19.000 -0.006 0.000 0.805 26 A HN 0.677 nan 8.150 nan 0.000 0.449 27 D N -0.825 119.571 120.400 -0.007 0.000 2.336 27 D HA 0.136 4.775 4.640 -0.001 0.000 0.228 27 D C 0.563 176.846 176.300 -0.028 0.000 1.120 27 D CA -0.252 53.742 54.000 -0.009 0.000 0.839 27 D CB -0.731 40.070 40.800 0.002 0.000 0.932 27 D HN 0.414 nan 8.370 nan 0.000 0.509 28 Q N 1.125 120.895 119.800 -0.051 0.000 2.315 28 Q HA 0.020 4.360 4.340 -0.001 0.000 0.289 28 Q C 0.638 176.586 176.000 -0.087 0.000 1.044 28 Q CA 0.565 56.308 55.803 -0.099 0.000 0.920 28 Q CB 0.969 29.626 28.738 -0.135 0.000 1.214 28 Q HN 0.079 nan 8.270 nan 0.000 0.392 29 K N 2.283 122.625 120.400 -0.096 0.000 2.276 29 K HA 0.134 4.453 4.320 -0.001 0.000 0.198 29 K C -0.184 176.356 176.600 -0.101 0.000 1.052 29 K CA 0.354 56.603 56.287 -0.063 0.000 0.984 29 K CB 0.658 33.141 32.500 -0.027 0.000 0.836 29 K HN 0.367 nan 8.250 nan 0.000 0.490 30 V N 3.569 123.359 119.914 -0.207 0.000 2.223 30 V HA -0.014 4.105 4.120 -0.001 0.000 0.249 30 V C 1.156 176.955 176.094 -0.491 0.000 1.233 30 V CA 0.331 62.396 62.300 -0.392 0.000 1.131 30 V CB -0.084 31.412 31.823 -0.546 0.000 1.298 30 V HN 0.403 nan 8.190 nan 0.000 0.498 31 T N -0.316 114.079 114.554 -0.264 0.000 3.118 31 T HA -0.111 4.239 4.350 -0.001 0.000 0.260 31 T C 1.331 175.975 174.700 -0.094 0.000 1.139 31 T CA 0.343 62.351 62.100 -0.154 0.000 1.085 31 T CB -0.178 68.674 68.868 -0.025 0.000 0.934 31 T HN 0.823 nan 8.240 nan 0.000 0.518 32 W N 0.752 121.994 121.300 -0.096 0.000 2.800 32 W HA 0.330 4.989 4.660 -0.001 0.000 0.249 32 W C 0.257 176.680 176.519 -0.160 0.000 1.294 32 W CA -0.889 56.349 57.345 -0.179 0.000 1.402 32 W CB -0.504 28.634 29.460 -0.537 0.000 1.126 32 W HN -0.033 nan 8.180 nan 0.000 0.652 33 R N 2.453 122.714 120.500 -0.398 0.000 2.441 33 R HA 0.279 4.618 4.340 -0.001 0.000 0.284 33 R C 0.286 176.505 176.300 -0.134 0.000 1.070 33 R CA -0.050 55.881 56.100 -0.282 0.000 1.047 33 R CB 1.058 31.054 30.300 -0.507 0.000 1.016 33 R HN -0.130 nan 8.270 nan 0.000 0.477 34 K N 0.971 121.337 120.400 -0.057 0.000 2.352 34 K HA 0.311 4.631 4.320 -0.001 0.000 0.240 34 K C -0.632 175.945 176.600 -0.039 0.000 1.017 34 K CA -1.048 55.215 56.287 -0.041 0.000 0.851 34 K CB 1.090 33.582 32.500 -0.013 0.000 1.261 34 K HN 0.359 nan 8.250 nan 0.000 0.451 35 D N 1.285 121.665 120.400 -0.033 0.000 2.488 35 D HA 0.129 4.768 4.640 -0.001 0.000 0.238 35 D C 0.237 176.517 176.300 -0.034 0.000 1.138 35 D CA 0.745 54.728 54.000 -0.028 0.000 0.873 35 D CB 0.430 41.213 40.800 -0.028 0.000 1.183 35 D HN 0.538 nan 8.370 nan 0.000 0.458 36 S N -0.576 115.109 115.700 -0.025 0.000 2.615 36 S HA 0.620 5.090 4.470 -0.001 0.000 0.269 36 S C -0.241 174.351 174.600 -0.014 0.000 1.161 36 S CA -0.434 57.747 58.200 -0.032 0.000 0.817 36 S CB 1.501 64.684 63.200 -0.029 0.000 1.131 36 S HN 0.963 nan 8.310 nan 0.000 0.467 37 A N 0.238 123.040 122.820 -0.031 0.000 2.745 37 A HA -0.132 4.187 4.320 -0.001 0.000 0.296 37 A C 0.722 178.268 177.584 -0.063 0.000 1.500 37 A CA 1.099 53.120 52.037 -0.027 0.000 0.766 37 A CB -2.512 16.527 19.000 0.065 0.000 1.030 37 A HN 1.137 nan 8.150 nan 0.000 0.489 38 L N -1.734 119.447 121.223 -0.071 0.000 2.599 38 L HA 0.003 4.343 4.340 -0.001 0.000 0.230 38 L C 1.672 178.493 176.870 -0.082 0.000 1.141 38 L CA 1.242 56.035 54.840 -0.077 0.000 0.877 38 L CB -0.312 41.705 42.059 -0.069 0.000 1.009 38 L HN 0.660 nan 8.230 nan 0.000 0.447 39 N N -1.206 117.444 118.700 -0.083 0.000 2.203 39 N HA 0.032 4.771 4.740 -0.001 0.000 0.207 39 N C -0.535 174.918 175.510 -0.096 0.000 1.130 39 N CA -0.388 52.610 53.050 -0.086 0.000 0.861 39 N CB 0.549 38.987 38.487 -0.082 0.000 1.005 39 N HN 0.129 nan 8.380 nan 0.000 0.507 40 D N 2.657 123.000 120.400 -0.095 0.000 2.434 40 D HA -0.005 4.635 4.640 -0.001 0.000 0.252 40 D C 0.244 176.465 176.300 -0.131 0.000 1.185 40 D CA 0.865 54.803 54.000 -0.103 0.000 0.886 40 D CB 0.471 41.222 40.800 -0.081 0.000 1.148 40 D HN 0.348 nan 8.370 nan 0.000 0.483 41 Q N 0.717 120.417 119.800 -0.166 0.000 2.534 41 Q HA 0.672 5.011 4.340 -0.001 0.000 0.290 41 Q C -0.327 175.483 176.000 -0.317 0.000 0.991 41 Q CA -1.339 54.331 55.803 -0.222 0.000 0.783 41 Q CB 1.008 29.646 28.738 -0.166 0.000 1.470 41 Q HN 0.328 nan 8.270 nan 0.000 0.406 42 G N 0.247 108.776 108.800 -0.453 0.000 2.525 42 G HA2 0.180 4.139 3.960 -0.001 0.000 0.287 42 G HA3 0.180 4.139 3.960 -0.001 0.000 0.287 42 G C -0.064 174.722 174.900 -0.190 0.000 1.350 42 G CA -0.216 44.509 45.100 -0.625 0.000 1.039 42 G HN 0.705 nan 8.290 nan 0.000 0.513 43 D N -0.537 119.887 120.400 0.040 0.000 2.158 43 D HA -0.084 4.556 4.640 -0.001 0.000 0.197 43 D C 2.155 178.463 176.300 0.013 0.000 0.995 43 D CA 1.245 55.293 54.000 0.080 0.000 0.846 43 D CB 0.119 41.013 40.800 0.158 0.000 0.941 43 D HN 0.272 nan 8.370 nan 0.000 0.456 44 Q N -1.214 118.582 119.800 -0.008 0.000 2.246 44 Q HA 0.396 4.735 4.340 -0.001 0.000 0.202 44 Q C 0.997 176.961 176.000 -0.058 0.000 0.883 44 Q CA 0.427 56.214 55.803 -0.026 0.000 0.952 44 Q CB 0.854 29.582 28.738 -0.017 0.000 1.078 44 Q HN 0.252 nan 8.270 nan 0.000 0.493 45 G N 0.111 108.858 108.800 -0.089 0.000 2.141 45 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.242 45 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.242 45 G C -0.249 174.573 174.900 -0.130 0.000 0.982 45 G CA -0.276 44.762 45.100 -0.104 0.000 0.662 45 G HN 0.320 nan 8.290 nan 0.000 0.527 46 Q N 0.679 120.379 119.800 -0.166 0.000 2.361 46 Q HA 0.405 4.744 4.340 -0.001 0.000 0.276 46 Q C 0.328 176.203 176.000 -0.208 0.000 1.022 46 Q CA 0.273 55.968 55.803 -0.181 0.000 0.898 46 Q CB 0.689 29.299 28.738 -0.214 0.000 1.246 46 Q HN 0.388 nan 8.270 nan 0.000 0.410 47 D N 2.093 122.393 120.400 -0.167 0.000 2.401 47 D HA -0.000 4.639 4.640 -0.001 0.000 0.254 47 D C -0.554 175.637 176.300 -0.181 0.000 1.192 47 D CA 0.416 54.322 54.000 -0.158 0.000 0.885 47 D CB 0.471 41.192 40.800 -0.132 0.000 1.147 47 D HN 0.518 nan 8.370 nan 0.000 0.478 48 L N 3.463 124.589 121.223 -0.162 0.000 3.289 48 L HA 0.153 4.492 4.340 -0.001 0.000 0.291 48 L C 0.629 177.513 176.870 0.024 0.000 1.279 48 L CA -0.413 54.367 54.840 -0.101 0.000 1.025 48 L CB 0.217 42.182 42.059 -0.156 0.000 1.413 48 L HN 0.429 nan 8.230 nan 0.000 0.593 49 T N -1.999 112.516 114.554 -0.065 0.000 2.899 49 T HA 0.661 5.011 4.350 -0.001 0.000 0.295 49 T C 0.680 175.291 174.700 -0.147 0.000 1.033 49 T CA 0.406 62.442 62.100 -0.108 0.000 1.084 49 T CB 2.071 70.859 68.868 -0.133 0.000 0.979 49 T HN 0.436 nan 8.240 nan 0.000 0.532 50 G N 0.199 108.843 108.800 -0.260 0.000 2.447 50 G HA2 0.443 4.403 3.960 -0.001 0.000 0.220 50 G HA3 0.443 4.403 3.960 -0.001 0.000 0.220 50 G C 0.225 174.779 174.900 -0.577 0.000 1.261 50 G CA 0.021 44.865 45.100 -0.426 0.000 1.000 50 G HN 2.631 nan 8.290 nan 0.000 0.515 51 G N -2.087 106.300 108.800 -0.689 0.000 2.741 51 G HA2 0.275 4.235 3.960 -0.001 0.000 0.222 51 G HA3 0.275 4.235 3.960 -0.001 0.000 0.222 51 G C -0.512 174.113 174.900 -0.460 0.000 1.364 51 G CA 0.454 45.105 45.100 -0.747 0.000 0.866 51 G HN 1.873 nan 8.290 nan 0.000 0.555 52 Y N -0.960 119.208 120.300 -0.219 0.000 2.409 52 Y HA 0.670 5.220 4.550 -0.001 0.000 0.339 52 Y C 0.614 176.431 175.900 -0.138 0.000 1.033 52 Y CA -0.793 57.215 58.100 -0.153 0.000 1.094 52 Y CB 1.380 39.850 38.460 0.017 0.000 1.210 52 Y HN 0.475 nan 8.280 nan 0.000 0.456 53 F N 1.467 121.533 119.950 0.192 0.000 2.471 53 F HA 0.045 4.572 4.527 -0.001 0.000 0.353 53 F C 1.477 177.371 175.800 0.156 0.000 1.113 53 F CA -0.521 57.566 58.000 0.145 0.000 1.262 53 F CB 0.578 39.698 39.000 0.200 0.000 1.146 53 F HN 0.609 nan 8.300 nan 0.000 0.578 54 D N 1.223 121.838 120.400 0.359 0.000 2.077 54 D HA -0.010 4.629 4.640 -0.001 0.000 0.196 54 D C 1.030 177.481 176.300 0.250 0.000 0.986 54 D CA 1.962 56.147 54.000 0.309 0.000 0.829 54 D CB 0.279 41.358 40.800 0.465 0.000 0.983 54 D HN 0.549 nan 8.370 nan 0.000 0.453 55 A N -1.403 121.549 122.820 0.220 0.000 2.841 55 A HA 0.586 4.905 4.320 -0.001 0.000 0.188 55 A C 1.521 179.186 177.584 0.136 0.000 1.149 55 A CA 0.185 52.331 52.037 0.182 0.000 1.384 55 A CB -0.302 18.776 19.000 0.131 0.000 1.874 55 A HN 0.157 nan 8.150 nan 0.000 0.643 56 G N 0.536 109.363 108.800 0.045 0.000 2.985 56 G HA2 0.326 4.285 3.960 -0.001 0.000 0.209 56 G HA3 0.326 4.285 3.960 -0.001 0.000 0.209 56 G C 0.106 174.596 174.900 -0.685 0.000 1.165 56 G CA 1.017 45.989 45.100 -0.214 0.000 0.776 56 G HN 0.731 nan 8.290 nan 0.000 0.541 57 D N -0.782 119.299 120.400 -0.531 0.000 2.595 57 D HA 0.376 5.016 4.640 -0.001 0.000 0.268 57 D C -0.130 175.606 176.300 -0.940 0.000 1.181 57 D CA -1.362 52.207 54.000 -0.719 0.000 1.085 57 D CB 0.323 41.044 40.800 -0.130 0.000 1.186 57 D HN 0.051 nan 8.370 nan 0.000 0.621 58 F N -0.748 119.062 119.950 -0.232 0.000 2.735 58 F HA 0.252 4.778 4.527 -0.001 0.000 0.308 58 F C 0.110 175.896 175.800 -0.024 0.000 1.112 58 F CA -0.764 56.963 58.000 -0.455 0.000 1.235 58 F CB 1.111 39.673 39.000 -0.731 0.000 1.027 58 F HN -0.131 nan 8.300 nan 0.000 0.528 59 V N 1.183 121.126 119.914 0.047 0.000 2.732 59 V HA 0.134 4.253 4.120 -0.001 0.000 0.297 59 V C 0.124 176.163 176.094 -0.092 0.000 1.060 59 V CA -0.638 61.554 62.300 -0.179 0.000 1.038 59 V CB 1.507 32.919 31.823 -0.685 0.000 1.003 59 V HN 0.146 nan 8.190 nan 0.000 0.481 60 K N 4.012 124.322 120.400 -0.151 0.000 2.357 60 K HA 0.412 4.732 4.320 -0.001 0.000 0.251 60 K C -1.213 175.366 176.600 -0.034 0.000 1.069 60 K CA -0.074 56.189 56.287 -0.041 0.000 0.994 60 K CB 0.388 32.831 32.500 -0.094 0.000 1.411 60 K HN 0.423 nan 8.250 nan 0.000 0.450 61 F N 1.296 121.337 119.950 0.151 0.000 2.405 61 F HA 0.176 4.702 4.527 -0.001 0.000 0.358 61 F C 1.616 177.511 175.800 0.158 0.000 1.151 61 F CA -0.458 57.629 58.000 0.144 0.000 1.161 61 F CB 0.960 39.959 39.000 -0.002 0.000 1.245 61 F HN 0.675 nan 8.300 nan 0.000 0.545 62 G N 3.308 112.368 108.800 0.433 0.000 2.450 62 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.220 62 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.220 62 G C 1.627 176.728 174.900 0.335 0.000 1.130 62 G CA 0.561 45.921 45.100 0.433 0.000 0.760 62 G HN 0.519 nan 8.290 nan 0.000 0.557 63 F N 2.840 122.784 119.950 -0.011 0.000 2.060 63 F HA 0.044 4.571 4.527 -0.001 0.000 0.295 63 F C 0.099 175.925 175.800 0.043 0.000 1.120 63 F CA 0.702 58.641 58.000 -0.103 0.000 1.205 63 F CB -1.041 37.801 39.000 -0.263 0.000 0.986 63 F HN 0.114 nan 8.300 nan 0.000 0.470 64 P HA -0.178 nan 4.420 nan 0.000 0.223 64 P C 2.180 179.559 177.300 0.132 0.000 1.151 64 P CA 1.468 64.451 63.100 -0.195 0.000 0.787 64 P CB -0.320 30.916 31.700 -0.774 0.000 0.788 65 M N -0.288 119.437 119.600 0.207 0.000 2.132 65 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 65 M C 2.075 178.682 176.300 0.511 0.000 1.065 65 M CA 1.864 57.399 55.300 0.392 0.000 1.122 65 M CB -0.387 32.521 32.600 0.512 0.000 1.365 65 M HN -0.090 nan 8.290 nan 0.000 0.411 66 A N -0.569 122.472 122.820 0.368 0.000 1.898 66 A HA -0.234 4.085 4.320 -0.001 0.000 0.216 66 A C 1.921 179.632 177.584 0.211 0.000 1.181 66 A CA 1.507 53.634 52.037 0.149 0.000 0.620 66 A CB -1.256 17.649 19.000 -0.159 0.000 0.819 66 A HN 0.712 nan 8.150 nan 0.000 0.442 67 Y N 1.445 121.812 120.300 0.111 0.000 2.128 67 Y HA -0.222 4.327 4.550 -0.001 0.000 0.284 67 Y C 2.508 178.525 175.900 0.195 0.000 1.154 67 Y CA 2.419 60.602 58.100 0.138 0.000 1.149 67 Y CB -0.912 37.579 38.460 0.051 0.000 0.976 67 Y HN 0.286 nan 8.280 nan 0.000 0.505 68 T N 1.018 115.624 114.554 0.086 0.000 2.684 68 T HA -0.251 4.098 4.350 -0.001 0.000 0.267 68 T C 2.130 176.801 174.700 -0.048 0.000 1.036 68 T CA 1.820 63.917 62.100 -0.005 0.000 1.148 68 T CB -0.904 68.061 68.868 0.161 0.000 0.863 68 T HN 0.537 nan 8.240 nan 0.000 0.436 69 A N 1.270 124.154 122.820 0.106 0.000 1.902 69 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 69 A C 2.571 180.152 177.584 -0.005 0.000 1.181 69 A CA 2.173 54.282 52.037 0.121 0.000 0.623 69 A CB -1.272 17.960 19.000 0.387 0.000 0.818 69 A HN 0.501 nan 8.150 nan 0.000 0.443 70 T N -0.352 114.171 114.554 -0.051 0.000 2.708 70 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 70 T C 1.865 176.523 174.700 -0.071 0.000 1.037 70 T CA 1.642 63.623 62.100 -0.198 0.000 1.146 70 T CB -0.468 68.339 68.868 -0.103 0.000 0.865 70 T HN 0.155 nan 8.240 nan 0.000 0.435 71 V N 1.428 121.330 119.914 -0.020 0.000 2.427 71 V HA -0.071 4.049 4.120 -0.001 0.000 0.248 71 V C 2.484 178.612 176.094 0.057 0.000 1.051 71 V CA 1.291 63.666 62.300 0.124 0.000 1.048 71 V CB -0.678 31.053 31.823 -0.153 0.000 0.666 71 V HN 0.427 nan 8.190 nan 0.000 0.456 72 L N 0.041 121.243 121.223 -0.036 0.000 2.056 72 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 72 L C 2.746 179.623 176.870 0.011 0.000 1.078 72 L CA 1.585 56.407 54.840 -0.029 0.000 0.749 72 L CB -0.793 41.196 42.059 -0.116 0.000 0.901 72 L HN 0.366 nan 8.230 nan 0.000 0.433 73 A N -0.662 122.148 122.820 -0.016 0.000 1.902 73 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 73 A C 2.026 179.678 177.584 0.113 0.000 1.181 73 A CA 1.332 53.344 52.037 -0.042 0.000 0.623 73 A CB -0.961 17.950 19.000 -0.148 0.000 0.818 73 A HN 0.612 nan 8.150 nan 0.000 0.443 74 W N 0.917 122.208 121.300 -0.016 0.000 2.335 74 W HA -0.128 4.531 4.660 -0.001 0.000 0.311 74 W C 2.247 178.954 176.519 0.313 0.000 1.213 74 W CA 1.616 59.120 57.345 0.266 0.000 1.274 74 W CB -1.016 28.718 29.460 0.458 0.000 1.148 74 W HN 0.256 nan 8.180 nan 0.000 0.498 75 G N 0.334 109.366 108.800 0.387 0.000 2.422 75 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 75 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 75 G C 1.740 176.879 174.900 0.399 0.000 1.140 75 G CA 0.944 46.288 45.100 0.408 0.000 0.775 75 G HN 0.306 nan 8.290 nan 0.000 0.545 76 L N -0.096 121.243 121.223 0.195 0.000 2.141 76 L HA 0.058 4.397 4.340 -0.001 0.000 0.209 76 L C 2.746 179.631 176.870 0.024 0.000 1.094 76 L CA 0.540 55.363 54.840 -0.029 0.000 0.763 76 L CB -0.145 41.736 42.059 -0.296 0.000 0.908 76 L HN 0.245 nan 8.230 nan 0.000 0.437 77 I N -0.680 119.945 120.570 0.091 0.000 2.277 77 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 77 I C 1.806 177.926 176.117 0.005 0.000 1.094 77 I CA 1.080 62.424 61.300 0.073 0.000 1.393 77 I CB -0.220 37.892 38.000 0.187 0.000 1.078 77 I HN 0.174 nan 8.210 nan 0.000 0.417 78 D N 0.259 120.626 120.400 -0.055 0.000 2.249 78 D HA -0.023 4.617 4.640 -0.001 0.000 0.205 78 D C 0.548 176.379 176.300 -0.783 0.000 0.962 78 D CA 1.220 54.929 54.000 -0.484 0.000 0.860 78 D CB 0.192 40.521 40.800 -0.785 0.000 0.955 78 D HN 0.241 nan 8.370 nan 0.000 0.505 79 F N 0.257 120.281 119.950 0.124 0.000 2.818 79 F HA 0.243 4.770 4.527 -0.001 0.000 0.369 79 F C 1.514 177.414 175.800 0.167 0.000 1.327 79 F CA -0.775 57.288 58.000 0.106 0.000 1.211 79 F CB 0.154 39.206 39.000 0.087 0.000 1.036 79 F HN -0.210 nan 8.300 nan 0.000 0.510 80 E N 1.366 121.691 120.200 0.209 0.000 2.118 80 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 80 E C 2.297 179.020 176.600 0.204 0.000 0.992 80 E CA 1.398 57.912 56.400 0.189 0.000 0.804 80 E CB 0.203 29.938 29.700 0.058 0.000 0.741 80 E HN 0.478 nan 8.360 nan 0.000 0.458 81 A N 0.750 123.664 122.820 0.156 0.000 1.978 81 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 81 A C 2.370 180.027 177.584 0.122 0.000 1.170 81 A CA 1.713 53.822 52.037 0.121 0.000 0.636 81 A CB -1.116 17.942 19.000 0.096 0.000 0.810 81 A HN 0.467 nan 8.150 nan 0.000 0.448 82 G N -1.706 107.181 108.800 0.144 0.000 2.402 82 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 82 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 82 G C 1.464 176.366 174.900 0.003 0.000 1.162 82 G CA 1.146 46.269 45.100 0.037 0.000 0.777 82 G HN 0.550 nan 8.290 nan 0.000 0.539 83 Y N 1.430 121.759 120.300 0.049 0.000 2.163 83 Y HA -0.086 4.464 4.550 -0.001 0.000 0.288 83 Y C 3.382 179.302 175.900 0.033 0.000 1.136 83 Y CA 1.544 59.666 58.100 0.036 0.000 1.147 83 Y CB -0.205 38.274 38.460 0.031 0.000 0.987 83 Y HN 0.160 nan 8.280 nan 0.000 0.509 84 S N -0.704 115.113 115.700 0.195 0.000 2.368 84 S HA -0.201 4.269 4.470 -0.001 0.000 0.225 84 S C 2.216 176.867 174.600 0.084 0.000 1.030 84 S CA 1.529 59.799 58.200 0.117 0.000 0.999 84 S CB -0.478 62.776 63.200 0.091 0.000 0.844 84 S HN 0.377 nan 8.310 nan 0.000 0.459 85 S N 1.318 117.062 115.700 0.073 0.000 2.399 85 S HA 0.023 4.493 4.470 -0.001 0.000 0.231 85 S C 1.885 176.513 174.600 0.048 0.000 1.022 85 S CA 0.897 59.130 58.200 0.054 0.000 0.983 85 S CB -0.257 62.972 63.200 0.048 0.000 0.803 85 S HN 0.595 nan 8.310 nan 0.000 0.480 86 A N 0.335 123.180 122.820 0.042 0.000 2.251 86 A HA 0.499 4.819 4.320 -0.001 0.000 0.209 86 A C 1.497 179.113 177.584 0.054 0.000 1.187 86 A CA 0.581 52.638 52.037 0.033 0.000 0.823 86 A CB -0.775 18.218 19.000 -0.011 0.000 0.846 86 A HN 0.799 nan 8.150 nan 0.000 0.486 87 G N -1.690 107.151 108.800 0.068 0.000 2.273 87 G HA2 0.013 3.972 3.960 -0.001 0.000 0.280 87 G HA3 0.013 3.972 3.960 -0.001 0.000 0.280 87 G C 0.574 175.527 174.900 0.089 0.000 1.047 87 G CA 0.384 45.527 45.100 0.071 0.000 0.869 87 G HN 1.619 nan 8.290 nan 0.000 0.502 88 A N -1.089 121.808 122.820 0.129 0.000 2.610 88 A HA 0.635 4.955 4.320 -0.001 0.000 0.291 88 A C 1.676 179.404 177.584 0.241 0.000 1.116 88 A CA 0.911 53.054 52.037 0.177 0.000 0.963 88 A CB 0.113 19.225 19.000 0.186 0.000 1.220 88 A HN 1.054 nan 8.150 nan 0.000 0.530 89 L N 0.117 121.441 121.223 0.169 0.000 2.017 89 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 89 L C 1.629 178.504 176.870 0.008 0.000 1.073 89 L CA 2.547 57.436 54.840 0.082 0.000 0.745 89 L CB -0.403 41.687 42.059 0.053 0.000 0.894 89 L HN 0.386 nan 8.230 nan 0.000 0.432 90 D N -0.277 120.147 120.400 0.039 0.000 2.104 90 D HA -0.187 4.452 4.640 -0.001 0.000 0.194 90 D C 1.839 178.168 176.300 0.049 0.000 0.994 90 D CA 1.526 55.548 54.000 0.038 0.000 0.830 90 D CB -0.253 40.575 40.800 0.047 0.000 0.959 90 D HN 0.395 nan 8.370 nan 0.000 0.452 91 D N -0.270 120.173 120.400 0.073 0.000 2.144 91 D HA -0.057 4.582 4.640 -0.001 0.000 0.200 91 D C 2.151 178.501 176.300 0.084 0.000 0.978 91 D CA 1.240 55.293 54.000 0.088 0.000 0.833 91 D CB -0.618 40.247 40.800 0.109 0.000 0.961 91 D HN 0.264 nan 8.370 nan 0.000 0.470 92 G N 0.585 109.418 108.800 0.055 0.000 2.418 92 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.217 92 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.217 92 G C 1.721 176.523 174.900 -0.163 0.000 1.158 92 G CA 0.470 45.501 45.100 -0.115 0.000 0.771 92 G HN 0.232 nan 8.290 nan 0.000 0.545 93 R N 0.294 120.708 120.500 -0.144 0.000 2.081 93 R HA 0.020 4.359 4.340 -0.001 0.000 0.235 93 R C 2.627 179.034 176.300 0.178 0.000 1.131 93 R CA 1.300 57.353 56.100 -0.079 0.000 0.960 93 R CB -0.207 30.027 30.300 -0.109 0.000 0.856 93 R HN 0.284 nan 8.270 nan 0.000 0.436 94 K N 0.293 120.779 120.400 0.145 0.000 2.147 94 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 94 K C 2.117 178.840 176.600 0.205 0.000 1.049 94 K CA 1.246 57.639 56.287 0.178 0.000 0.936 94 K CB -0.083 32.497 32.500 0.134 0.000 0.722 94 K HN 0.152 nan 8.250 nan 0.000 0.446 95 A N 0.935 123.847 122.820 0.152 0.000 1.930 95 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 95 A C 2.337 180.042 177.584 0.201 0.000 1.175 95 A CA 1.281 53.422 52.037 0.173 0.000 0.627 95 A CB -0.498 18.523 19.000 0.035 0.000 0.815 95 A HN 0.061 nan 8.150 nan 0.000 0.443 96 V N 0.035 120.033 119.914 0.139 0.000 2.323 96 V HA -0.217 3.902 4.120 -0.001 0.000 0.244 96 V C 2.498 178.722 176.094 0.218 0.000 1.041 96 V CA 2.266 64.662 62.300 0.160 0.000 1.025 96 V CB -0.590 31.314 31.823 0.134 0.000 0.656 96 V HN 0.662 nan 8.190 nan 0.000 0.451 97 K N -0.977 119.588 120.400 0.274 0.000 2.209 97 K HA -0.229 4.091 4.320 -0.001 0.000 0.204 97 K C 2.103 178.691 176.600 -0.020 0.000 1.048 97 K CA 1.448 57.816 56.287 0.136 0.000 0.940 97 K CB -0.206 32.304 32.500 0.016 0.000 0.729 97 K HN 0.636 nan 8.250 nan 0.000 0.451 98 W N 1.031 122.242 121.300 -0.148 0.000 2.363 98 W HA -0.178 4.481 4.660 -0.001 0.000 0.296 98 W C 1.689 177.935 176.519 -0.455 0.000 1.212 98 W CA 1.819 58.958 57.345 -0.343 0.000 1.260 98 W CB -0.106 29.058 29.460 -0.493 0.000 1.131 98 W HN 0.220 nan 8.180 nan 0.000 0.530 99 A N 0.313 123.030 122.820 -0.171 0.000 1.874 99 A HA -0.176 4.144 4.320 -0.001 0.000 0.214 99 A C 1.962 179.016 177.584 -0.884 0.000 1.189 99 A CA 2.581 54.354 52.037 -0.440 0.000 0.615 99 A CB -1.388 17.559 19.000 -0.090 0.000 0.830 99 A HN 0.297 nan 8.150 nan 0.000 0.443 100 T N -2.126 112.184 114.554 -0.407 0.000 2.833 100 T HA -0.150 4.200 4.350 -0.001 0.000 0.269 100 T C 1.303 175.912 174.700 -0.151 0.000 1.054 100 T CA 1.582 63.565 62.100 -0.194 0.000 1.135 100 T CB -0.477 68.438 68.868 0.079 0.000 0.869 100 T HN 0.300 nan 8.240 nan 0.000 0.466 101 D N 0.247 120.540 120.400 -0.178 0.000 2.144 101 D HA -0.059 4.581 4.640 -0.001 0.000 0.199 101 D C 1.584 177.752 176.300 -0.220 0.000 0.984 101 D CA 0.966 54.853 54.000 -0.188 0.000 0.834 101 D CB -0.415 40.178 40.800 -0.346 0.000 0.955 101 D HN 0.556 nan 8.370 nan 0.000 0.465 102 Y N 0.486 120.522 120.300 -0.439 0.000 2.220 102 Y HA -0.169 4.380 4.550 -0.001 0.000 0.291 102 Y C 1.862 177.699 175.900 -0.105 0.000 1.129 102 Y CA 1.178 59.067 58.100 -0.352 0.000 1.161 102 Y CB -0.457 37.740 38.460 -0.438 0.000 0.997 102 Y HN -0.188 nan 8.280 nan 0.000 0.522 103 F N 0.213 120.114 119.950 -0.082 0.000 2.202 103 F HA -0.208 4.318 4.527 -0.001 0.000 0.301 103 F C 2.321 178.088 175.800 -0.055 0.000 1.082 103 F CA 0.933 58.929 58.000 -0.006 0.000 1.313 103 F CB -1.276 37.807 39.000 0.137 0.000 1.024 103 F HN 0.102 nan 8.300 nan 0.000 0.495 104 I N -0.124 120.426 120.570 -0.033 0.000 2.315 104 I HA -0.287 3.883 4.170 -0.001 0.000 0.248 104 I C 2.279 178.298 176.117 -0.163 0.000 1.117 104 I CA 1.311 62.454 61.300 -0.261 0.000 1.404 104 I CB -0.402 37.405 38.000 -0.322 0.000 1.071 104 I HN 0.089 nan 8.210 nan 0.000 0.419 105 K N 0.857 121.142 120.400 -0.192 0.000 2.097 105 K HA -0.070 4.249 4.320 -0.001 0.000 0.205 105 K C 2.185 178.653 176.600 -0.221 0.000 1.050 105 K CA 1.380 57.545 56.287 -0.203 0.000 0.938 105 K CB -0.214 32.142 32.500 -0.241 0.000 0.718 105 K HN 0.269 nan 8.250 nan 0.000 0.442 106 A N 0.927 123.539 122.820 -0.346 0.000 2.067 106 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 106 A C 0.973 178.511 177.584 -0.077 0.000 1.158 106 A CA 0.772 52.565 52.037 -0.408 0.000 0.661 106 A CB -0.635 17.833 19.000 -0.887 0.000 0.801 106 A HN 0.366 nan 8.150 nan 0.000 0.452 107 H N 1.367 120.488 119.070 0.085 0.000 2.855 107 H HA 0.152 4.708 4.556 -0.001 0.000 0.238 107 H C 1.258 176.681 175.328 0.157 0.000 1.847 107 H CA 0.238 56.469 56.048 0.305 0.000 1.368 107 H CB 0.143 30.119 29.762 0.356 0.000 1.758 107 H HN 0.487 nan 8.280 nan 0.000 0.546 108 T N -0.442 114.189 114.554 0.127 0.000 2.962 108 T HA -0.052 4.298 4.350 -0.001 0.000 0.270 108 T C 0.871 175.527 174.700 -0.072 0.000 1.088 108 T CA 0.318 62.436 62.100 0.030 0.000 1.127 108 T CB 0.255 69.208 68.868 0.141 0.000 0.883 108 T HN 0.274 nan 8.240 nan 0.000 0.493 109 S N -1.169 114.437 115.700 -0.156 0.000 2.570 109 S HA 0.394 4.864 4.470 -0.001 0.000 0.270 109 S C 0.047 174.448 174.600 -0.332 0.000 1.149 109 S CA -0.713 57.359 58.200 -0.213 0.000 0.837 109 S CB 1.798 64.913 63.200 -0.141 0.000 1.124 109 S HN 0.083 nan 8.310 nan 0.000 0.465 110 Q N 1.568 121.213 119.800 -0.257 0.000 2.096 110 Q HA 0.003 4.342 4.340 -0.001 0.000 0.208 110 Q C 0.485 176.466 176.000 -0.031 0.000 0.993 110 Q CA 1.922 57.656 55.803 -0.115 0.000 0.862 110 Q CB -0.073 28.637 28.738 -0.047 0.000 0.915 110 Q HN 0.516 nan 8.270 nan 0.000 0.416 111 N N 0.532 119.058 118.700 -0.289 0.000 2.458 111 N HA 0.113 4.852 4.740 -0.001 0.000 0.274 111 N C -1.074 173.789 175.510 -1.077 0.000 1.242 111 N CA 0.059 52.612 53.050 -0.828 0.000 0.904 111 N CB 0.763 38.890 38.487 -0.601 0.000 1.206 111 N HN 0.271 nan 8.380 nan 0.000 0.510 112 E N 0.517 120.396 120.200 -0.536 0.000 2.290 112 E HA 0.373 4.722 4.350 -0.001 0.000 0.274 112 E C -1.822 174.837 176.600 0.099 0.000 0.889 112 E CA -0.568 55.667 56.400 -0.274 0.000 0.760 112 E CB 1.730 31.326 29.700 -0.173 0.000 1.206 112 E HN -0.048 nan 8.360 nan 0.000 0.419 113 F N 4.180 124.106 119.950 -0.040 0.000 2.588 113 F HA 0.384 4.910 4.527 -0.001 0.000 0.318 113 F C -1.889 173.916 175.800 0.010 0.000 1.155 113 F CA -0.563 57.496 58.000 0.098 0.000 0.967 113 F CB 1.031 40.145 39.000 0.190 0.000 1.236 113 F HN 0.424 nan 8.300 nan 0.000 0.455 114 Y N 4.263 124.197 120.300 -0.610 0.000 2.393 114 Y HA 0.376 4.925 4.550 -0.001 0.000 0.338 114 Y C 1.211 176.803 175.900 -0.513 0.000 1.029 114 Y CA 0.524 58.381 58.100 -0.405 0.000 1.239 114 Y CB 1.564 39.829 38.460 -0.326 0.000 1.170 114 Y HN 0.775 nan 8.280 nan 0.000 0.515 115 G N 2.639 111.465 108.800 0.044 0.000 3.126 115 G HA2 0.129 4.088 3.960 -0.001 0.000 0.224 115 G HA3 0.129 4.088 3.960 -0.001 0.000 0.224 115 G C -0.107 174.996 174.900 0.340 0.000 1.142 115 G CA 0.042 45.289 45.100 0.246 0.000 0.759 115 G HN 0.551 nan 8.290 nan 0.000 0.550 116 Q N -0.415 119.561 119.800 0.293 0.000 2.503 116 Q HA 0.469 4.808 4.340 -0.001 0.000 0.268 116 Q C -2.253 173.800 176.000 0.089 0.000 0.982 116 Q CA -0.489 55.456 55.803 0.235 0.000 0.907 116 Q CB 2.638 31.591 28.738 0.359 0.000 1.467 116 Q HN -0.046 nan 8.270 nan 0.000 0.394 117 V N 2.200 122.108 119.914 -0.011 0.000 2.525 117 V HA 0.900 5.020 4.120 -0.001 0.000 0.299 117 V C -0.056 175.950 176.094 -0.145 0.000 1.034 117 V CA 0.304 62.550 62.300 -0.090 0.000 0.863 117 V CB 1.374 33.182 31.823 -0.026 0.000 0.999 117 V HN 1.040 nan 8.190 nan 0.000 0.423 118 G N 3.629 112.316 108.800 -0.189 0.000 2.788 118 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.686 118 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.686 118 G C -1.070 173.737 174.900 -0.155 0.000 1.147 118 G CA -0.437 44.568 45.100 -0.159 0.000 0.755 118 G HN 0.846 nan 8.290 nan 0.000 0.634 119 Q N 1.017 120.766 119.800 -0.084 0.000 2.245 119 Q HA 0.568 4.907 4.340 -0.001 0.000 0.256 119 Q C 1.666 177.586 176.000 -0.133 0.000 0.942 119 Q CA 0.111 55.928 55.803 0.024 0.000 0.896 119 Q CB 1.181 29.991 28.738 0.120 0.000 1.272 119 Q HN 1.195 nan 8.270 nan 0.000 0.442 120 G N 3.934 112.629 108.800 -0.176 0.000 2.553 120 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.218 120 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.218 120 G C 0.670 175.343 174.900 -0.379 0.000 1.195 120 G CA 1.287 46.054 45.100 -0.555 0.000 0.779 120 G HN 0.755 nan 8.290 nan 0.000 0.577 121 D N 0.862 121.264 120.400 0.004 0.000 2.097 121 D HA 0.004 4.644 4.640 -0.001 0.000 0.195 121 D C 2.856 179.211 176.300 0.092 0.000 0.989 121 D CA 1.367 55.424 54.000 0.095 0.000 0.827 121 D CB -0.724 40.156 40.800 0.134 0.000 0.966 121 D HN 0.317 nan 8.370 nan 0.000 0.456 122 A N 0.662 123.519 122.820 0.061 0.000 1.908 122 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 122 A C 1.984 179.625 177.584 0.097 0.000 1.181 122 A CA 2.205 54.287 52.037 0.075 0.000 0.627 122 A CB -0.773 18.250 19.000 0.039 0.000 0.818 122 A HN 0.232 nan 8.150 nan 0.000 0.445 123 D N -1.449 118.968 120.400 0.029 0.000 2.097 123 D HA -0.150 4.489 4.640 -0.001 0.000 0.197 123 D C 1.687 178.151 176.300 0.274 0.000 0.984 123 D CA 1.375 55.427 54.000 0.086 0.000 0.826 123 D CB -0.236 40.537 40.800 -0.045 0.000 0.973 123 D HN 0.730 nan 8.370 nan 0.000 0.460 124 H N -0.990 118.162 119.070 0.136 0.000 2.546 124 H HA 0.151 4.707 4.556 -0.001 0.000 0.277 124 H C 1.691 177.235 175.328 0.360 0.000 1.004 124 H CA 0.324 56.491 56.048 0.198 0.000 1.231 124 H CB 0.247 30.117 29.762 0.180 0.000 1.382 124 H HN 0.170 nan 8.280 nan 0.000 0.580 125 A N 0.948 124.042 122.820 0.458 0.000 2.167 125 A HA -0.024 4.296 4.320 -0.001 0.000 0.214 125 A C 0.454 178.468 177.584 0.717 0.000 1.151 125 A CA 0.097 52.418 52.037 0.473 0.000 0.735 125 A CB -0.356 18.822 19.000 0.297 0.000 0.802 125 A HN 0.297 nan 8.150 nan 0.000 0.467 126 F N -0.757 119.435 119.950 0.404 0.000 2.443 126 F HA 0.558 5.084 4.527 -0.001 0.000 0.335 126 F C -0.738 175.035 175.800 -0.045 0.000 1.104 126 F CA -1.554 56.596 58.000 0.249 0.000 1.013 126 F CB 0.868 39.945 39.000 0.128 0.000 1.136 126 F HN 0.213 nan 8.300 nan 0.000 0.470 127 W N 8.148 128.596 121.300 -1.420 0.000 2.587 127 W HA 0.582 5.241 4.660 -0.001 0.000 0.324 127 W C -0.828 174.800 176.519 -1.485 0.000 1.008 127 W CA -0.511 55.877 57.345 -1.594 0.000 1.265 127 W CB 1.359 29.437 29.460 -2.303 0.000 1.328 127 W HN 0.969 nan 8.180 nan 0.000 0.432 128 G N 4.220 112.165 108.800 -1.426 0.000 2.335 128 G HA2 0.257 4.216 3.960 -0.001 0.000 0.291 128 G HA3 0.257 4.216 3.960 -0.001 0.000 0.291 128 G C -1.543 173.241 174.900 -0.193 0.000 1.261 128 G CA -1.213 43.459 45.100 -0.714 0.000 0.871 128 G HN 0.270 nan 8.290 nan 0.000 0.491 129 R N 1.305 121.828 120.500 0.038 0.000 2.490 129 R HA 0.296 4.636 4.340 -0.001 0.000 0.280 129 R C -1.302 174.928 176.300 -0.117 0.000 1.077 129 R CA -1.163 54.948 56.100 0.018 0.000 1.065 129 R CB 1.558 31.873 30.300 0.026 0.000 1.003 129 R HN 0.302 nan 8.270 nan 0.000 0.470 130 P HA -0.238 nan 4.420 nan 0.000 0.218 130 P C 0.579 177.592 177.300 -0.478 0.000 1.148 130 P CA 1.431 63.863 63.100 -1.114 0.000 0.822 130 P CB 0.173 30.965 31.700 -1.513 0.000 0.784 131 E N 0.011 120.059 120.200 -0.254 0.000 2.409 131 E HA -0.153 4.196 4.350 -0.001 0.000 0.198 131 E C 0.537 177.062 176.600 -0.126 0.000 1.024 131 E CA 0.921 57.232 56.400 -0.148 0.000 0.861 131 E CB -0.808 28.844 29.700 -0.079 0.000 0.788 131 E HN 0.238 nan 8.360 nan 0.000 0.521 132 D N 0.523 120.858 120.400 -0.108 0.000 2.349 132 D HA 0.139 4.779 4.640 -0.001 0.000 0.214 132 D C 0.495 176.662 176.300 -0.220 0.000 1.063 132 D CA 0.053 54.019 54.000 -0.057 0.000 0.847 132 D CB 0.037 40.902 40.800 0.109 0.000 0.933 132 D HN 0.216 nan 8.370 nan 0.000 0.513 133 M N 0.371 119.705 119.600 -0.443 0.000 2.248 133 M HA 0.013 4.492 4.480 -0.001 0.000 0.345 133 M C 1.231 177.311 176.300 -0.366 0.000 1.243 133 M CA 0.728 55.621 55.300 -0.679 0.000 1.090 133 M CB 0.811 33.049 32.600 -0.604 0.000 1.683 133 M HN -0.089 nan 8.290 nan 0.000 0.450 134 T N -1.094 113.265 114.554 -0.325 0.000 3.087 134 T HA 0.217 4.566 4.350 -0.001 0.000 0.283 134 T C 0.331 174.950 174.700 -0.135 0.000 0.956 134 T CA -0.641 61.356 62.100 -0.172 0.000 0.894 134 T CB 0.316 69.121 68.868 -0.104 0.000 1.160 134 T HN 0.665 nan 8.240 nan 0.000 0.532 135 M N 2.088 121.588 119.600 -0.167 0.000 2.228 135 M HA 0.763 5.242 4.480 -0.001 0.000 0.326 135 M C 0.087 176.333 176.300 -0.090 0.000 1.122 135 M CA -0.821 54.420 55.300 -0.097 0.000 1.161 135 M CB -0.039 32.516 32.600 -0.075 0.000 1.437 135 M HN 0.092 nan 8.290 nan 0.000 0.465 136 A N 3.149 125.935 122.820 -0.057 0.000 2.498 136 A HA 0.336 4.656 4.320 -0.001 0.000 0.239 136 A C -0.032 177.510 177.584 -0.071 0.000 1.068 136 A CA -0.240 51.763 52.037 -0.057 0.000 0.766 136 A CB -0.066 18.913 19.000 -0.034 0.000 1.003 136 A HN 0.855 nan 8.150 nan 0.000 0.497 137 R N 2.788 123.234 120.500 -0.090 0.000 2.477 137 R HA 0.276 4.615 4.340 -0.001 0.000 0.285 137 R C -2.605 173.600 176.300 -0.158 0.000 1.415 137 R CA -1.476 54.556 56.100 -0.113 0.000 1.446 137 R CB 0.994 31.233 30.300 -0.103 0.000 1.110 137 R HN 0.622 nan 8.270 nan 0.000 0.590 138 P HA 0.056 nan 4.420 nan 0.000 0.269 138 P C -0.834 176.148 177.300 -0.531 0.000 1.209 138 P CA -0.145 62.764 63.100 -0.319 0.000 0.776 138 P CB 1.227 32.747 31.700 -0.299 0.000 0.876 139 A N 2.900 125.472 122.820 -0.412 0.000 2.318 139 A HA 0.639 4.958 4.320 -0.001 0.000 0.324 139 A C -1.225 176.259 177.584 -0.166 0.000 1.170 139 A CA -0.506 51.377 52.037 -0.257 0.000 0.810 139 A CB 0.512 19.462 19.000 -0.082 0.000 1.198 139 A HN 0.435 nan 8.150 nan 0.000 0.484 140 Y N 1.252 121.687 120.300 0.225 0.000 2.429 140 Y HA 0.599 5.149 4.550 -0.001 0.000 0.342 140 Y C 0.525 176.422 175.900 -0.003 0.000 1.004 140 Y CA -0.936 57.235 58.100 0.120 0.000 1.075 140 Y CB 1.918 40.447 38.460 0.115 0.000 1.214 140 Y HN 0.780 nan 8.280 nan 0.000 0.455 141 K N 2.631 123.006 120.400 -0.041 0.000 2.444 141 K HA 0.867 5.187 4.320 -0.001 0.000 0.252 141 K C -1.332 175.241 176.600 -0.045 0.000 0.993 141 K CA -0.910 55.199 56.287 -0.297 0.000 0.847 141 K CB 2.560 34.460 32.500 -1.000 0.000 1.340 141 K HN 0.716 nan 8.250 nan 0.000 0.446 142 I N -1.257 119.346 120.570 0.054 0.000 2.648 142 I HA 0.633 4.802 4.170 -0.001 0.000 0.304 142 I C -1.365 174.873 176.117 0.202 0.000 1.009 142 I CA -0.659 60.755 61.300 0.189 0.000 1.114 142 I CB 1.826 40.019 38.000 0.321 0.000 1.293 142 I HN 0.918 nan 8.210 nan 0.000 0.449 143 D N 0.613 121.150 120.400 0.227 0.000 2.838 143 D HA 0.186 4.826 4.640 -0.001 0.000 0.334 143 D C 0.697 177.075 176.300 0.130 0.000 1.315 143 D CA 0.042 54.078 54.000 0.059 0.000 0.917 143 D CB 0.641 41.379 40.800 -0.103 0.000 1.435 143 D HN 0.631 nan 8.370 nan 0.000 0.517 144 T N -2.682 111.776 114.554 -0.161 0.000 2.929 144 T HA -0.119 4.230 4.350 -0.001 0.000 0.271 144 T C 1.552 176.191 174.700 -0.102 0.000 1.085 144 T CA 1.735 63.612 62.100 -0.372 0.000 1.125 144 T CB -0.640 67.830 68.868 -0.662 0.000 0.874 144 T HN 0.467 nan 8.240 nan 0.000 0.494 145 S N 0.897 116.573 115.700 -0.039 0.000 2.486 145 S HA 0.206 4.676 4.470 -0.001 0.000 0.220 145 S C 1.011 175.626 174.600 0.024 0.000 1.011 145 S CA -0.702 57.501 58.200 0.004 0.000 0.921 145 S CB -0.101 63.095 63.200 -0.006 0.000 0.785 145 S HN 0.560 nan 8.310 nan 0.000 0.517 146 R N 2.270 122.792 120.500 0.036 0.000 2.629 146 R HA 0.399 4.738 4.340 -0.001 0.000 0.275 146 R C -3.088 173.253 176.300 0.070 0.000 1.719 146 R CA -1.817 54.307 56.100 0.040 0.000 1.472 146 R CB 1.417 31.736 30.300 0.032 0.000 1.237 146 R HN 0.342 nan 8.270 nan 0.000 0.589 147 P HA 0.076 nan 4.420 nan 0.000 0.271 147 P C 0.065 177.309 177.300 -0.093 0.000 1.233 147 P CA -0.030 63.032 63.100 -0.064 0.000 0.789 147 P CB 1.038 32.677 31.700 -0.102 0.000 0.951 148 G N -0.176 108.483 108.800 -0.236 0.000 4.101 148 G HA2 0.186 4.145 3.960 -0.001 0.000 0.262 148 G HA3 0.186 4.145 3.960 -0.001 0.000 0.262 148 G C 0.725 175.464 174.900 -0.269 0.000 1.181 148 G CA -0.180 44.848 45.100 -0.119 0.000 0.640 148 G HN 0.311 nan 8.290 nan 0.000 0.467 149 S N 0.974 116.450 115.700 -0.373 0.000 2.383 149 S HA -0.151 4.318 4.470 -0.001 0.000 0.229 149 S C 2.209 176.742 174.600 -0.112 0.000 1.030 149 S CA 2.096 60.086 58.200 -0.350 0.000 1.002 149 S CB 0.001 62.854 63.200 -0.579 0.000 0.829 149 S HN 0.739 nan 8.310 nan 0.000 0.467 150 D N 1.780 122.157 120.400 -0.038 0.000 2.084 150 D HA -0.075 4.564 4.640 -0.001 0.000 0.196 150 D C 1.830 178.084 176.300 -0.076 0.000 0.985 150 D CA 0.510 54.520 54.000 0.017 0.000 0.826 150 D CB -0.810 39.923 40.800 -0.112 0.000 0.978 150 D HN 0.323 nan 8.370 nan 0.000 0.456 151 L N 0.677 121.717 121.223 -0.305 0.000 2.017 151 L HA 0.059 4.398 4.340 -0.001 0.000 0.208 151 L C 2.253 179.024 176.870 -0.165 0.000 1.073 151 L CA 2.071 56.759 54.840 -0.252 0.000 0.745 151 L CB -1.022 40.849 42.059 -0.314 0.000 0.894 151 L HN 0.094 nan 8.230 nan 0.000 0.432 152 A N -0.618 122.081 122.820 -0.201 0.000 1.930 152 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 152 A C 2.311 179.793 177.584 -0.171 0.000 1.175 152 A CA 1.414 53.279 52.037 -0.287 0.000 0.627 152 A CB -1.541 17.314 19.000 -0.241 0.000 0.815 152 A HN 0.544 nan 8.150 nan 0.000 0.443 153 G N -0.444 108.335 108.800 -0.034 0.000 2.421 153 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 153 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 153 G C 1.473 176.470 174.900 0.162 0.000 1.171 153 G CA 1.292 46.471 45.100 0.132 0.000 0.775 153 G HN 0.536 nan 8.290 nan 0.000 0.543 154 E N 0.377 120.701 120.200 0.207 0.000 2.110 154 E HA -0.065 4.284 4.350 -0.001 0.000 0.193 154 E C 2.623 179.215 176.600 -0.013 0.000 0.988 154 E CA 1.581 58.136 56.400 0.258 0.000 0.804 154 E CB -0.539 29.394 29.700 0.389 0.000 0.745 154 E HN 0.327 nan 8.360 nan 0.000 0.458 155 T N 0.024 114.451 114.554 -0.211 0.000 2.821 155 T HA -0.075 4.275 4.350 -0.001 0.000 0.267 155 T C 1.794 176.293 174.700 -0.334 0.000 1.046 155 T CA 1.255 63.059 62.100 -0.492 0.000 1.139 155 T CB -0.400 67.961 68.868 -0.844 0.000 0.871 155 T HN 0.330 nan 8.240 nan 0.000 0.454 156 A N 1.490 124.177 122.820 -0.223 0.000 1.902 156 A HA 0.181 4.500 4.320 -0.001 0.000 0.217 156 A C 2.646 180.127 177.584 -0.172 0.000 1.181 156 A CA 1.745 53.698 52.037 -0.139 0.000 0.623 156 A CB -1.077 17.925 19.000 0.004 0.000 0.818 156 A HN 0.496 nan 8.150 nan 0.000 0.443 157 A N -0.088 122.622 122.820 -0.184 0.000 1.902 157 A HA 0.147 4.467 4.320 -0.001 0.000 0.217 157 A C 2.508 179.746 177.584 -0.577 0.000 1.181 157 A CA 2.138 53.931 52.037 -0.407 0.000 0.623 157 A CB -1.017 17.700 19.000 -0.472 0.000 0.818 157 A HN 1.046 nan 8.150 nan 0.000 0.443 158 A N -0.319 122.289 122.820 -0.352 0.000 1.902 158 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 158 A C 2.174 179.656 177.584 -0.170 0.000 1.181 158 A CA 1.486 53.372 52.037 -0.252 0.000 0.623 158 A CB -0.594 18.395 19.000 -0.020 0.000 0.818 158 A HN 0.470 nan 8.150 nan 0.000 0.443 159 L N -0.864 120.289 121.223 -0.118 0.000 2.056 159 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 159 L C 3.088 179.881 176.870 -0.128 0.000 1.078 159 L CA 1.020 55.819 54.840 -0.069 0.000 0.749 159 L CB -0.528 41.502 42.059 -0.049 0.000 0.901 159 L HN 0.436 nan 8.230 nan 0.000 0.433 160 A N 0.019 122.725 122.820 -0.189 0.000 1.898 160 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 160 A C 2.531 180.009 177.584 -0.176 0.000 1.181 160 A CA 1.636 53.570 52.037 -0.172 0.000 0.620 160 A CB -0.687 18.205 19.000 -0.179 0.000 0.819 160 A HN 0.382 nan 8.150 nan 0.000 0.442 161 A N -0.123 122.459 122.820 -0.396 0.000 1.902 161 A HA 0.176 4.495 4.320 -0.001 0.000 0.217 161 A C 2.484 179.946 177.584 -0.203 0.000 1.181 161 A CA 2.020 53.764 52.037 -0.489 0.000 0.623 161 A CB -0.978 17.314 19.000 -1.180 0.000 0.818 161 A HN 1.054 nan 8.150 nan 0.000 0.443 162 A N 0.358 123.098 122.820 -0.133 0.000 1.972 162 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 162 A C 2.478 180.141 177.584 0.132 0.000 1.169 162 A CA 2.207 54.277 52.037 0.055 0.000 0.635 162 A CB -0.946 18.139 19.000 0.143 0.000 0.810 162 A HN 1.032 nan 8.150 nan 0.000 0.446 163 S N 0.064 115.774 115.700 0.018 0.000 2.399 163 S HA -0.129 4.340 4.470 -0.001 0.000 0.231 163 S C 1.835 176.461 174.600 0.044 0.000 1.022 163 S CA 1.438 59.652 58.200 0.023 0.000 0.983 163 S CB -0.706 62.468 63.200 -0.042 0.000 0.803 163 S HN 0.499 nan 8.310 nan 0.000 0.480 164 I N 1.134 121.709 120.570 0.008 0.000 2.233 164 I HA -0.090 4.080 4.170 -0.001 0.000 0.243 164 I C 2.490 178.587 176.117 -0.033 0.000 1.093 164 I CA 0.845 62.144 61.300 -0.001 0.000 1.380 164 I CB -0.497 37.516 38.000 0.023 0.000 1.067 164 I HN 0.193 nan 8.210 nan 0.000 0.413 165 V N 0.588 120.447 119.914 -0.092 0.000 2.324 165 V HA -0.290 3.829 4.120 -0.001 0.000 0.250 165 V C 1.853 177.712 176.094 -0.391 0.000 1.060 165 V CA 2.059 64.187 62.300 -0.288 0.000 1.042 165 V CB -0.611 30.932 31.823 -0.466 0.000 0.650 165 V HN 0.306 nan 8.190 nan 0.000 0.450 166 F N 0.213 120.174 119.950 0.017 0.000 2.727 166 F HA 0.172 4.699 4.527 -0.001 0.000 0.302 166 F C 2.130 177.949 175.800 0.033 0.000 1.097 166 F CA -0.084 57.946 58.000 0.050 0.000 1.330 166 F CB -0.487 38.596 39.000 0.138 0.000 1.084 166 F HN 0.129 nan 8.300 nan 0.000 0.578 167 R N 0.433 121.006 120.500 0.122 0.000 2.134 167 R HA -0.242 4.097 4.340 -0.001 0.000 0.248 167 R C 1.287 177.630 176.300 0.071 0.000 1.143 167 R CA 2.287 58.432 56.100 0.075 0.000 0.957 167 R CB -0.788 29.527 30.300 0.025 0.000 0.867 167 R HN 0.219 nan 8.270 nan 0.000 0.441 168 N N 0.235 118.969 118.700 0.056 0.000 2.368 168 N HA -0.050 4.689 4.740 -0.001 0.000 0.178 168 N C 1.877 177.429 175.510 0.070 0.000 1.021 168 N CA 1.037 54.116 53.050 0.048 0.000 0.875 168 N CB -0.217 38.283 38.487 0.022 0.000 1.020 168 N HN 0.122 nan 8.380 nan 0.000 0.433 169 V N 1.018 120.987 119.914 0.092 0.000 2.407 169 V HA -0.111 4.008 4.120 -0.001 0.000 0.248 169 V C -0.039 176.147 176.094 0.153 0.000 1.055 169 V CA 1.752 64.123 62.300 0.119 0.000 1.049 169 V CB -0.074 31.833 31.823 0.141 0.000 0.662 169 V HN 0.153 nan 8.190 nan 0.000 0.455 170 D N -1.551 118.978 120.400 0.215 0.000 2.472 170 D HA 0.295 4.934 4.640 -0.001 0.000 0.248 170 D C 1.018 177.417 176.300 0.165 0.000 1.271 170 D CA 0.531 54.633 54.000 0.170 0.000 0.888 170 D CB 0.787 41.681 40.800 0.157 0.000 1.337 170 D HN 0.236 nan 8.370 nan 0.000 0.526 171 G N 1.049 109.914 108.800 0.108 0.000 2.442 171 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 171 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 171 G C 1.352 176.294 174.900 0.071 0.000 1.141 171 G CA 1.446 46.595 45.100 0.082 0.000 0.763 171 G HN 0.453 nan 8.290 nan 0.000 0.554 172 T N -0.274 114.323 114.554 0.071 0.000 2.708 172 T HA -0.155 4.194 4.350 -0.001 0.000 0.266 172 T C 2.008 176.761 174.700 0.088 0.000 1.037 172 T CA 1.272 63.409 62.100 0.062 0.000 1.146 172 T CB -0.321 68.577 68.868 0.051 0.000 0.865 172 T HN 0.320 nan 8.240 nan 0.000 0.435 173 Y N 1.686 121.954 120.300 -0.052 0.000 2.200 173 Y HA -0.081 4.468 4.550 -0.001 0.000 0.290 173 Y C 2.855 178.722 175.900 -0.054 0.000 1.137 173 Y CA 1.069 59.105 58.100 -0.106 0.000 1.163 173 Y CB -0.803 37.505 38.460 -0.254 0.000 0.988 173 Y HN 0.156 nan 8.280 nan 0.000 0.518 174 S N 0.010 115.712 115.700 0.004 0.000 2.359 174 S HA -0.268 4.201 4.470 -0.001 0.000 0.224 174 S C 1.841 176.401 174.600 -0.066 0.000 1.035 174 S CA 2.060 60.247 58.200 -0.022 0.000 1.018 174 S CB -0.640 62.611 63.200 0.085 0.000 0.876 174 S HN 0.743 nan 8.310 nan 0.000 0.448 175 N N 0.900 119.584 118.700 -0.026 0.000 2.120 175 N HA -0.142 4.598 4.740 -0.001 0.000 0.188 175 N C 1.795 177.283 175.510 -0.036 0.000 1.024 175 N CA 1.337 54.374 53.050 -0.021 0.000 0.852 175 N CB -0.298 38.189 38.487 -0.000 0.000 1.003 175 N HN 0.457 nan 8.380 nan 0.000 0.424 176 N N 1.362 120.034 118.700 -0.046 0.000 2.084 176 N HA -0.069 4.671 4.740 -0.001 0.000 0.190 176 N C 1.606 177.121 175.510 0.008 0.000 1.030 176 N CA 0.912 53.959 53.050 -0.005 0.000 0.849 176 N CB -0.192 38.308 38.487 0.022 0.000 1.012 176 N HN 0.167 nan 8.380 nan 0.000 0.423 177 L N -0.313 120.793 121.223 -0.196 0.000 2.012 177 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 177 L C 2.239 179.081 176.870 -0.046 0.000 1.073 177 L CA 0.795 55.523 54.840 -0.187 0.000 0.748 177 L CB -0.539 41.314 42.059 -0.343 0.000 0.891 177 L HN 0.272 nan 8.230 nan 0.000 0.431 178 L N -0.687 120.502 121.223 -0.057 0.000 2.046 178 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 178 L C 2.483 179.349 176.870 -0.007 0.000 1.077 178 L CA 1.997 56.814 54.840 -0.038 0.000 0.747 178 L CB -0.710 41.326 42.059 -0.038 0.000 0.896 178 L HN 0.154 nan 8.230 nan 0.000 0.432 179 T N -1.313 113.235 114.554 -0.011 0.000 2.684 179 T HA -0.211 4.139 4.350 -0.001 0.000 0.267 179 T C 1.798 176.478 174.700 -0.034 0.000 1.036 179 T CA 1.704 63.781 62.100 -0.040 0.000 1.148 179 T CB -0.432 68.370 68.868 -0.110 0.000 0.863 179 T HN 0.464 nan 8.240 nan 0.000 0.436 180 H N 0.682 119.783 119.070 0.051 0.000 2.389 180 H HA 0.102 4.658 4.556 -0.001 0.000 0.299 180 H C 2.627 177.938 175.328 -0.028 0.000 1.081 180 H CA 1.352 57.453 56.048 0.088 0.000 1.345 180 H CB -0.443 29.377 29.762 0.097 0.000 1.393 180 H HN 0.396 nan 8.280 nan 0.000 0.520 181 A N 1.468 124.326 122.820 0.064 0.000 1.877 181 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 181 A C 2.527 180.129 177.584 0.030 0.000 1.186 181 A CA 1.382 53.408 52.037 -0.017 0.000 0.620 181 A CB -0.423 18.533 19.000 -0.073 0.000 0.822 181 A HN 0.316 nan 8.150 nan 0.000 0.443 182 R N -0.604 119.931 120.500 0.059 0.000 2.083 182 R HA -0.174 4.165 4.340 -0.001 0.000 0.237 182 R C 2.516 178.948 176.300 0.220 0.000 1.137 182 R CA 1.852 58.048 56.100 0.161 0.000 0.951 182 R CB -0.385 30.015 30.300 0.166 0.000 0.851 182 R HN 0.709 nan 8.270 nan 0.000 0.434 183 Q N 0.394 120.293 119.800 0.166 0.000 2.079 183 Q HA -0.110 4.230 4.340 -0.001 0.000 0.200 183 Q C 2.231 178.352 176.000 0.203 0.000 0.974 183 Q CA 1.140 57.063 55.803 0.200 0.000 0.840 183 Q CB -0.082 28.808 28.738 0.252 0.000 0.898 183 Q HN 0.344 nan 8.270 nan 0.000 0.430 184 L N -0.383 120.888 121.223 0.079 0.000 2.141 184 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 184 L C 2.242 179.189 176.870 0.128 0.000 1.094 184 L CA 0.754 55.611 54.840 0.028 0.000 0.763 184 L CB -0.286 41.627 42.059 -0.242 0.000 0.908 184 L HN 0.218 nan 8.230 nan 0.000 0.437 185 F N 1.110 121.085 119.950 0.041 0.000 2.146 185 F HA -0.215 4.312 4.527 -0.001 0.000 0.298 185 F C 2.161 178.036 175.800 0.124 0.000 1.096 185 F CA 1.576 59.617 58.000 0.068 0.000 1.275 185 F CB -0.216 38.836 39.000 0.086 0.000 1.008 185 F HN 0.086 nan 8.300 nan 0.000 0.480 186 D N -0.044 120.411 120.400 0.091 0.000 2.117 186 D HA -0.213 4.427 4.640 -0.001 0.000 0.197 186 D C 2.120 178.460 176.300 0.066 0.000 0.987 186 D CA 1.339 55.352 54.000 0.021 0.000 0.829 186 D CB -0.704 40.194 40.800 0.165 0.000 0.961 186 D HN 0.339 nan 8.370 nan 0.000 0.460 187 F N 1.819 121.786 119.950 0.027 0.000 2.102 187 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 187 F C 2.140 177.973 175.800 0.055 0.000 1.105 187 F CA 1.469 59.548 58.000 0.131 0.000 1.239 187 F CB -0.726 38.328 39.000 0.090 0.000 0.991 187 F HN -0.059 nan 8.300 nan 0.000 0.474 188 A N 0.099 122.742 122.820 -0.295 0.000 1.902 188 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 188 A C 2.092 179.434 177.584 -0.403 0.000 1.181 188 A CA 1.969 53.732 52.037 -0.456 0.000 0.623 188 A CB -1.116 17.709 19.000 -0.292 0.000 0.818 188 A HN 0.528 nan 8.150 nan 0.000 0.443 189 N N -0.046 118.366 118.700 -0.480 0.000 2.300 189 N HA -0.073 4.667 4.740 -0.001 0.000 0.179 189 N C 1.275 176.616 175.510 -0.280 0.000 1.016 189 N CA 1.301 54.100 53.050 -0.418 0.000 0.876 189 N CB -0.233 37.842 38.487 -0.687 0.000 0.979 189 N HN 0.408 nan 8.380 nan 0.000 0.432 190 N N -0.805 117.726 118.700 -0.283 0.000 2.416 190 N HA -0.052 4.687 4.740 -0.001 0.000 0.177 190 N C -0.598 174.503 175.510 -0.682 0.000 1.036 190 N CA 0.593 53.387 53.050 -0.427 0.000 0.901 190 N CB 0.161 38.376 38.487 -0.455 0.000 0.976 190 N HN 0.314 nan 8.380 nan 0.000 0.444 191 Y N 1.221 121.431 120.300 -0.150 0.000 2.646 191 Y HA 0.353 4.902 4.550 -0.001 0.000 0.334 191 Y C -0.082 175.630 175.900 -0.313 0.000 1.004 191 Y CA -0.900 57.103 58.100 -0.161 0.000 1.301 191 Y CB 0.639 39.056 38.460 -0.071 0.000 1.093 191 Y HN -0.359 nan 8.280 nan 0.000 0.530 192 R N 1.874 122.253 120.500 -0.201 0.000 2.438 192 R HA 0.718 5.058 4.340 -0.001 0.000 0.287 192 R C 0.350 176.405 176.300 -0.409 0.000 1.077 192 R CA -0.289 55.570 56.100 -0.403 0.000 1.034 192 R CB 0.725 30.896 30.300 -0.216 0.000 0.993 192 R HN 0.882 nan 8.270 nan 0.000 0.459 193 G N 1.412 109.751 108.800 -0.769 0.000 2.340 193 G HA2 0.102 4.062 3.960 -0.001 0.000 0.300 193 G HA3 0.102 4.062 3.960 -0.001 0.000 0.300 193 G C -1.537 173.207 174.900 -0.260 0.000 1.488 193 G CA -1.015 43.877 45.100 -0.346 0.000 0.878 193 G HN 0.308 nan 8.290 nan 0.000 0.618 194 K N 0.558 120.985 120.400 0.044 0.000 2.227 194 K HA 0.321 4.640 4.320 -0.001 0.000 0.280 194 K C 0.987 177.601 176.600 0.025 0.000 1.041 194 K CA -0.750 55.605 56.287 0.114 0.000 0.905 194 K CB 1.279 33.856 32.500 0.128 0.000 1.068 194 K HN 0.666 nan 8.250 nan 0.000 0.470 195 Y N 1.779 122.026 120.300 -0.089 0.000 2.256 195 Y HA -0.229 4.320 4.550 -0.001 0.000 0.288 195 Y C 1.653 177.554 175.900 0.001 0.000 1.155 195 Y CA 1.657 59.723 58.100 -0.056 0.000 1.203 195 Y CB -0.524 37.887 38.460 -0.081 0.000 0.980 195 Y HN 0.523 nan 8.280 nan 0.000 0.530 196 S N -0.931 114.215 115.700 -0.924 0.000 2.515 196 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 196 S C 1.102 175.523 174.600 -0.298 0.000 0.987 196 S CA 0.879 58.629 58.200 -0.749 0.000 0.936 196 S CB -0.285 62.567 63.200 -0.579 0.000 0.766 196 S HN 0.518 nan 8.310 nan 0.000 0.528 197 D N 1.207 121.496 120.400 -0.184 0.000 2.333 197 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 197 D C 1.557 177.809 176.300 -0.080 0.000 0.984 197 D CA 0.493 54.435 54.000 -0.098 0.000 0.873 197 D CB 0.250 41.021 40.800 -0.049 0.000 0.935 197 D HN 0.425 nan 8.370 nan 0.000 0.521 198 S N 0.006 115.657 115.700 -0.081 0.000 2.433 198 S HA 0.211 4.681 4.470 -0.001 0.000 0.216 198 S C 1.244 175.807 174.600 -0.062 0.000 1.031 198 S CA -0.143 58.033 58.200 -0.040 0.000 0.931 198 S CB 0.713 63.921 63.200 0.012 0.000 0.875 198 S HN 0.102 nan 8.310 nan 0.000 0.553 199 I N 3.993 124.529 120.570 -0.056 0.000 2.268 199 I HA 0.054 4.223 4.170 -0.001 0.000 0.298 199 I C 1.554 177.586 176.117 -0.141 0.000 1.185 199 I CA -0.109 61.154 61.300 -0.062 0.000 1.548 199 I CB 0.080 38.168 38.000 0.147 0.000 1.492 199 I HN 0.400 nan 8.210 nan 0.000 0.711 200 T N -0.861 113.593 114.554 -0.166 0.000 2.929 200 T HA -0.224 4.126 4.350 -0.001 0.000 0.271 200 T C 1.388 176.039 174.700 -0.081 0.000 1.085 200 T CA 1.359 63.380 62.100 -0.131 0.000 1.125 200 T CB -0.165 68.635 68.868 -0.113 0.000 0.874 200 T HN 0.493 nan 8.240 nan 0.000 0.494 201 D N 1.879 122.218 120.400 -0.102 0.000 2.178 201 D HA 0.046 4.685 4.640 -0.001 0.000 0.201 201 D C 2.191 178.696 176.300 0.341 0.000 0.980 201 D CA 1.071 55.124 54.000 0.088 0.000 0.842 201 D CB -0.505 40.328 40.800 0.054 0.000 0.948 201 D HN 0.542 nan 8.370 nan 0.000 0.472 202 A N -0.153 122.848 122.820 0.301 0.000 2.167 202 A HA -0.015 4.305 4.320 -0.001 0.000 0.214 202 A C 2.093 179.776 177.584 0.165 0.000 1.151 202 A CA 0.657 52.950 52.037 0.427 0.000 0.735 202 A CB -0.467 18.796 19.000 0.439 0.000 0.802 202 A HN 0.162 nan 8.150 nan 0.000 0.467 203 R N 0.297 120.798 120.500 0.002 0.000 2.193 203 R HA -0.071 4.269 4.340 -0.001 0.000 0.229 203 R C 0.640 176.861 176.300 -0.131 0.000 1.110 203 R CA 1.486 57.541 56.100 -0.076 0.000 0.988 203 R CB -0.099 30.141 30.300 -0.099 0.000 0.871 203 R HN 0.484 nan 8.270 nan 0.000 0.458 204 N N -0.866 117.683 118.700 -0.252 0.000 2.270 204 N HA 0.024 4.764 4.740 -0.001 0.000 0.198 204 N C -0.115 174.857 175.510 -0.897 0.000 1.117 204 N CA 0.478 53.196 53.050 -0.553 0.000 0.845 204 N CB 0.551 38.636 38.487 -0.669 0.000 0.980 204 N HN 0.178 nan 8.380 nan 0.000 0.486 205 F N -1.330 118.494 119.950 -0.211 0.000 2.496 205 F HA 0.269 4.795 4.527 -0.001 0.000 0.274 205 F C 0.011 175.289 175.800 -0.870 0.000 0.924 205 F CA -0.017 57.677 58.000 -0.510 0.000 1.147 205 F CB 0.395 39.074 39.000 -0.535 0.000 0.969 205 F HN -0.183 nan 8.300 nan 0.000 0.749 206 Y N 0.842 121.060 120.300 -0.138 0.000 2.501 206 Y HA 0.645 5.195 4.550 -0.001 0.000 0.331 206 Y C 0.191 176.282 175.900 0.319 0.000 0.950 206 Y CA -1.468 56.535 58.100 -0.162 0.000 1.120 206 Y CB 0.193 38.439 38.460 -0.356 0.000 1.154 206 Y HN -0.001 nan 8.280 nan 0.000 0.630 207 A N 0.646 123.668 122.820 0.336 0.000 2.498 207 A HA 0.363 4.683 4.320 -0.001 0.000 0.239 207 A C 0.631 178.507 177.584 0.485 0.000 1.068 207 A CA 0.093 52.289 52.037 0.265 0.000 0.766 207 A CB 0.389 19.451 19.000 0.103 0.000 1.003 207 A HN 0.381 nan 8.150 nan 0.000 0.497 208 S N 1.292 117.202 115.700 0.350 0.000 2.537 208 S HA 0.478 4.948 4.470 -0.001 0.000 0.275 208 S C 1.094 175.806 174.600 0.186 0.000 1.272 208 S CA -0.086 58.342 58.200 0.380 0.000 1.050 208 S CB 1.039 64.394 63.200 0.257 0.000 0.961 208 S HN 1.267 nan 8.310 nan 0.000 0.496 209 A N 3.577 126.480 122.820 0.138 0.000 1.935 209 A HA 0.261 4.580 4.320 -0.001 0.000 0.214 209 A C 0.648 178.216 177.584 -0.027 0.000 1.178 209 A CA 0.565 52.613 52.037 0.018 0.000 0.640 209 A CB -0.056 18.919 19.000 -0.042 0.000 0.825 209 A HN 0.805 nan 8.150 nan 0.000 0.447 210 D N -3.192 117.222 120.400 0.024 0.000 2.769 210 D HA 0.284 4.923 4.640 -0.001 0.000 0.219 210 D C -0.677 175.654 176.300 0.051 0.000 1.245 210 D CA -0.429 53.534 54.000 -0.062 0.000 0.801 210 D CB 0.850 41.602 40.800 -0.080 0.000 1.598 210 D HN 0.135 nan 8.370 nan 0.000 0.485 211 Y N 1.510 121.842 120.300 0.053 0.000 2.449 211 Y HA 0.408 4.958 4.550 -0.001 0.000 0.254 211 Y C 1.855 177.768 175.900 0.022 0.000 1.140 211 Y CA 0.009 58.138 58.100 0.048 0.000 1.272 211 Y CB -0.144 38.313 38.460 -0.005 0.000 1.114 211 Y HN 0.160 nan 8.280 nan 0.000 0.525 212 R N 1.543 121.898 120.500 -0.243 0.000 2.105 212 R HA -0.153 4.187 4.340 -0.001 0.000 0.239 212 R C 1.647 177.928 176.300 -0.031 0.000 1.135 212 R CA 1.816 57.707 56.100 -0.349 0.000 0.967 212 R CB -0.459 29.269 30.300 -0.953 0.000 0.861 212 R HN 0.615 nan 8.270 nan 0.000 0.442 213 D N 0.521 120.882 120.400 -0.066 0.000 2.178 213 D HA -0.169 4.470 4.640 -0.001 0.000 0.202 213 D C 1.270 177.662 176.300 0.153 0.000 0.974 213 D CA 1.019 54.963 54.000 -0.093 0.000 0.841 213 D CB -0.246 40.456 40.800 -0.163 0.000 0.953 213 D HN 0.153 nan 8.370 nan 0.000 0.478 214 E N 0.509 120.856 120.200 0.245 0.000 2.150 214 E HA 0.003 4.353 4.350 -0.001 0.000 0.193 214 E C 2.334 179.195 176.600 0.436 0.000 0.985 214 E CA 0.290 56.918 56.400 0.380 0.000 0.814 214 E CB -0.280 29.650 29.700 0.384 0.000 0.752 214 E HN 0.334 nan 8.360 nan 0.000 0.466 215 L N -0.287 121.179 121.223 0.405 0.000 2.056 215 L HA -0.159 4.181 4.340 -0.001 0.000 0.207 215 L C 2.147 179.318 176.870 0.501 0.000 1.078 215 L CA 0.765 55.899 54.840 0.490 0.000 0.749 215 L CB -0.373 41.986 42.059 0.500 0.000 0.901 215 L HN 0.094 nan 8.230 nan 0.000 0.433 216 V N -1.086 119.069 119.914 0.402 0.000 2.358 216 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 216 V C 2.084 178.352 176.094 0.290 0.000 1.047 216 V CA 1.708 64.187 62.300 0.298 0.000 1.035 216 V CB -0.720 31.253 31.823 0.250 0.000 0.658 216 V HN 0.625 nan 8.190 nan 0.000 0.452 217 W N 1.163 122.536 121.300 0.123 0.000 2.335 217 W HA -0.282 4.378 4.660 -0.001 0.000 0.311 217 W C 2.449 179.072 176.519 0.175 0.000 1.213 217 W CA 1.922 59.342 57.345 0.125 0.000 1.274 217 W CB -0.133 29.436 29.460 0.181 0.000 1.148 217 W HN 0.296 nan 8.180 nan 0.000 0.498 218 A N 0.877 123.875 122.820 0.296 0.000 1.877 218 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 218 A C 2.099 179.547 177.584 -0.228 0.000 1.186 218 A CA 2.572 54.655 52.037 0.077 0.000 0.620 218 A CB -1.392 17.799 19.000 0.317 0.000 0.822 218 A HN 0.364 nan 8.150 nan 0.000 0.443 219 A N -0.132 122.524 122.820 -0.273 0.000 1.902 219 A HA 0.151 4.471 4.320 -0.001 0.000 0.217 219 A C 2.509 179.938 177.584 -0.258 0.000 1.181 219 A CA 2.139 53.891 52.037 -0.475 0.000 0.623 219 A CB -1.030 17.854 19.000 -0.194 0.000 0.818 219 A HN 1.062 nan 8.150 nan 0.000 0.443 220 A N -1.461 121.248 122.820 -0.186 0.000 1.902 220 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 220 A C 2.006 179.368 177.584 -0.369 0.000 1.181 220 A CA 1.398 53.282 52.037 -0.255 0.000 0.623 220 A CB -0.918 17.886 19.000 -0.328 0.000 0.818 220 A HN 0.749 nan 8.150 nan 0.000 0.443 221 W N -0.239 120.795 121.300 -0.443 0.000 2.388 221 W HA -0.023 4.636 4.660 -0.001 0.000 0.294 221 W C 2.069 178.326 176.519 -0.436 0.000 1.212 221 W CA 0.907 57.951 57.345 -0.502 0.000 1.271 221 W CB -0.239 28.834 29.460 -0.645 0.000 1.126 221 W HN 0.228 nan 8.180 nan 0.000 0.535 222 L N -1.101 119.933 121.223 -0.314 0.000 2.093 222 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 222 L C 2.350 178.963 176.870 -0.429 0.000 1.085 222 L CA 1.175 55.659 54.840 -0.593 0.000 0.755 222 L CB -0.870 40.396 42.059 -1.321 0.000 0.904 222 L HN 0.072 nan 8.230 nan 0.000 0.435 223 Y N 0.770 120.867 120.300 -0.337 0.000 2.181 223 Y HA -0.272 4.277 4.550 -0.001 0.000 0.288 223 Y C 2.782 178.599 175.900 -0.139 0.000 1.146 223 Y CA 1.612 59.638 58.100 -0.123 0.000 1.164 223 Y CB -0.324 38.077 38.460 -0.100 0.000 0.982 223 Y HN -0.004 nan 8.280 nan 0.000 0.515 224 R N 0.109 120.397 120.500 -0.354 0.000 2.096 224 R HA -0.138 4.202 4.340 -0.001 0.000 0.235 224 R C 2.184 178.320 176.300 -0.274 0.000 1.127 224 R CA 1.353 57.212 56.100 -0.402 0.000 0.968 224 R CB -0.487 29.601 30.300 -0.352 0.000 0.861 224 R HN 0.436 nan 8.270 nan 0.000 0.440 225 A N -0.650 122.060 122.820 -0.182 0.000 2.072 225 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 225 A C 1.840 179.349 177.584 -0.125 0.000 1.156 225 A CA 1.429 53.393 52.037 -0.122 0.000 0.701 225 A CB -0.089 18.854 19.000 -0.095 0.000 0.816 225 A HN 0.592 nan 8.150 nan 0.000 0.458 226 T N -5.560 108.907 114.554 -0.145 0.000 2.964 226 T HA 0.133 4.483 4.350 -0.001 0.000 0.249 226 T C 0.682 175.336 174.700 -0.077 0.000 1.000 226 T CA 0.742 62.805 62.100 -0.061 0.000 0.992 226 T CB -0.441 68.460 68.868 0.055 0.000 1.087 226 T HN 0.555 nan 8.240 nan 0.000 0.489 227 N N 0.940 119.507 118.700 -0.222 0.000 2.782 227 N HA -0.176 4.563 4.740 -0.001 0.000 0.251 227 N C -1.120 174.412 175.510 0.037 0.000 1.101 227 N CA 0.586 53.473 53.050 -0.273 0.000 0.764 227 N CB -0.902 37.485 38.487 -0.166 0.000 1.122 227 N HN 0.517 nan 8.380 nan 0.000 0.561 228 D N 0.587 121.098 120.400 0.185 0.000 2.347 228 D HA 0.181 4.821 4.640 -0.001 0.000 0.235 228 D C 0.939 177.437 176.300 0.331 0.000 1.149 228 D CA -0.146 53.994 54.000 0.232 0.000 0.850 228 D CB 0.221 41.156 40.800 0.225 0.000 1.061 228 D HN 0.298 nan 8.370 nan 0.000 0.487 229 N N 1.692 120.518 118.700 0.210 0.000 2.258 229 N HA -0.222 4.518 4.740 -0.001 0.000 0.187 229 N C 1.617 177.093 175.510 -0.057 0.000 1.012 229 N CA 1.059 54.144 53.050 0.059 0.000 0.870 229 N CB 0.183 38.677 38.487 0.012 0.000 0.977 229 N HN 0.389 nan 8.380 nan 0.000 0.434 230 T N -0.244 114.265 114.554 -0.076 0.000 2.759 230 T HA -0.174 4.176 4.350 -0.001 0.000 0.269 230 T C 1.423 176.006 174.700 -0.195 0.000 1.042 230 T CA 1.309 63.303 62.100 -0.176 0.000 1.140 230 T CB -0.233 68.467 68.868 -0.279 0.000 0.864 230 T HN 0.263 nan 8.240 nan 0.000 0.455 231 Y N 0.335 120.614 120.300 -0.036 0.000 2.263 231 Y HA 0.145 4.694 4.550 -0.001 0.000 0.292 231 Y C 2.047 177.839 175.900 -0.180 0.000 1.130 231 Y CA 0.506 58.548 58.100 -0.096 0.000 1.179 231 Y CB -0.621 37.803 38.460 -0.059 0.000 0.998 231 Y HN 0.214 nan 8.280 nan 0.000 0.532 232 L N 0.476 121.578 121.223 -0.203 0.000 2.056 232 L HA -0.180 4.159 4.340 -0.001 0.000 0.207 232 L C 1.637 178.347 176.870 -0.267 0.000 1.078 232 L CA 1.861 56.396 54.840 -0.509 0.000 0.749 232 L CB -0.929 40.428 42.059 -1.170 0.000 0.901 232 L HN 0.183 nan 8.230 nan 0.000 0.433 233 N N -1.624 116.957 118.700 -0.198 0.000 2.104 233 N HA -0.192 4.547 4.740 -0.001 0.000 0.190 233 N C 1.504 176.971 175.510 -0.072 0.000 1.024 233 N CA 1.724 54.701 53.050 -0.122 0.000 0.853 233 N CB -0.203 38.224 38.487 -0.100 0.000 1.008 233 N HN 0.372 nan 8.380 nan 0.000 0.424 234 T N 0.726 115.255 114.554 -0.042 0.000 2.708 234 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 234 T C 2.095 176.813 174.700 0.030 0.000 1.037 234 T CA 1.161 63.276 62.100 0.024 0.000 1.146 234 T CB -0.333 68.604 68.868 0.116 0.000 0.865 234 T HN 0.326 nan 8.240 nan 0.000 0.435 235 A N 1.780 124.602 122.820 0.003 0.000 1.865 235 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 235 A C 2.207 179.804 177.584 0.021 0.000 1.191 235 A CA 1.762 53.804 52.037 0.009 0.000 0.623 235 A CB -0.581 18.378 19.000 -0.068 0.000 0.826 235 A HN 0.573 nan 8.150 nan 0.000 0.444 236 E N -0.721 119.464 120.200 -0.026 0.000 2.150 236 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 236 E C 2.260 178.883 176.600 0.038 0.000 0.985 236 E CA 0.982 57.394 56.400 0.020 0.000 0.814 236 E CB -0.171 29.517 29.700 -0.020 0.000 0.752 236 E HN 0.590 nan 8.360 nan 0.000 0.466 237 S N 0.813 116.501 115.700 -0.019 0.000 2.355 237 S HA -0.092 4.378 4.470 -0.001 0.000 0.222 237 S C 2.023 176.543 174.600 -0.133 0.000 1.031 237 S CA 0.750 58.917 58.200 -0.054 0.000 0.993 237 S CB -0.099 63.065 63.200 -0.060 0.000 0.859 237 S HN 0.157 nan 8.310 nan 0.000 0.453 238 L N -0.245 120.867 121.223 -0.184 0.000 2.093 238 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 238 L C 2.385 179.008 176.870 -0.410 0.000 1.085 238 L CA 1.577 56.103 54.840 -0.524 0.000 0.755 238 L CB -0.734 41.110 42.059 -0.358 0.000 0.904 238 L HN 0.414 nan 8.230 nan 0.000 0.435 239 Y N 1.402 121.593 120.300 -0.182 0.000 2.128 239 Y HA -0.324 4.225 4.550 -0.001 0.000 0.284 239 Y C 2.335 178.195 175.900 -0.067 0.000 1.154 239 Y CA 1.955 60.010 58.100 -0.075 0.000 1.149 239 Y CB -0.141 38.331 38.460 0.021 0.000 0.976 239 Y HN 0.240 nan 8.280 nan 0.000 0.505 240 D N -0.189 120.300 120.400 0.148 0.000 2.103 240 D HA -0.177 4.462 4.640 -0.001 0.000 0.199 240 D C 2.074 178.364 176.300 -0.016 0.000 0.978 240 D CA 1.443 55.493 54.000 0.083 0.000 0.829 240 D CB -0.435 40.407 40.800 0.068 0.000 0.981 240 D HN 0.563 nan 8.370 nan 0.000 0.464 241 E N 0.087 120.214 120.200 -0.121 0.000 2.058 241 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 241 E C 1.860 178.496 176.600 0.060 0.000 0.997 241 E CA 0.860 57.190 56.400 -0.118 0.000 0.801 241 E CB -0.158 29.354 29.700 -0.313 0.000 0.746 241 E HN 0.328 nan 8.360 nan 0.000 0.450 242 F N -0.275 119.680 119.950 0.008 0.000 2.661 242 F HA 0.138 4.665 4.527 -0.001 0.000 0.298 242 F C 1.475 177.314 175.800 0.066 0.000 1.137 242 F CA -0.024 57.997 58.000 0.034 0.000 1.454 242 F CB 0.292 39.255 39.000 -0.060 0.000 1.103 242 F HN 0.208 nan 8.300 nan 0.000 0.577 243 G N 1.472 110.330 108.800 0.097 0.000 2.295 243 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.287 243 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.287 243 G C 0.634 175.482 174.900 -0.088 0.000 1.055 243 G CA -0.009 45.119 45.100 0.047 0.000 0.922 243 G HN 0.290 nan 8.290 nan 0.000 0.503 244 L N 0.399 121.221 121.223 -0.668 0.000 2.187 244 L HA -0.136 4.203 4.340 -0.001 0.000 0.213 244 L C 3.104 179.680 176.870 -0.489 0.000 1.100 244 L CA 2.549 56.738 54.840 -1.085 0.000 0.765 244 L CB -0.269 40.925 42.059 -1.442 0.000 0.904 244 L HN 0.690 nan 8.230 nan 0.000 0.437 245 Q N -0.645 118.963 119.800 -0.319 0.000 2.368 245 Q HA -0.210 4.129 4.340 -0.001 0.000 0.210 245 Q C 1.126 177.183 176.000 0.096 0.000 0.982 245 Q CA 1.892 57.730 55.803 0.059 0.000 0.884 245 Q CB -1.027 27.821 28.738 0.182 0.000 0.933 245 Q HN 0.657 nan 8.270 nan 0.000 0.460 246 N N -0.980 117.801 118.700 0.134 0.000 2.236 246 N HA 0.058 4.797 4.740 -0.001 0.000 0.196 246 N C -0.667 174.977 175.510 0.223 0.000 1.114 246 N CA -0.500 52.645 53.050 0.159 0.000 0.859 246 N CB 0.209 38.775 38.487 0.132 0.000 0.982 246 N HN 0.100 nan 8.380 nan 0.000 0.493 247 W N 1.877 123.131 121.300 -0.078 0.000 2.150 247 W HA 0.305 4.964 4.660 -0.001 0.000 0.341 247 W C 1.124 177.592 176.519 -0.084 0.000 1.276 247 W CA -0.736 56.556 57.345 -0.088 0.000 1.238 247 W CB 0.009 29.405 29.460 -0.108 0.000 1.128 247 W HN -0.123 nan 8.180 nan 0.000 0.581 248 G N 1.490 110.351 108.800 0.102 0.000 2.365 248 G HA2 0.410 4.370 3.960 -0.001 0.000 0.249 248 G HA3 0.410 4.370 3.960 -0.001 0.000 0.249 248 G C 0.391 175.300 174.900 0.014 0.000 1.288 248 G CA -0.294 44.822 45.100 0.026 0.000 0.887 248 G HN 0.680 nan 8.290 nan 0.000 0.524 249 G N 0.077 108.852 108.800 -0.042 0.000 2.699 249 G HA2 0.630 4.589 3.960 -0.001 0.000 0.246 249 G HA3 0.630 4.589 3.960 -0.001 0.000 0.246 249 G C 0.532 175.227 174.900 -0.342 0.000 1.219 249 G CA 0.454 45.343 45.100 -0.351 0.000 0.866 249 G HN 1.830 nan 8.290 nan 0.000 0.572 250 G N -1.787 106.644 108.800 -0.615 0.000 2.335 250 G HA2 0.471 4.431 3.960 -0.001 0.000 0.592 250 G HA3 0.471 4.431 3.960 -0.001 0.000 0.592 250 G C -1.790 173.058 174.900 -0.087 0.000 1.442 250 G CA -0.271 44.730 45.100 -0.166 0.000 0.976 250 G HN 1.628 nan 8.290 nan 0.000 0.652 251 L N 1.468 122.729 121.223 0.062 0.000 2.476 251 L HA 0.890 5.230 4.340 -0.001 0.000 0.269 251 L C -0.648 176.283 176.870 0.101 0.000 0.965 251 L CA -0.431 54.465 54.840 0.093 0.000 0.845 251 L CB 1.882 44.097 42.059 0.259 0.000 1.259 251 L HN 1.447 nan 8.230 nan 0.000 0.403 252 N N 2.251 120.887 118.700 -0.106 0.000 3.261 252 N HA 0.265 5.004 4.740 -0.001 0.000 0.248 252 N C 0.260 175.186 175.510 -0.973 0.000 1.498 252 N CA -0.463 52.360 53.050 -0.378 0.000 0.884 252 N CB -0.133 38.202 38.487 -0.253 0.000 1.428 252 N HN 0.618 nan 8.380 nan 0.000 0.517 253 W N -0.837 119.728 121.300 -1.226 0.000 2.341 253 W HA -0.121 4.538 4.660 -0.001 0.000 0.283 253 W C 0.074 176.164 176.519 -0.716 0.000 1.215 253 W CA 1.988 58.608 57.345 -1.207 0.000 1.211 253 W CB -0.571 28.486 29.460 -0.672 0.000 1.131 253 W HN 0.619 nan 8.180 nan 0.000 0.552 254 D N 0.758 120.434 120.400 -1.205 0.000 2.259 254 D HA -0.010 4.630 4.640 -0.001 0.000 0.216 254 D C 0.457 176.570 176.300 -0.312 0.000 0.961 254 D CA 0.915 54.421 54.000 -0.822 0.000 0.878 254 D CB 0.227 40.250 40.800 -1.294 0.000 1.009 254 D HN -0.021 nan 8.370 nan 0.000 0.490 255 S N -0.442 115.049 115.700 -0.347 0.000 2.478 255 S HA 0.369 4.838 4.470 -0.001 0.000 0.312 255 S C 0.262 174.736 174.600 -0.210 0.000 1.094 255 S CA -0.659 57.442 58.200 -0.165 0.000 1.081 255 S CB 0.892 64.027 63.200 -0.108 0.000 1.007 255 S HN -0.074 nan 8.310 nan 0.000 0.475 256 K N 3.744 124.007 120.400 -0.227 0.000 2.358 256 K HA 0.167 4.486 4.320 -0.001 0.000 0.200 256 K C 1.757 178.180 176.600 -0.296 0.000 1.030 256 K CA 0.188 56.205 56.287 -0.450 0.000 1.097 256 K CB -0.385 31.644 32.500 -0.785 0.000 0.862 256 K HN 0.467 nan 8.250 nan 0.000 0.534 257 V N 1.640 121.459 119.914 -0.158 0.000 2.226 257 V HA -0.358 3.761 4.120 -0.001 0.000 0.254 257 V C 2.068 178.116 176.094 -0.077 0.000 1.065 257 V CA 2.478 64.709 62.300 -0.114 0.000 1.039 257 V CB -0.773 31.022 31.823 -0.046 0.000 0.653 257 V HN 0.295 nan 8.190 nan 0.000 0.450 258 S N 0.049 115.674 115.700 -0.125 0.000 2.419 258 S HA -0.082 4.387 4.470 -0.001 0.000 0.233 258 S C 1.952 176.621 174.600 0.116 0.000 1.016 258 S CA 1.144 59.295 58.200 -0.083 0.000 0.974 258 S CB -0.536 62.505 63.200 -0.266 0.000 0.786 258 S HN 0.752 nan 8.310 nan 0.000 0.492 259 G N 1.313 110.177 108.800 0.106 0.000 2.404 259 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.215 259 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.215 259 G C 1.446 176.555 174.900 0.347 0.000 1.174 259 G CA 0.798 46.083 45.100 0.308 0.000 0.780 259 G HN 0.409 nan 8.290 nan 0.000 0.537 260 V N 0.690 120.723 119.914 0.199 0.000 2.287 260 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 260 V C 2.935 179.076 176.094 0.078 0.000 1.053 260 V CA 2.411 64.859 62.300 0.247 0.000 1.027 260 V CB -0.667 31.277 31.823 0.201 0.000 0.646 260 V HN 0.430 nan 8.190 nan 0.000 0.447 261 Q N -0.949 118.922 119.800 0.119 0.000 2.046 261 Q HA -0.159 4.181 4.340 -0.001 0.000 0.200 261 Q C 2.372 178.396 176.000 0.040 0.000 0.975 261 Q CA 1.767 57.621 55.803 0.085 0.000 0.836 261 Q CB -0.400 28.464 28.738 0.210 0.000 0.896 261 Q HN 0.516 nan 8.270 nan 0.000 0.428 262 V N 0.784 120.786 119.914 0.147 0.000 2.548 262 V HA -0.168 3.952 4.120 -0.001 0.000 0.249 262 V C 1.893 178.058 176.094 0.119 0.000 1.055 262 V CA 1.065 63.473 62.300 0.179 0.000 1.065 262 V CB -0.171 31.825 31.823 0.287 0.000 0.681 262 V HN 0.390 nan 8.190 nan 0.000 0.462 263 L N -0.995 120.266 121.223 0.064 0.000 2.044 263 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 263 L C 2.311 179.020 176.870 -0.268 0.000 1.075 263 L CA 1.784 56.535 54.840 -0.148 0.000 0.747 263 L CB -0.132 41.689 42.059 -0.397 0.000 0.903 263 L HN 0.297 nan 8.230 nan 0.000 0.435 264 L N -0.473 120.518 121.223 -0.386 0.000 2.141 264 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 264 L C 2.782 179.361 176.870 -0.486 0.000 1.094 264 L CA 0.910 55.373 54.840 -0.629 0.000 0.763 264 L CB -0.630 40.658 42.059 -1.285 0.000 0.908 264 L HN 0.301 nan 8.230 nan 0.000 0.437 265 A N 0.186 122.838 122.820 -0.280 0.000 1.902 265 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 265 A C 2.398 179.982 177.584 -0.001 0.000 1.181 265 A CA 1.998 54.037 52.037 0.004 0.000 0.623 265 A CB -0.368 18.688 19.000 0.094 0.000 0.818 265 A HN 0.340 nan 8.150 nan 0.000 0.443 266 K N -0.396 119.983 120.400 -0.036 0.000 2.062 266 K HA 0.037 4.357 4.320 -0.001 0.000 0.205 266 K C 1.796 178.371 176.600 -0.042 0.000 1.051 266 K CA 1.066 57.338 56.287 -0.025 0.000 0.941 266 K CB -0.249 32.238 32.500 -0.022 0.000 0.719 266 K HN 0.462 nan 8.250 nan 0.000 0.440 267 L N 0.461 121.636 121.223 -0.079 0.000 2.156 267 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 267 L C 2.350 179.239 176.870 0.032 0.000 1.095 267 L CA 1.560 56.390 54.840 -0.018 0.000 0.770 267 L CB -0.304 41.752 42.059 -0.006 0.000 0.914 267 L HN 0.425 nan 8.230 nan 0.000 0.439 268 T N -5.714 108.836 114.554 -0.007 0.000 2.990 268 T HA 0.032 4.382 4.350 -0.001 0.000 0.249 268 T C 1.116 175.844 174.700 0.047 0.000 1.039 268 T CA 0.299 62.415 62.100 0.026 0.000 1.036 268 T CB -0.059 68.845 68.868 0.060 0.000 0.994 268 T HN 0.389 nan 8.240 nan 0.000 0.489 269 N N 0.618 119.348 118.700 0.051 0.000 2.828 269 N HA -0.170 4.570 4.740 -0.001 0.000 0.248 269 N C -0.898 174.647 175.510 0.060 0.000 1.044 269 N CA 0.343 53.422 53.050 0.048 0.000 0.851 269 N CB -0.870 37.634 38.487 0.028 0.000 1.136 269 N HN 0.557 nan 8.380 nan 0.000 0.572 270 K N 0.922 121.384 120.400 0.102 0.000 2.368 270 K HA -0.023 4.296 4.320 -0.001 0.000 0.282 270 K C 1.114 177.728 176.600 0.025 0.000 1.035 270 K CA -0.184 56.130 56.287 0.045 0.000 0.973 270 K CB 1.107 33.605 32.500 -0.004 0.000 0.957 270 K HN 0.138 nan 8.250 nan 0.000 0.474 271 Q N 3.200 122.986 119.800 -0.022 0.000 2.124 271 Q HA -0.184 4.156 4.340 -0.001 0.000 0.202 271 Q C 1.773 177.748 176.000 -0.042 0.000 0.977 271 Q CA 2.222 58.016 55.803 -0.014 0.000 0.850 271 Q CB -0.204 28.522 28.738 -0.019 0.000 0.901 271 Q HN 0.790 nan 8.270 nan 0.000 0.429 272 A N -0.490 122.242 122.820 -0.148 0.000 1.892 272 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 272 A C 1.857 179.350 177.584 -0.152 0.000 1.188 272 A CA 1.842 53.758 52.037 -0.203 0.000 0.631 272 A CB -1.131 17.650 19.000 -0.366 0.000 0.822 272 A HN 0.561 nan 8.150 nan 0.000 0.447 273 Y N 0.189 120.468 120.300 -0.035 0.000 2.200 273 Y HA -0.137 4.412 4.550 -0.001 0.000 0.290 273 Y C 2.363 178.285 175.900 0.036 0.000 1.137 273 Y CA 1.534 59.617 58.100 -0.027 0.000 1.163 273 Y CB -0.420 37.984 38.460 -0.093 0.000 0.988 273 Y HN 0.288 nan 8.280 nan 0.000 0.518 274 K N -0.066 120.443 120.400 0.181 0.000 2.097 274 K HA -0.166 4.154 4.320 -0.001 0.000 0.206 274 K C 1.515 178.195 176.600 0.133 0.000 1.049 274 K CA 1.541 57.915 56.287 0.146 0.000 0.933 274 K CB -0.205 32.356 32.500 0.103 0.000 0.717 274 K HN 0.295 nan 8.250 nan 0.000 0.442 275 D N 0.358 120.817 120.400 0.099 0.000 2.097 275 D HA -0.115 4.524 4.640 -0.001 0.000 0.195 275 D C 1.888 178.264 176.300 0.127 0.000 0.989 275 D CA 1.382 55.438 54.000 0.093 0.000 0.827 275 D CB -0.394 40.439 40.800 0.055 0.000 0.966 275 D HN 0.140 nan 8.370 nan 0.000 0.456 276 T N 0.854 115.494 114.554 0.144 0.000 2.746 276 T HA -0.086 4.264 4.350 -0.001 0.000 0.267 276 T C 2.279 177.105 174.700 0.210 0.000 1.039 276 T CA 0.665 62.870 62.100 0.174 0.000 1.142 276 T CB -0.265 68.728 68.868 0.208 0.000 0.866 276 T HN -0.024 nan 8.240 nan 0.000 0.444 277 V N 1.435 121.481 119.914 0.221 0.000 2.358 277 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 277 V C 2.629 178.886 176.094 0.271 0.000 1.047 277 V CA 1.608 64.062 62.300 0.257 0.000 1.035 277 V CB -0.677 31.288 31.823 0.236 0.000 0.658 277 V HN 0.496 nan 8.190 nan 0.000 0.452 278 Q N 0.479 120.422 119.800 0.238 0.000 2.061 278 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 278 Q C 2.538 178.656 176.000 0.197 0.000 0.984 278 Q CA 2.257 58.209 55.803 0.248 0.000 0.846 278 Q CB -0.362 28.492 28.738 0.193 0.000 0.902 278 Q HN 0.816 nan 8.270 nan 0.000 0.421 279 S N -0.080 115.726 115.700 0.177 0.000 2.370 279 S HA -0.245 4.224 4.470 -0.001 0.000 0.226 279 S C 1.896 176.609 174.600 0.188 0.000 1.033 279 S CA 1.286 59.580 58.200 0.156 0.000 1.011 279 S CB -0.740 62.540 63.200 0.134 0.000 0.852 279 S HN 0.505 nan 8.310 nan 0.000 0.457 280 Y N 2.724 123.084 120.300 0.099 0.000 2.114 280 Y HA -0.056 4.494 4.550 -0.001 0.000 0.284 280 Y C 2.340 178.294 175.900 0.090 0.000 1.143 280 Y CA 1.422 59.589 58.100 0.111 0.000 1.135 280 Y CB -0.783 37.734 38.460 0.095 0.000 0.980 280 Y HN 0.128 nan 8.280 nan 0.000 0.499 281 V N 1.242 121.045 119.914 -0.185 0.000 2.295 281 V HA -0.348 3.771 4.120 -0.001 0.000 0.246 281 V C 2.000 177.852 176.094 -0.403 0.000 1.049 281 V CA 2.360 64.380 62.300 -0.467 0.000 1.024 281 V CB -0.932 30.525 31.823 -0.611 0.000 0.648 281 V HN 0.488 nan 8.190 nan 0.000 0.447 282 N N -0.873 117.738 118.700 -0.149 0.000 2.149 282 N HA -0.256 4.483 4.740 -0.001 0.000 0.188 282 N C 1.941 177.373 175.510 -0.130 0.000 1.019 282 N CA 1.659 54.661 53.050 -0.080 0.000 0.857 282 N CB -0.288 38.232 38.487 0.055 0.000 0.997 282 N HN 0.645 nan 8.380 nan 0.000 0.426 283 Y N 1.958 122.150 120.300 -0.180 0.000 2.145 283 Y HA -0.130 4.419 4.550 -0.001 0.000 0.286 283 Y C 1.918 177.676 175.900 -0.236 0.000 1.145 283 Y CA 1.259 59.263 58.100 -0.160 0.000 1.148 283 Y CB -0.435 37.962 38.460 -0.105 0.000 0.981 283 Y HN -0.006 nan 8.280 nan 0.000 0.507 284 L N -0.263 120.600 121.223 -0.601 0.000 1.994 284 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 284 L C 2.527 179.004 176.870 -0.655 0.000 1.071 284 L CA 1.772 56.213 54.840 -0.665 0.000 0.745 284 L CB -0.652 41.067 42.059 -0.567 0.000 0.892 284 L HN 0.263 nan 8.230 nan 0.000 0.431 285 I N -0.097 120.004 120.570 -0.782 0.000 2.226 285 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 285 I C 1.805 177.605 176.117 -0.529 0.000 1.100 285 I CA 1.786 62.453 61.300 -1.055 0.000 1.374 285 I CB -0.364 37.064 38.000 -0.953 0.000 1.057 285 I HN 0.393 nan 8.210 nan 0.000 0.413 286 N N -0.106 118.372 118.700 -0.370 0.000 2.409 286 N HA 0.007 4.747 4.740 -0.001 0.000 0.174 286 N C 1.115 176.501 175.510 -0.207 0.000 1.037 286 N CA 0.713 53.636 53.050 -0.213 0.000 0.898 286 N CB 0.215 38.626 38.487 -0.127 0.000 1.010 286 N HN 0.374 nan 8.380 nan 0.000 0.445 287 N N -0.315 118.172 118.700 -0.355 0.000 2.486 287 N HA -0.029 4.711 4.740 -0.001 0.000 0.242 287 N C -0.155 175.109 175.510 -0.410 0.000 1.083 287 N CA -0.265 52.589 53.050 -0.327 0.000 0.844 287 N CB 0.257 38.628 38.487 -0.194 0.000 1.527 287 N HN -0.040 nan 8.380 nan 0.000 0.462 288 Q N 2.558 121.893 119.800 -0.776 0.000 2.348 288 Q HA -0.125 4.214 4.340 -0.001 0.000 0.331 288 Q C -0.076 175.827 176.000 -0.161 0.000 1.099 288 Q CA 0.452 55.977 55.803 -0.463 0.000 1.021 288 Q CB 0.362 28.834 28.738 -0.443 0.000 1.166 288 Q HN 0.233 nan 8.270 nan 0.000 0.393 289 Q N 2.913 122.692 119.800 -0.035 0.000 2.304 289 Q HA -0.012 4.328 4.340 -0.001 0.000 0.301 289 Q C -0.945 175.079 176.000 0.041 0.000 1.063 289 Q CA 0.783 56.599 55.803 0.021 0.000 0.947 289 Q CB 0.465 29.253 28.738 0.083 0.000 1.201 289 Q HN 0.581 nan 8.270 nan 0.000 0.389 290 K N 2.019 122.432 120.400 0.022 0.000 2.435 290 K HA 0.353 4.672 4.320 -0.001 0.000 0.251 290 K C -0.601 175.994 176.600 -0.009 0.000 0.954 290 K CA -0.731 55.571 56.287 0.024 0.000 0.820 290 K CB 1.823 34.341 32.500 0.029 0.000 1.292 290 K HN 0.783 nan 8.250 nan 0.000 0.436 291 T N -1.736 112.799 114.554 -0.032 0.000 2.828 291 T HA 0.144 4.493 4.350 -0.001 0.000 0.290 291 T C -1.897 172.796 174.700 -0.011 0.000 1.019 291 T CA -1.368 60.700 62.100 -0.054 0.000 1.031 291 T CB 0.692 69.523 68.868 -0.061 0.000 1.001 291 T HN 0.199 nan 8.240 nan 0.000 0.531 292 P HA -0.042 nan 4.420 nan 0.000 0.218 292 P C 0.941 178.276 177.300 0.058 0.000 1.146 292 P CA 1.169 64.284 63.100 0.024 0.000 0.813 292 P CB 0.041 31.753 31.700 0.021 0.000 0.778 293 K N -1.861 118.601 120.400 0.104 0.000 2.458 293 K HA 0.254 4.573 4.320 -0.001 0.000 0.194 293 K C 1.107 177.808 176.600 0.168 0.000 1.024 293 K CA 0.635 57.026 56.287 0.172 0.000 1.108 293 K CB -0.176 32.507 32.500 0.305 0.000 0.846 293 K HN 0.140 nan 8.250 nan 0.000 0.518 294 G N 1.502 110.341 108.800 0.065 0.000 2.179 294 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.220 294 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.220 294 G C -0.209 174.629 174.900 -0.103 0.000 0.990 294 G CA -0.346 44.762 45.100 0.013 0.000 0.646 294 G HN 0.221 nan 8.290 nan 0.000 0.517 295 L N 2.081 123.139 121.223 -0.276 0.000 2.367 295 L HA 0.651 4.991 4.340 -0.001 0.000 0.275 295 L C 0.797 177.558 176.870 -0.183 0.000 1.129 295 L CA -0.525 54.033 54.840 -0.470 0.000 0.839 295 L CB 0.583 41.989 42.059 -1.087 0.000 1.133 295 L HN 0.180 nan 8.230 nan 0.000 0.453 296 L N 5.939 127.105 121.223 -0.095 0.000 2.499 296 L HA 0.005 4.345 4.340 -0.001 0.000 0.273 296 L C -0.802 176.070 176.870 0.005 0.000 1.195 296 L CA 0.421 55.264 54.840 0.006 0.000 0.882 296 L CB -0.063 42.024 42.059 0.047 0.000 1.133 296 L HN 0.624 nan 8.230 nan 0.000 0.483 297 Y N 4.706 124.960 120.300 -0.077 0.000 2.721 297 Y HA 0.349 4.898 4.550 -0.001 0.000 0.328 297 Y C 0.726 176.595 175.900 -0.051 0.000 1.003 297 Y CA -0.318 57.740 58.100 -0.070 0.000 1.275 297 Y CB 0.569 38.987 38.460 -0.070 0.000 1.097 297 Y HN 0.542 nan 8.280 nan 0.000 0.514 298 I N 2.272 122.645 120.570 -0.328 0.000 2.703 298 I HA 0.077 4.246 4.170 -0.001 0.000 0.259 298 I C 0.020 175.879 176.117 -0.430 0.000 1.151 298 I CA 0.913 62.034 61.300 -0.299 0.000 1.470 298 I CB 0.356 38.187 38.000 -0.281 0.000 1.112 298 I HN 0.503 nan 8.210 nan 0.000 0.437 299 D N -1.339 118.689 120.400 -0.620 0.000 2.728 299 D HA 0.151 4.790 4.640 -0.001 0.000 0.249 299 D C 0.529 176.539 176.300 -0.483 0.000 1.225 299 D CA -0.519 53.227 54.000 -0.424 0.000 0.748 299 D CB 0.746 41.423 40.800 -0.205 0.000 1.326 299 D HN 0.049 nan 8.370 nan 0.000 0.426 300 M N -0.805 118.646 119.600 -0.248 0.000 2.319 300 M HA 0.260 4.740 4.480 -0.001 0.000 0.265 300 M C -0.057 176.086 176.300 -0.262 0.000 1.068 300 M CA 0.634 55.797 55.300 -0.228 0.000 1.118 300 M CB -0.004 32.434 32.600 -0.271 0.000 1.395 300 M HN 0.166 nan 8.290 nan 0.000 0.435 301 W N 1.971 123.290 121.300 0.031 0.000 2.322 301 W HA 0.532 5.191 4.660 -0.001 0.000 0.307 301 W C 1.082 177.636 176.519 0.059 0.000 1.220 301 W CA 0.181 57.580 57.345 0.090 0.000 1.210 301 W CB 0.742 30.297 29.460 0.158 0.000 1.223 301 W HN 0.466 nan 8.180 nan 0.000 0.511 302 G N 2.167 111.079 108.800 0.185 0.000 2.371 302 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.299 302 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.299 302 G C 0.782 175.513 174.900 -0.283 0.000 1.014 302 G CA 0.586 45.465 45.100 -0.369 0.000 1.097 302 G HN 0.592 nan 8.290 nan 0.000 0.512 303 T N 0.275 114.744 114.554 -0.140 0.000 2.665 303 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 303 T C 2.606 177.207 174.700 -0.165 0.000 1.035 303 T CA 1.543 63.562 62.100 -0.136 0.000 1.151 303 T CB -0.110 68.670 68.868 -0.147 0.000 0.862 303 T HN 0.399 nan 8.240 nan 0.000 0.438 304 L N 0.696 121.776 121.223 -0.238 0.000 2.093 304 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 304 L C 2.968 179.717 176.870 -0.203 0.000 1.085 304 L CA 0.953 55.661 54.840 -0.220 0.000 0.755 304 L CB -0.521 41.385 42.059 -0.255 0.000 0.904 304 L HN 0.134 nan 8.230 nan 0.000 0.435 305 R N -0.022 120.267 120.500 -0.352 0.000 2.091 305 R HA -0.206 4.133 4.340 -0.001 0.000 0.238 305 R C 2.118 178.331 176.300 -0.146 0.000 1.136 305 R CA 1.802 57.719 56.100 -0.305 0.000 0.959 305 R CB -0.596 29.328 30.300 -0.626 0.000 0.856 305 R HN 0.450 nan 8.270 nan 0.000 0.437 306 H N 0.119 119.140 119.070 -0.081 0.000 2.357 306 H HA 0.010 4.566 4.556 -0.001 0.000 0.301 306 H C 1.943 177.283 175.328 0.021 0.000 1.082 306 H CA 1.592 57.632 56.048 -0.014 0.000 1.342 306 H CB -0.207 29.517 29.762 -0.062 0.000 1.389 306 H HN 0.395 nan 8.280 nan 0.000 0.511 307 A N 1.028 123.905 122.820 0.096 0.000 1.898 307 A HA -0.031 4.288 4.320 -0.001 0.000 0.216 307 A C 2.661 180.314 177.584 0.115 0.000 1.181 307 A CA 1.544 53.623 52.037 0.071 0.000 0.620 307 A CB -0.668 18.321 19.000 -0.018 0.000 0.819 307 A HN 0.416 nan 8.150 nan 0.000 0.442 308 A N 0.130 123.021 122.820 0.119 0.000 1.969 308 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 308 A C 1.879 179.605 177.584 0.236 0.000 1.169 308 A CA 1.676 53.831 52.037 0.196 0.000 0.635 308 A CB -0.538 18.614 19.000 0.254 0.000 0.810 308 A HN 0.522 nan 8.150 nan 0.000 0.445 309 N N 0.723 119.564 118.700 0.236 0.000 2.142 309 N HA -0.076 4.663 4.740 -0.001 0.000 0.186 309 N C 1.877 177.580 175.510 0.323 0.000 1.023 309 N CA 1.606 54.840 53.050 0.307 0.000 0.852 309 N CB -0.615 38.050 38.487 0.298 0.000 0.998 309 N HN 0.440 nan 8.380 nan 0.000 0.424 310 A N 0.919 123.900 122.820 0.269 0.000 1.902 310 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 310 A C 2.332 180.035 177.584 0.198 0.000 1.181 310 A CA 1.992 54.178 52.037 0.248 0.000 0.623 310 A CB -0.955 18.153 19.000 0.180 0.000 0.818 310 A HN 0.311 nan 8.150 nan 0.000 0.443 311 A N -1.364 121.571 122.820 0.191 0.000 1.940 311 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 311 A C 2.031 179.700 177.584 0.142 0.000 1.176 311 A CA 1.707 53.837 52.037 0.154 0.000 0.631 311 A CB -0.689 18.392 19.000 0.136 0.000 0.814 311 A HN 0.647 nan 8.150 nan 0.000 0.446 312 F N 0.533 120.511 119.950 0.046 0.000 2.186 312 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 312 F C 1.937 177.741 175.800 0.006 0.000 1.090 312 F CA 0.957 58.948 58.000 -0.015 0.000 1.307 312 F CB -0.057 38.939 39.000 -0.006 0.000 1.019 312 F HN 0.124 nan 8.300 nan 0.000 0.489 313 I N 0.063 120.669 120.570 0.060 0.000 2.286 313 I HA -0.309 3.860 4.170 -0.001 0.000 0.248 313 I C 2.338 178.444 176.117 -0.019 0.000 1.115 313 I CA 1.428 62.755 61.300 0.045 0.000 1.392 313 I CB -1.201 36.969 38.000 0.283 0.000 1.065 313 I HN 0.265 nan 8.210 nan 0.000 0.418 314 M N -0.219 119.368 119.600 -0.021 0.000 2.175 314 M HA -0.189 4.290 4.480 -0.001 0.000 0.264 314 M C 2.334 178.634 176.300 -0.000 0.000 1.063 314 M CA 1.649 56.913 55.300 -0.060 0.000 1.119 314 M CB -0.330 32.230 32.600 -0.067 0.000 1.377 314 M HN 0.147 nan 8.290 nan 0.000 0.415 315 L N -0.419 120.740 121.223 -0.107 0.000 2.093 315 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 315 L C 2.551 179.354 176.870 -0.111 0.000 1.085 315 L CA 0.889 55.641 54.840 -0.147 0.000 0.755 315 L CB -0.564 41.302 42.059 -0.321 0.000 0.904 315 L HN 0.257 nan 8.230 nan 0.000 0.435 316 E N 0.159 120.195 120.200 -0.272 0.000 2.107 316 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 316 E C 2.301 178.914 176.600 0.022 0.000 0.982 316 E CA 1.227 57.524 56.400 -0.171 0.000 0.809 316 E CB -0.068 29.424 29.700 -0.348 0.000 0.756 316 E HN 0.451 nan 8.360 nan 0.000 0.459 317 A N 1.421 124.289 122.820 0.079 0.000 1.930 317 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 317 A C 2.397 180.107 177.584 0.210 0.000 1.175 317 A CA 1.743 53.898 52.037 0.198 0.000 0.627 317 A CB -0.437 18.744 19.000 0.302 0.000 0.815 317 A HN 0.250 nan 8.150 nan 0.000 0.443 318 A N -0.329 122.617 122.820 0.209 0.000 1.972 318 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 318 A C 1.834 179.466 177.584 0.079 0.000 1.169 318 A CA 1.583 53.703 52.037 0.138 0.000 0.635 318 A CB -0.369 18.713 19.000 0.137 0.000 0.810 318 A HN 0.442 nan 8.150 nan 0.000 0.446 319 E N -0.010 120.241 120.200 0.085 0.000 2.268 319 E HA -0.078 4.271 4.350 -0.001 0.000 0.195 319 E C 1.661 178.287 176.600 0.042 0.000 0.995 319 E CA 0.607 57.045 56.400 0.062 0.000 0.836 319 E CB -0.269 29.462 29.700 0.053 0.000 0.763 319 E HN 0.697 nan 8.360 nan 0.000 0.491 320 L N -0.628 120.629 121.223 0.056 0.000 2.554 320 L HA 0.086 4.425 4.340 -0.001 0.000 0.226 320 L C 1.394 178.283 176.870 0.032 0.000 1.137 320 L CA 0.554 55.423 54.840 0.050 0.000 0.863 320 L CB -0.051 42.054 42.059 0.077 0.000 0.985 320 L HN 0.220 nan 8.230 nan 0.000 0.451 321 G N 0.224 109.036 108.800 0.019 0.000 2.159 321 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.227 321 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.227 321 G C 0.128 174.999 174.900 -0.048 0.000 0.986 321 G CA -0.483 44.612 45.100 -0.008 0.000 0.651 321 G HN 0.176 nan 8.290 nan 0.000 0.523 322 L N 1.663 122.852 121.223 -0.057 0.000 2.283 322 L HA 0.424 4.763 4.340 -0.001 0.000 0.287 322 L C 1.150 177.714 176.870 -0.510 0.000 1.073 322 L CA 0.058 54.793 54.840 -0.175 0.000 0.822 322 L CB 1.077 43.130 42.059 -0.009 0.000 1.186 322 L HN 0.232 nan 8.230 nan 0.000 0.436 323 S N 2.174 117.570 115.700 -0.507 0.000 3.294 323 S HA -0.309 4.161 4.470 -0.001 0.000 0.361 323 S C 1.640 175.981 174.600 -0.432 0.000 0.935 323 S CA 0.555 58.417 58.200 -0.562 0.000 1.263 323 S CB -0.769 61.892 63.200 -0.897 0.000 0.891 323 S HN 0.890 nan 8.310 nan 0.000 0.487 324 A N 1.316 124.021 122.820 -0.193 0.000 1.896 324 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 324 A C 2.356 179.967 177.584 0.046 0.000 1.206 324 A CA 2.477 54.493 52.037 -0.034 0.000 0.647 324 A CB -1.090 17.910 19.000 -0.001 0.000 0.828 324 A HN 0.679 nan 8.150 nan 0.000 0.455 325 S N -0.033 115.687 115.700 0.033 0.000 2.351 325 S HA -0.186 4.283 4.470 -0.001 0.000 0.220 325 S C 2.440 177.113 174.600 0.122 0.000 1.035 325 S CA 2.013 60.263 58.200 0.083 0.000 1.031 325 S CB -0.563 62.668 63.200 0.052 0.000 0.928 325 S HN 0.950 nan 8.310 nan 0.000 0.433 326 S N 0.739 116.501 115.700 0.103 0.000 2.383 326 S HA -0.096 4.374 4.470 -0.001 0.000 0.227 326 S C 1.749 176.553 174.600 0.339 0.000 1.026 326 S CA 0.975 59.285 58.200 0.184 0.000 0.981 326 S CB -0.763 62.526 63.200 0.148 0.000 0.818 326 S HN 0.435 nan 8.310 nan 0.000 0.472 327 Y N 2.348 122.699 120.300 0.085 0.000 2.145 327 Y HA 0.120 4.669 4.550 -0.001 0.000 0.286 327 Y C 2.788 178.764 175.900 0.126 0.000 1.145 327 Y CA 0.670 58.824 58.100 0.090 0.000 1.148 327 Y CB -0.782 37.709 38.460 0.051 0.000 0.981 327 Y HN 0.260 nan 8.280 nan 0.000 0.507 328 R N -0.415 120.257 120.500 0.286 0.000 2.092 328 R HA -0.203 4.136 4.340 -0.001 0.000 0.231 328 R C 2.236 178.687 176.300 0.252 0.000 1.119 328 R CA 1.451 57.684 56.100 0.223 0.000 0.970 328 R CB -0.298 30.137 30.300 0.225 0.000 0.864 328 R HN 0.247 nan 8.270 nan 0.000 0.440 329 Q N 0.381 120.322 119.800 0.234 0.000 2.050 329 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 329 Q C 1.666 177.760 176.000 0.155 0.000 0.980 329 Q CA 1.670 57.572 55.803 0.165 0.000 0.840 329 Q CB -0.380 28.439 28.738 0.136 0.000 0.898 329 Q HN 0.308 nan 8.270 nan 0.000 0.424 330 F N 0.244 120.245 119.950 0.084 0.000 2.186 330 F HA -0.042 4.484 4.527 -0.001 0.000 0.299 330 F C 1.987 177.812 175.800 0.041 0.000 1.090 330 F CA 1.349 59.378 58.000 0.049 0.000 1.307 330 F CB -0.529 38.481 39.000 0.017 0.000 1.019 330 F HN 0.200 nan 8.300 nan 0.000 0.489 331 A N -0.323 122.614 122.820 0.196 0.000 1.902 331 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 331 A C 2.199 179.797 177.584 0.023 0.000 1.181 331 A CA 1.842 53.942 52.037 0.105 0.000 0.623 331 A CB -1.036 18.014 19.000 0.083 0.000 0.818 331 A HN 0.569 nan 8.150 nan 0.000 0.443 332 Q N -0.288 119.538 119.800 0.044 0.000 2.124 332 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 332 Q C 2.118 178.139 176.000 0.035 0.000 0.977 332 Q CA 2.302 58.133 55.803 0.047 0.000 0.850 332 Q CB -0.339 28.462 28.738 0.106 0.000 0.901 332 Q HN 0.825 nan 8.270 nan 0.000 0.429 333 T N -1.631 112.882 114.554 -0.069 0.000 2.833 333 T HA -0.144 4.206 4.350 -0.001 0.000 0.269 333 T C 1.701 176.364 174.700 -0.062 0.000 1.054 333 T CA 0.969 63.008 62.100 -0.101 0.000 1.135 333 T CB -0.084 68.602 68.868 -0.303 0.000 0.869 333 T HN 0.211 nan 8.240 nan 0.000 0.466 334 Q N 0.743 120.468 119.800 -0.124 0.000 2.049 334 Q HA 0.094 4.434 4.340 -0.001 0.000 0.198 334 Q C 2.551 178.615 176.000 0.108 0.000 0.971 334 Q CA 0.874 56.658 55.803 -0.032 0.000 0.833 334 Q CB -0.427 28.290 28.738 -0.035 0.000 0.896 334 Q HN 0.479 nan 8.270 nan 0.000 0.434 335 I N 1.624 122.262 120.570 0.113 0.000 2.226 335 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 335 I C 1.529 177.758 176.117 0.185 0.000 1.100 335 I CA 1.236 62.644 61.300 0.179 0.000 1.374 335 I CB -1.133 36.921 38.000 0.090 0.000 1.057 335 I HN 0.134 nan 8.210 nan 0.000 0.413 336 D N -0.197 120.318 120.400 0.192 0.000 2.218 336 D HA -0.225 4.414 4.640 -0.001 0.000 0.204 336 D C 2.054 178.453 176.300 0.164 0.000 0.976 336 D CA 0.961 55.087 54.000 0.209 0.000 0.853 336 D CB -0.307 40.696 40.800 0.339 0.000 0.939 336 D HN 0.373 nan 8.370 nan 0.000 0.481 337 Y N 1.462 121.810 120.300 0.080 0.000 2.200 337 Y HA -0.101 4.448 4.550 -0.001 0.000 0.290 337 Y C 2.244 178.225 175.900 0.136 0.000 1.137 337 Y CA 1.542 59.699 58.100 0.096 0.000 1.163 337 Y CB -0.347 38.144 38.460 0.050 0.000 0.988 337 Y HN -0.054 nan 8.280 nan 0.000 0.518 338 A N 0.174 123.204 122.820 0.350 0.000 1.972 338 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 338 A C 2.132 179.786 177.584 0.117 0.000 1.169 338 A CA 1.730 53.930 52.037 0.273 0.000 0.635 338 A CB -1.055 18.026 19.000 0.136 0.000 0.810 338 A HN 0.549 nan 8.150 nan 0.000 0.446 339 L N -2.085 119.112 121.223 -0.043 0.000 2.492 339 L HA 0.171 4.510 4.340 -0.001 0.000 0.223 339 L C 1.704 178.460 176.870 -0.190 0.000 1.132 339 L CA 0.744 55.435 54.840 -0.248 0.000 0.850 339 L CB -0.063 41.494 42.059 -0.836 0.000 0.966 339 L HN 0.590 nan 8.230 nan 0.000 0.454 340 G N -1.357 107.373 108.800 -0.118 0.000 2.559 340 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.202 340 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.202 340 G C 0.312 175.211 174.900 -0.002 0.000 0.992 340 G CA -0.214 44.857 45.100 -0.049 0.000 0.764 340 G HN 0.149 nan 8.290 nan 0.000 0.525 341 D N 0.925 121.349 120.400 0.041 0.000 2.378 341 D HA 0.128 4.767 4.640 -0.001 0.000 0.222 341 D C 2.213 178.436 176.300 -0.128 0.000 0.980 341 D CA 1.249 55.271 54.000 0.036 0.000 0.907 341 D CB -0.148 40.736 40.800 0.140 0.000 0.899 341 D HN 0.468 nan 8.370 nan 0.000 0.527 342 G N -1.186 107.363 108.800 -0.418 0.000 3.042 342 G HA2 0.345 4.304 3.960 -0.001 0.000 0.212 342 G HA3 0.345 4.304 3.960 -0.001 0.000 0.212 342 G C 1.178 175.960 174.900 -0.196 0.000 1.166 342 G CA 0.373 45.189 45.100 -0.474 0.000 0.767 342 G HN 0.392 nan 8.290 nan 0.000 0.546 343 G N -0.057 108.638 108.800 -0.174 0.000 2.617 343 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.197 343 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.197 343 G C 0.323 175.121 174.900 -0.170 0.000 1.017 343 G CA 0.047 45.075 45.100 -0.120 0.000 0.713 343 G HN 1.006 nan 8.290 nan 0.000 0.481 344 R N -0.357 119.961 120.500 -0.302 0.000 2.692 344 R HA 0.729 5.068 4.340 -0.001 0.000 0.269 344 R C -0.691 175.259 176.300 -0.584 0.000 1.030 344 R CA 0.047 55.913 56.100 -0.390 0.000 0.882 344 R CB 0.924 30.971 30.300 -0.423 0.000 1.250 344 R HN 0.555 nan 8.270 nan 0.000 0.465 345 S N 0.357 115.801 115.700 -0.427 0.000 2.580 345 S HA 0.338 4.807 4.470 -0.001 0.000 0.274 345 S C -0.399 173.854 174.600 -0.579 0.000 1.329 345 S CA -0.492 57.515 58.200 -0.321 0.000 1.036 345 S CB 0.198 63.365 63.200 -0.056 0.000 0.919 345 S HN 0.477 nan 8.310 nan 0.000 0.515 346 F N 2.860 122.741 119.950 -0.116 0.000 2.698 346 F HA 0.371 4.897 4.527 -0.001 0.000 0.304 346 F C -0.145 175.564 175.800 -0.151 0.000 1.108 346 F CA -0.305 57.584 58.000 -0.186 0.000 1.263 346 F CB 0.812 39.689 39.000 -0.205 0.000 1.013 346 F HN 0.254 nan 8.300 nan 0.000 0.532 347 V N 0.405 120.337 119.914 0.029 0.000 2.357 347 V HA 0.191 4.310 4.120 -0.001 0.000 0.284 347 V C 0.230 176.362 176.094 0.063 0.000 1.018 347 V CA -1.348 60.953 62.300 0.003 0.000 0.841 347 V CB 0.750 32.588 31.823 0.026 0.000 0.991 347 V HN 0.165 nan 8.190 nan 0.000 0.437 348 C N 4.187 123.498 119.300 0.019 0.000 2.634 348 C HA 0.398 4.858 4.460 -0.001 0.000 0.417 348 C C 1.779 176.830 174.990 0.101 0.000 1.334 348 C CA 1.034 60.082 59.018 0.049 0.000 1.829 348 C CB -0.639 27.116 27.740 0.025 0.000 2.665 348 C HN 1.389 nan 8.230 nan 0.000 0.614 349 G N 1.839 110.697 108.800 0.096 0.000 2.155 349 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.257 349 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.257 349 G C -0.294 174.706 174.900 0.168 0.000 0.983 349 G CA 0.576 45.746 45.100 0.116 0.000 0.676 349 G HN 0.884 nan 8.290 nan 0.000 0.528 350 F N 0.216 120.166 119.950 0.001 0.000 2.578 350 F HA 0.592 5.118 4.527 -0.001 0.000 0.311 350 F C 0.796 176.579 175.800 -0.028 0.000 1.094 350 F CA 0.861 58.861 58.000 -0.001 0.000 0.923 350 F CB 1.457 40.464 39.000 0.012 0.000 1.230 350 F HN 1.295 nan 8.300 nan 0.000 0.450 351 G N 2.437 110.538 108.800 -1.166 0.000 2.645 351 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.246 351 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.246 351 G C -0.686 174.016 174.900 -0.330 0.000 1.322 351 G CA -0.290 44.333 45.100 -0.795 0.000 0.898 351 G HN 1.204 nan 8.290 nan 0.000 0.573 352 S N 0.115 115.683 115.700 -0.220 0.000 2.474 352 S HA 0.376 4.846 4.470 -0.001 0.000 0.276 352 S C 1.048 175.554 174.600 -0.157 0.000 1.227 352 S CA 1.053 59.158 58.200 -0.158 0.000 1.050 352 S CB -0.505 62.623 63.200 -0.121 0.000 0.939 352 S HN 1.668 nan 8.310 nan 0.000 0.490 353 N N 3.381 122.005 118.700 -0.126 0.000 2.686 353 N HA -0.109 4.631 4.740 -0.001 0.000 0.261 353 N C -2.406 173.027 175.510 -0.130 0.000 1.001 353 N CA -0.125 52.861 53.050 -0.108 0.000 0.764 353 N CB -0.221 38.206 38.487 -0.100 0.000 0.898 353 N HN 0.450 nan 8.380 nan 0.000 0.544 354 P HA 0.258 nan 4.420 nan 0.000 0.274 354 P C -2.684 174.603 177.300 -0.023 0.000 1.256 354 P CA -0.997 62.044 63.100 -0.099 0.000 0.795 354 P CB 0.184 31.860 31.700 -0.039 0.000 1.038 355 P HA 0.076 nan 4.420 nan 0.000 0.268 355 P C 0.732 178.091 177.300 0.097 0.000 1.204 355 P CA 0.500 63.688 63.100 0.148 0.000 0.768 355 P CB 0.027 31.852 31.700 0.209 0.000 0.842 356 T N -0.684 113.926 114.554 0.094 0.000 3.043 356 T HA 0.220 4.569 4.350 -0.001 0.000 0.272 356 T C 0.662 175.404 174.700 0.071 0.000 0.990 356 T CA -0.185 61.950 62.100 0.057 0.000 0.897 356 T CB -0.020 68.859 68.868 0.019 0.000 1.111 356 T HN 0.220 nan 8.240 nan 0.000 0.529 357 R N 2.326 122.889 120.500 0.106 0.000 2.989 357 R HA 0.319 4.659 4.340 -0.001 0.000 0.340 357 R C -2.820 173.596 176.300 0.194 0.000 1.205 357 R CA -1.786 54.384 56.100 0.117 0.000 1.235 357 R CB 0.695 31.033 30.300 0.064 0.000 1.394 357 R HN 0.371 nan 8.270 nan 0.000 0.598 358 P HA -0.111 nan 4.420 nan 0.000 0.267 358 P C -0.540 176.995 177.300 0.392 0.000 1.200 358 P CA 0.083 63.351 63.100 0.280 0.000 0.772 358 P CB 0.653 32.472 31.700 0.199 0.000 0.855 359 H N 2.672 121.960 119.070 0.363 0.000 3.392 359 H HA 0.083 4.638 4.556 -0.001 0.000 0.253 359 H C -0.353 175.248 175.328 0.455 0.000 1.682 359 H CA 0.554 56.889 56.048 0.478 0.000 1.535 359 H CB -1.166 28.860 29.762 0.439 0.000 1.823 359 H HN 0.324 nan 8.280 nan 0.000 0.576 360 H N 3.958 123.140 119.070 0.186 0.000 3.096 360 H HA 0.184 4.739 4.556 -0.001 0.000 0.335 360 H C 0.408 175.613 175.328 -0.206 0.000 0.990 360 H CA -0.584 55.452 56.048 -0.021 0.000 1.393 360 H CB 0.880 30.724 29.762 0.137 0.000 1.742 360 H HN 0.629 nan 8.280 nan 0.000 0.501 361 R N 1.252 121.146 120.500 -1.010 0.000 2.061 361 R HA -0.139 4.201 4.340 -0.001 0.000 0.230 361 R C 2.265 178.295 176.300 -0.450 0.000 1.140 361 R CA 1.964 57.312 56.100 -1.253 0.000 0.940 361 R CB -0.092 29.201 30.300 -1.677 0.000 0.839 361 R HN 0.601 nan 8.270 nan 0.000 0.429 362 S N -0.006 115.551 115.700 -0.239 0.000 2.383 362 S HA -0.166 4.303 4.470 -0.001 0.000 0.229 362 S C 2.109 176.906 174.600 0.328 0.000 1.030 362 S CA 1.711 60.030 58.200 0.198 0.000 1.002 362 S CB -0.310 63.135 63.200 0.408 0.000 0.829 362 S HN 0.232 nan 8.310 nan 0.000 0.467 363 S N 1.488 117.442 115.700 0.423 0.000 2.461 363 S HA -0.023 4.447 4.470 -0.001 0.000 0.228 363 S C 2.011 176.687 174.600 0.128 0.000 1.005 363 S CA 1.105 59.387 58.200 0.137 0.000 0.942 363 S CB -0.711 62.672 63.200 0.305 0.000 0.776 363 S HN 0.842 nan 8.310 nan 0.000 0.514 364 S N -0.426 115.390 115.700 0.194 0.000 2.489 364 S HA 0.122 4.591 4.470 -0.001 0.000 0.228 364 S C 0.754 175.429 174.600 0.125 0.000 0.995 364 S CA -0.150 58.172 58.200 0.203 0.000 0.934 364 S CB -0.876 62.567 63.200 0.406 0.000 0.771 364 S HN 0.506 nan 8.310 nan 0.000 0.522 365 c N 4.963 123.614 118.600 0.085 0.000 2.527 365 c HA 0.528 5.097 4.570 -0.001 0.000 0.396 365 c C -1.609 172.327 174.090 -0.257 0.000 1.289 365 c CA -1.614 54.706 56.329 -0.014 0.000 2.047 365 c CB 0.538 43.066 42.510 0.030 0.000 2.568 365 c HN 0.469 nan 8.230 nan 0.000 0.573 366 P HA 0.290 nan 4.420 nan 0.000 0.276 366 P C -2.641 174.368 177.300 -0.485 0.000 1.261 366 P CA -1.178 61.288 63.100 -1.057 0.000 0.800 366 P CB -0.062 31.235 31.700 -0.673 0.000 1.066 367 P HA 0.137 nan 4.420 nan 0.000 0.274 367 P C -0.260 177.005 177.300 -0.059 0.000 1.231 367 P CA -0.107 62.946 63.100 -0.078 0.000 0.790 367 P CB 0.364 32.075 31.700 0.019 0.000 0.951 368 A N 3.826 126.644 122.820 -0.003 0.000 2.448 368 A HA 0.247 4.566 4.320 -0.001 0.000 0.239 368 A C -0.826 176.759 177.584 0.002 0.000 1.080 368 A CA -0.701 51.336 52.037 -0.000 0.000 0.779 368 A CB -1.207 17.801 19.000 0.014 0.000 1.026 368 A HN 0.541 nan 8.150 nan 0.000 0.499 369 P HA 0.170 nan 4.420 nan 0.000 0.253 369 P C 0.358 177.658 177.300 -0.001 0.000 1.260 369 P CA 0.656 63.758 63.100 0.004 0.000 0.800 369 P CB -0.269 31.436 31.700 0.009 0.000 1.162 370 A N 1.297 124.106 122.820 -0.017 0.000 2.498 370 A HA 0.318 4.637 4.320 -0.001 0.000 0.239 370 A C 0.841 178.416 177.584 -0.015 0.000 1.068 370 A CA 0.055 52.079 52.037 -0.022 0.000 0.766 370 A CB -0.366 18.602 19.000 -0.053 0.000 1.003 370 A HN 0.351 nan 8.150 nan 0.000 0.497 371 T N -0.601 113.954 114.554 0.002 0.000 2.930 371 T HA 0.337 4.687 4.350 -0.001 0.000 0.306 371 T C -0.082 174.623 174.700 0.009 0.000 1.045 371 T CA -0.415 61.696 62.100 0.017 0.000 1.134 371 T CB 0.585 69.473 68.868 0.033 0.000 0.961 371 T HN 0.883 nan 8.240 nan 0.000 0.545 372 c N 5.225 123.833 118.600 0.014 0.000 2.346 372 c HA 0.747 5.317 4.570 -0.001 0.000 0.326 372 c C -0.742 173.341 174.090 -0.012 0.000 1.224 372 c CA -0.289 56.043 56.329 0.004 0.000 1.408 372 c CB -0.480 42.020 42.510 -0.016 0.000 2.089 372 c HN 1.169 nan 8.230 nan 0.000 0.456 373 D N 2.330 122.741 120.400 0.019 0.000 3.009 373 D HA 0.261 4.901 4.640 -0.001 0.000 0.318 373 D C 0.340 176.639 176.300 -0.002 0.000 1.273 373 D CA -0.635 53.354 54.000 -0.018 0.000 1.001 373 D CB -0.012 40.838 40.800 0.083 0.000 1.411 373 D HN 0.437 nan 8.370 nan 0.000 0.577 374 W N -0.011 121.331 121.300 0.070 0.000 2.468 374 W HA 0.076 4.735 4.660 -0.001 0.000 0.262 374 W C 1.533 178.051 176.519 -0.002 0.000 1.241 374 W CA 0.827 58.170 57.345 -0.003 0.000 1.232 374 W CB -0.598 28.859 29.460 -0.004 0.000 1.124 374 W HN 0.386 nan 8.180 nan 0.000 0.597 375 N N -1.033 117.779 118.700 0.187 0.000 2.309 375 N HA -0.122 4.618 4.740 -0.001 0.000 0.182 375 N C 1.564 177.099 175.510 0.042 0.000 1.018 375 N CA 1.813 54.928 53.050 0.108 0.000 0.876 375 N CB -0.367 38.170 38.487 0.083 0.000 0.972 375 N HN -0.041 nan 8.380 nan 0.000 0.434 376 T N 0.194 114.770 114.554 0.036 0.000 2.812 376 T HA -0.100 4.249 4.350 -0.001 0.000 0.264 376 T C 1.500 176.160 174.700 -0.067 0.000 1.042 376 T CA 0.654 62.770 62.100 0.027 0.000 1.140 376 T CB -0.412 68.525 68.868 0.115 0.000 0.870 376 T HN 0.252 nan 8.240 nan 0.000 0.445 377 F N 2.888 122.549 119.950 -0.481 0.000 2.161 377 F HA -0.072 4.455 4.527 -0.001 0.000 0.300 377 F C 1.777 177.359 175.800 -0.363 0.000 1.089 377 F CA 1.070 58.554 58.000 -0.861 0.000 1.282 377 F CB -0.440 37.573 39.000 -1.644 0.000 1.010 377 F HN 0.042 nan 8.300 nan 0.000 0.485 378 N N 0.223 118.769 118.700 -0.256 0.000 2.521 378 N HA -0.044 4.696 4.740 -0.001 0.000 0.188 378 N C 0.168 175.560 175.510 -0.196 0.000 1.146 378 N CA 0.339 53.248 53.050 -0.235 0.000 0.893 378 N CB -0.236 38.250 38.487 -0.001 0.000 0.975 378 N HN 0.182 nan 8.380 nan 0.000 0.451 379 S N 0.041 115.636 115.700 -0.175 0.000 2.549 379 S HA 0.176 4.646 4.470 -0.001 0.000 0.283 379 S C -1.527 172.998 174.600 -0.126 0.000 1.320 379 S CA -1.204 56.931 58.200 -0.108 0.000 1.058 379 S CB 0.861 64.025 63.200 -0.060 0.000 0.882 379 S HN 0.124 nan 8.310 nan 0.000 0.498 380 P HA 0.110 nan 4.420 nan 0.000 0.225 380 P C -0.493 176.765 177.300 -0.069 0.000 1.156 380 P CA 0.460 63.510 63.100 -0.084 0.000 0.787 380 P CB 0.066 31.729 31.700 -0.062 0.000 0.802 381 D N 0.613 120.979 120.400 -0.056 0.000 2.360 381 D HA 0.120 4.760 4.640 -0.001 0.000 0.242 381 D C -1.981 174.295 176.300 -0.041 0.000 1.184 381 D CA -1.663 52.310 54.000 -0.045 0.000 0.930 381 D CB -0.580 40.200 40.800 -0.034 0.000 1.161 381 D HN 0.122 nan 8.370 nan 0.000 0.447 382 P HA 0.062 nan 4.420 nan 0.000 0.272 382 P C -0.409 176.882 177.300 -0.014 0.000 1.240 382 P CA -0.509 62.576 63.100 -0.025 0.000 0.791 382 P CB 0.503 32.182 31.700 -0.036 0.000 0.978 383 N N 0.481 119.192 118.700 0.019 0.000 2.357 383 N HA -0.108 4.632 4.740 -0.001 0.000 0.257 383 N C 1.008 176.505 175.510 -0.021 0.000 1.250 383 N CA 0.212 53.289 53.050 0.046 0.000 0.862 383 N CB -0.467 38.074 38.487 0.091 0.000 1.066 383 N HN 0.460 nan 8.380 nan 0.000 0.468 384 Y N 2.687 122.879 120.300 -0.179 0.000 2.102 384 Y HA -0.228 4.321 4.550 -0.001 0.000 0.280 384 Y C 0.609 176.228 175.900 -0.469 0.000 1.178 384 Y CA 1.800 59.695 58.100 -0.342 0.000 1.146 384 Y CB 0.077 38.255 38.460 -0.470 0.000 0.968 384 Y HN 0.575 nan 8.280 nan 0.000 0.504 385 H N -0.410 118.581 119.070 -0.132 0.000 2.458 385 H HA 0.317 4.873 4.556 -0.001 0.000 0.330 385 H C -0.417 174.752 175.328 -0.264 0.000 1.111 385 H CA -0.755 55.036 56.048 -0.428 0.000 1.245 385 H CB 1.287 30.272 29.762 -1.295 0.000 1.456 385 H HN -0.171 nan 8.280 nan 0.000 0.488 386 V N 4.451 124.355 119.914 -0.017 0.000 2.521 386 V HA -0.096 4.024 4.120 -0.001 0.000 0.286 386 V C 0.723 176.919 176.094 0.170 0.000 1.034 386 V CA -0.309 62.027 62.300 0.061 0.000 1.045 386 V CB 0.747 32.613 31.823 0.072 0.000 0.974 386 V HN 0.432 nan 8.190 nan 0.000 0.480 387 L N 6.358 127.675 121.223 0.157 0.000 2.480 387 L HA 0.304 4.644 4.340 -0.001 0.000 0.243 387 L C 0.841 177.829 176.870 0.196 0.000 1.315 387 L CA 0.506 55.481 54.840 0.226 0.000 1.231 387 L CB -0.304 41.802 42.059 0.077 0.000 1.444 387 L HN 0.701 nan 8.230 nan 0.000 0.409 388 S N 2.124 117.965 115.700 0.234 0.000 2.626 388 S HA 0.324 4.794 4.470 -0.001 0.000 0.303 388 S C 1.395 176.105 174.600 0.182 0.000 1.256 388 S CA 0.593 58.910 58.200 0.194 0.000 1.069 388 S CB 0.093 63.414 63.200 0.203 0.000 0.807 388 S HN 1.004 nan 8.310 nan 0.000 0.500 389 G N 1.828 110.707 108.800 0.131 0.000 2.217 389 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.246 389 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.246 389 G C 0.200 175.047 174.900 -0.088 0.000 0.990 389 G CA -0.121 45.038 45.100 0.100 0.000 0.627 389 G HN 1.317 nan 8.290 nan 0.000 0.522 390 A N 0.335 122.990 122.820 -0.275 0.000 2.454 390 A HA 0.653 4.972 4.320 -0.001 0.000 0.260 390 A C 0.220 177.526 177.584 -0.464 0.000 1.106 390 A CA 0.198 51.769 52.037 -0.777 0.000 0.780 390 A CB 0.647 19.203 19.000 -0.741 0.000 1.044 390 A HN 1.439 nan 8.150 nan 0.000 0.498 391 L N 5.419 126.325 121.223 -0.529 0.000 2.260 391 L HA 0.478 4.818 4.340 -0.001 0.000 0.289 391 L C 0.362 177.152 176.870 -0.133 0.000 1.057 391 L CA -0.060 54.540 54.840 -0.400 0.000 0.811 391 L CB 0.875 42.538 42.059 -0.659 0.000 1.184 391 L HN 0.680 nan 8.230 nan 0.000 0.429 392 V N 3.099 122.995 119.914 -0.029 0.000 3.336 392 V HA 0.590 4.709 4.120 -0.001 0.000 0.304 392 V C 1.414 177.572 176.094 0.107 0.000 1.073 392 V CA 0.300 62.682 62.300 0.136 0.000 1.074 392 V CB 0.297 32.235 31.823 0.192 0.000 1.161 392 V HN 0.799 nan 8.190 nan 0.000 0.460 393 G N -0.053 108.885 108.800 0.230 0.000 2.476 393 G HA2 0.347 4.306 3.960 -0.001 0.000 0.218 393 G HA3 0.347 4.306 3.960 -0.001 0.000 0.218 393 G C 1.007 175.881 174.900 -0.044 0.000 1.164 393 G CA 1.153 46.310 45.100 0.096 0.000 0.768 393 G HN 2.182 nan 8.290 nan 0.000 0.560 394 G N -0.850 107.947 108.800 -0.005 0.000 2.422 394 G HA2 0.120 4.079 3.960 -0.001 0.000 0.607 394 G HA3 0.120 4.079 3.960 -0.001 0.000 0.607 394 G C -2.986 171.847 174.900 -0.111 0.000 1.270 394 G CA -0.247 44.632 45.100 -0.369 0.000 0.992 394 G HN 0.442 nan 8.290 nan 0.000 0.499 395 P HA 0.362 nan 4.420 nan 0.000 0.277 395 P C -0.430 176.931 177.300 0.101 0.000 1.271 395 P CA 0.241 63.324 63.100 -0.028 0.000 0.795 395 P CB 0.608 32.304 31.700 -0.007 0.000 1.101 396 D N -1.145 119.297 120.400 0.071 0.000 2.440 396 D HA -0.011 4.628 4.640 -0.001 0.000 0.269 396 D C 1.358 177.628 176.300 -0.050 0.000 1.249 396 D CA -0.327 53.746 54.000 0.121 0.000 1.055 396 D CB -0.396 40.428 40.800 0.040 0.000 1.104 396 D HN 0.471 nan 8.370 nan 0.000 0.561 397 Q N -1.232 118.324 119.800 -0.406 0.000 2.508 397 Q HA -0.112 4.227 4.340 -0.001 0.000 0.214 397 Q C -0.008 175.802 176.000 -0.317 0.000 0.979 397 Q CA 0.958 56.293 55.803 -0.779 0.000 0.911 397 Q CB -0.410 27.656 28.738 -1.120 0.000 0.969 397 Q HN 0.306 nan 8.270 nan 0.000 0.504 398 N N 0.875 119.479 118.700 -0.161 0.000 2.282 398 N HA 0.044 4.784 4.740 -0.001 0.000 0.240 398 N C -0.866 174.647 175.510 0.005 0.000 1.182 398 N CA 0.191 53.197 53.050 -0.073 0.000 0.874 398 N CB 0.790 39.239 38.487 -0.064 0.000 1.126 398 N HN 0.197 nan 8.380 nan 0.000 0.516 399 D N 0.149 120.574 120.400 0.042 0.000 3.012 399 D HA -0.174 4.466 4.640 -0.001 0.000 0.222 399 D C -0.416 175.977 176.300 0.155 0.000 1.167 399 D CA 0.871 54.963 54.000 0.153 0.000 0.854 399 D CB -1.710 39.207 40.800 0.195 0.000 1.107 399 D HN 0.493 nan 8.370 nan 0.000 0.421 400 N N -0.161 118.591 118.700 0.086 0.000 2.498 400 N HA 0.492 5.231 4.740 -0.001 0.000 0.287 400 N C -0.617 174.956 175.510 0.106 0.000 1.097 400 N CA -0.353 52.740 53.050 0.072 0.000 0.973 400 N CB 1.129 39.614 38.487 -0.002 0.000 1.153 400 N HN 0.140 nan 8.380 nan 0.000 0.472 401 Y N 0.935 121.217 120.300 -0.030 0.000 2.521 401 Y HA 0.431 4.981 4.550 -0.001 0.000 0.328 401 Y C -2.023 173.861 175.900 -0.026 0.000 1.151 401 Y CA -0.726 57.344 58.100 -0.050 0.000 1.054 401 Y CB 1.093 39.668 38.460 0.191 0.000 1.338 401 Y HN 0.213 nan 8.280 nan 0.000 0.453 402 V N 4.619 123.966 119.914 -0.944 0.000 2.623 402 V HA 0.237 4.356 4.120 -0.001 0.000 0.304 402 V C -1.051 174.494 176.094 -0.916 0.000 1.054 402 V CA -0.923 60.962 62.300 -0.691 0.000 0.882 402 V CB 1.732 33.354 31.823 -0.334 0.000 1.002 402 V HN 0.780 nan 8.190 nan 0.000 0.424 403 D N 3.645 123.701 120.400 -0.573 0.000 2.349 403 D HA 0.248 4.888 4.640 -0.001 0.000 0.266 403 D C -0.659 175.565 176.300 -0.126 0.000 1.293 403 D CA 0.611 54.485 54.000 -0.210 0.000 0.926 403 D CB 0.493 41.309 40.800 0.027 0.000 1.090 403 D HN 0.644 nan 8.370 nan 0.000 0.502 404 D N 2.552 122.910 120.400 -0.070 0.000 2.736 404 D HA 0.135 4.775 4.640 -0.001 0.000 0.243 404 D C 0.778 177.112 176.300 0.056 0.000 1.304 404 D CA -0.620 53.359 54.000 -0.036 0.000 0.934 404 D CB 0.990 41.748 40.800 -0.070 0.000 1.382 404 D HN 0.275 nan 8.370 nan 0.000 0.571 405 R N 1.968 122.488 120.500 0.034 0.000 2.127 405 R HA -0.136 4.204 4.340 -0.001 0.000 0.238 405 R C 1.479 177.970 176.300 0.318 0.000 1.134 405 R CA 2.012 58.189 56.100 0.129 0.000 0.975 405 R CB 0.073 30.328 30.300 -0.074 0.000 0.865 405 R HN 0.453 nan 8.270 nan 0.000 0.447 406 S N -0.483 115.312 115.700 0.159 0.000 2.522 406 S HA -0.075 4.394 4.470 -0.001 0.000 0.227 406 S C 0.598 175.300 174.600 0.171 0.000 0.986 406 S CA 0.270 58.684 58.200 0.357 0.000 0.929 406 S CB 0.108 63.438 63.200 0.215 0.000 0.769 406 S HN 0.185 nan 8.310 nan 0.000 0.529 407 D N 2.035 122.474 120.400 0.065 0.000 2.435 407 D HA 0.083 4.722 4.640 -0.001 0.000 0.230 407 D C 0.166 176.429 176.300 -0.062 0.000 1.215 407 D CA -0.550 53.388 54.000 -0.105 0.000 0.947 407 D CB 0.158 40.962 40.800 0.007 0.000 1.048 407 D HN 0.584 nan 8.370 nan 0.000 0.512 408 Y N 1.650 121.936 120.300 -0.024 0.000 2.519 408 Y HA 0.147 4.697 4.550 -0.001 0.000 0.311 408 Y C 1.160 177.138 175.900 0.130 0.000 1.207 408 Y CA -0.430 57.620 58.100 -0.082 0.000 1.289 408 Y CB -0.440 37.859 38.460 -0.268 0.000 1.059 408 Y HN 0.092 nan 8.280 nan 0.000 0.507 409 V N -0.007 119.905 119.914 -0.005 0.000 2.602 409 V HA -0.100 4.019 4.120 -0.001 0.000 0.235 409 V C 2.235 178.274 176.094 -0.092 0.000 1.087 409 V CA 1.136 63.337 62.300 -0.165 0.000 1.117 409 V CB -0.437 30.954 31.823 -0.719 0.000 0.820 409 V HN 0.367 nan 8.190 nan 0.000 0.490 410 H N 0.162 119.291 119.070 0.098 0.000 2.436 410 H HA 0.068 4.623 4.556 -0.001 0.000 0.294 410 H C 1.114 176.637 175.328 0.324 0.000 1.048 410 H CA 1.217 57.392 56.048 0.211 0.000 1.353 410 H CB 0.050 29.953 29.762 0.236 0.000 1.414 410 H HN 0.324 nan 8.280 nan 0.000 0.536 411 N N 0.913 119.845 118.700 0.386 0.000 2.238 411 N HA -0.002 4.737 4.740 -0.001 0.000 0.222 411 N C 0.072 175.809 175.510 0.380 0.000 1.133 411 N CA -0.021 53.262 53.050 0.388 0.000 0.854 411 N CB 0.612 39.312 38.487 0.355 0.000 1.041 411 N HN 0.303 nan 8.380 nan 0.000 0.510 412 E N 0.700 121.128 120.200 0.380 0.000 2.383 412 E HA 0.280 4.630 4.350 -0.001 0.000 0.264 412 E C -0.463 176.320 176.600 0.305 0.000 1.050 412 E CA -0.494 56.126 56.400 0.366 0.000 0.896 412 E CB 0.767 30.704 29.700 0.396 0.000 0.982 412 E HN 0.019 nan 8.360 nan 0.000 0.424 413 V N 0.212 120.200 119.914 0.123 0.000 3.007 413 V HA 1.028 5.147 4.120 -0.001 0.000 0.311 413 V C -0.667 175.324 176.094 -0.172 0.000 1.120 413 V CA -0.410 61.873 62.300 -0.027 0.000 0.980 413 V CB 1.220 33.050 31.823 0.011 0.000 1.033 413 V HN 0.923 nan 8.190 nan 0.000 0.429 414 A N 1.742 124.417 122.820 -0.240 0.000 2.608 414 A HA 0.731 5.051 4.320 -0.001 0.000 0.292 414 A C 0.662 178.402 177.584 0.260 0.000 1.066 414 A CA 0.090 52.094 52.037 -0.055 0.000 0.676 414 A CB 1.135 19.872 19.000 -0.438 0.000 1.277 414 A HN 2.008 nan 8.150 nan 0.000 0.413 415 T N -1.305 113.416 114.554 0.278 0.000 2.759 415 T HA -0.203 4.147 4.350 -0.001 0.000 0.269 415 T C 1.219 176.187 174.700 0.447 0.000 1.042 415 T CA 2.250 64.558 62.100 0.347 0.000 1.140 415 T CB -0.587 68.418 68.868 0.228 0.000 0.864 415 T HN 0.820 nan 8.240 nan 0.000 0.455 416 D N -0.185 120.453 120.400 0.397 0.000 2.219 416 D HA -0.179 4.460 4.640 -0.001 0.000 0.205 416 D C 1.708 178.366 176.300 0.597 0.000 0.970 416 D CA 0.753 55.081 54.000 0.547 0.000 0.851 416 D CB -0.509 40.621 40.800 0.549 0.000 0.943 416 D HN 0.382 nan 8.370 nan 0.000 0.488 417 Y N 1.383 121.846 120.300 0.271 0.000 2.224 417 Y HA -0.092 4.458 4.550 -0.001 0.000 0.289 417 Y C 1.910 177.893 175.900 0.138 0.000 1.146 417 Y CA 1.030 59.219 58.100 0.148 0.000 1.182 417 Y CB -0.869 37.618 38.460 0.044 0.000 0.983 417 Y HN 0.043 nan 8.280 nan 0.000 0.524 418 N N -0.821 118.111 118.700 0.386 0.000 2.412 418 N HA 0.102 4.842 4.740 -0.001 0.000 0.184 418 N C 1.739 177.559 175.510 0.517 0.000 1.101 418 N CA 0.613 53.901 53.050 0.397 0.000 0.881 418 N CB -0.061 38.584 38.487 0.265 0.000 0.969 418 N HN 0.247 nan 8.380 nan 0.000 0.459 419 A N 0.375 123.473 122.820 0.464 0.000 1.835 419 A HA 0.011 4.330 4.320 -0.001 0.000 0.215 419 A C 2.304 179.955 177.584 0.112 0.000 1.199 419 A CA 1.816 54.019 52.037 0.276 0.000 0.615 419 A CB -1.343 17.753 19.000 0.161 0.000 0.838 419 A HN 0.313 nan 8.150 nan 0.000 0.444 420 G N -1.407 107.481 108.800 0.146 0.000 2.422 420 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.218 420 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.218 420 G C 1.464 176.392 174.900 0.046 0.000 1.146 420 G CA 1.216 46.324 45.100 0.014 0.000 0.769 420 G HN 0.463 nan 8.290 nan 0.000 0.547 421 F N 1.230 121.195 119.950 0.026 0.000 2.069 421 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 421 F C 2.751 178.539 175.800 -0.020 0.000 1.113 421 F CA 2.322 60.331 58.000 0.014 0.000 1.214 421 F CB -0.478 38.542 39.000 0.033 0.000 0.978 421 F HN 0.282 nan 8.300 nan 0.000 0.474 422 Q N -0.331 119.454 119.800 -0.024 0.000 2.084 422 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 422 Q C 2.260 178.136 176.000 -0.208 0.000 0.978 422 Q CA 1.976 57.690 55.803 -0.149 0.000 0.844 422 Q CB -0.207 28.619 28.738 0.147 0.000 0.898 422 Q HN 0.438 nan 8.270 nan 0.000 0.426 423 S N 0.195 115.764 115.700 -0.219 0.000 2.402 423 S HA -0.094 4.376 4.470 -0.001 0.000 0.229 423 S C 1.881 176.356 174.600 -0.208 0.000 1.021 423 S CA 0.826 58.849 58.200 -0.294 0.000 0.974 423 S CB -0.199 62.489 63.200 -0.853 0.000 0.800 423 S HN 0.555 nan 8.310 nan 0.000 0.484 424 A N 1.417 124.132 122.820 -0.174 0.000 1.930 424 A HA 0.039 4.358 4.320 -0.001 0.000 0.217 424 A C 2.063 179.459 177.584 -0.313 0.000 1.175 424 A CA 0.994 52.981 52.037 -0.082 0.000 0.627 424 A CB -0.631 18.364 19.000 -0.007 0.000 0.815 424 A HN 0.449 nan 8.150 nan 0.000 0.443 425 L N -0.763 120.219 121.223 -0.401 0.000 2.083 425 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 425 L C 3.080 179.724 176.870 -0.377 0.000 1.083 425 L CA 1.015 55.599 54.840 -0.428 0.000 0.752 425 L CB -0.516 41.250 42.059 -0.489 0.000 0.899 425 L HN 0.431 nan 8.230 nan 0.000 0.433 426 A N 0.008 122.603 122.820 -0.374 0.000 1.933 426 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 426 A C 2.525 179.929 177.584 -0.300 0.000 1.175 426 A CA 1.746 53.579 52.037 -0.339 0.000 0.628 426 A CB -0.655 18.192 19.000 -0.255 0.000 0.814 426 A HN 0.403 nan 8.150 nan 0.000 0.444 427 A N -0.218 122.263 122.820 -0.565 0.000 1.898 427 A HA -0.002 4.318 4.320 -0.001 0.000 0.216 427 A C 2.153 179.363 177.584 -0.624 0.000 1.181 427 A CA 1.397 52.815 52.037 -1.033 0.000 0.620 427 A CB -0.605 17.435 19.000 -1.601 0.000 0.819 427 A HN 0.464 nan 8.150 nan 0.000 0.442 428 L N -0.401 120.487 121.223 -0.558 0.000 2.042 428 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 428 L C 2.519 179.163 176.870 -0.377 0.000 1.076 428 L CA 1.138 55.631 54.840 -0.578 0.000 0.749 428 L CB -0.619 40.992 42.059 -0.746 0.000 0.893 428 L HN 0.255 nan 8.230 nan 0.000 0.432 429 V N 0.054 119.823 119.914 -0.240 0.000 2.307 429 V HA -0.268 3.852 4.120 -0.001 0.000 0.245 429 V C 2.769 178.820 176.094 -0.070 0.000 1.045 429 V CA 1.762 64.015 62.300 -0.078 0.000 1.024 429 V CB -0.903 30.882 31.823 -0.063 0.000 0.651 429 V HN 0.479 nan 8.190 nan 0.000 0.449 430 A N -0.229 122.537 122.820 -0.090 0.000 1.940 430 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 430 A C 2.104 179.656 177.584 -0.053 0.000 1.176 430 A CA 1.665 53.700 52.037 -0.004 0.000 0.631 430 A CB -0.545 18.538 19.000 0.138 0.000 0.814 430 A HN 0.541 nan 8.150 nan 0.000 0.446 431 L N -1.189 119.906 121.223 -0.213 0.000 2.610 431 L HA 0.154 4.494 4.340 -0.001 0.000 0.232 431 L C 1.620 178.403 176.870 -0.144 0.000 1.149 431 L CA 0.496 55.153 54.840 -0.306 0.000 0.872 431 L CB -0.320 41.256 42.059 -0.804 0.000 0.992 431 L HN 0.586 nan 8.230 nan 0.000 0.447 432 G N -1.044 107.737 108.800 -0.031 0.000 2.147 432 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.244 432 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.244 432 G C 0.170 175.259 174.900 0.315 0.000 1.005 432 G CA -0.238 44.938 45.100 0.127 0.000 0.713 432 G HN 0.348 nan 8.290 nan 0.000 0.515 433 Y N 0.000 120.336 120.300 0.061 0.000 2.660 433 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 433 Y CA 0.000 58.176 58.100 0.127 0.000 1.940 433 Y CB 0.000 38.471 38.460 0.019 0.000 1.050 433 Y HN 0.000 nan 8.280 nan 0.000 0.758