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 1eth_1_A DATA FIRST_RESID 1 DATA SEQUENCE SEVcFPRLGc FSDDAPWAGI VQRPLKILPW SPKDVDTRFL LYTNQNQNNY DATA SEQUENCE QELVADPSTI TNSNFRMDRK TRFIIHGFID KGEEDWLSNI cKNLFKVESV DATA SEQUENCE NcICVDWKGG SRTGYTQASQ NIRIVGAEVA YFVEVLKSSL GYSPSNVHVI DATA SEQUENCE GHSLGSHAAG EAGRRTNGTI ERITGLDPAE PCFQGTPELV RLDPSDAKFV DATA SEQUENCE DVIHTDAAPI IPNLGFGMSQ TVGHLDFFPN GGKQMPGcQK NILSQIVDID DATA SEQUENCE GIWEGTRDFV AcNHLRSYKY YADSILNPDG FAGFPcDSYN VFTANKcFPc DATA SEQUENCE PSEGcPQMGH YADRFPGKTN GVSQVFYLNT GDASNFARWR YKVSVTLSGK DATA SEQUENCE KVTGHILVSL FGNEGNSRQY EIYKGTLQPD NTHSDEFDSD VEVGDLQKVK DATA SEQUENCE FIWYNVINPT LPRVGASKIT VERNDGKVYD FcSQETVREE VLLTLNPc 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.594 174.600 -0.011 0.000 1.055 1 S CA 0.000 58.200 58.200 0.001 0.000 1.107 1 S CB 0.000 63.206 63.200 0.011 0.000 0.593 2 E N 0.610 120.794 120.200 -0.028 0.000 2.378 2 E HA 0.376 nan 4.350 nan 0.000 0.283 2 E C -2.056 174.491 176.600 -0.088 0.000 0.979 2 E CA -0.474 55.895 56.400 -0.052 0.000 0.795 2 E CB 2.459 32.120 29.700 -0.066 0.000 1.221 2 E HN -0.175 8.167 8.360 -0.030 0.000 0.428 3 V N -1.385 118.455 119.914 -0.123 0.000 2.960 3 V HA 0.654 nan 4.120 nan 0.000 0.315 3 V C -2.107 173.739 176.094 -0.414 0.000 1.087 3 V CA -2.226 59.875 62.300 -0.332 0.000 0.982 3 V CB 3.537 35.078 31.823 -0.471 0.000 1.039 3 V HN 0.043 8.203 8.190 -0.050 0.000 0.437 4 c N 0.446 118.680 118.600 -0.610 0.000 2.609 4 c HA 0.770 nan 4.570 nan 0.000 0.313 4 c C -1.422 172.353 174.090 -0.524 0.000 1.175 4 c CA -1.620 54.471 56.329 -0.397 0.000 1.434 4 c CB 2.159 44.563 42.510 -0.176 0.000 2.005 4 c HN 0.116 7.964 8.230 -0.636 0.000 0.471 5 F N 1.343 121.338 119.950 0.076 0.000 2.563 5 F HA 0.481 nan 4.527 nan 0.000 0.316 5 F C -1.832 173.970 175.800 0.002 0.000 1.076 5 F CA -2.821 55.189 58.000 0.018 0.000 0.921 5 F CB 0.652 39.638 39.000 -0.023 0.000 1.209 5 F HN 0.443 8.865 8.300 0.204 0.000 0.462 6 P HA -0.391 nan 4.420 nan 0.000 0.222 6 P C 1.878 179.185 177.300 0.012 0.000 0.821 6 P CA 2.755 65.898 63.100 0.071 0.000 1.062 6 P CB 0.233 31.972 31.700 0.066 0.000 0.720 7 R N -4.505 115.974 120.500 -0.035 0.000 2.153 7 R HA -0.046 nan 4.340 nan 0.000 0.218 7 R C 0.983 177.107 176.300 -0.293 0.000 1.072 7 R CA 1.434 57.386 56.100 -0.247 0.000 0.990 7 R CB -0.221 29.897 30.300 -0.304 0.000 0.889 7 R HN 0.336 8.611 8.270 0.008 0.000 0.452 8 L N -2.616 118.585 121.223 -0.036 0.000 2.667 8 L HA 0.155 nan 4.340 nan 0.000 0.232 8 L C -0.340 176.696 176.870 0.276 0.000 1.138 8 L CA -0.758 54.141 54.840 0.098 0.000 0.921 8 L CB 0.442 42.598 42.059 0.161 0.000 1.180 8 L HN -0.722 7.492 8.230 0.071 0.058 0.487 9 G N -1.890 106.999 108.800 0.148 0.000 2.569 9 G HA2 -0.429 nan 3.960 nan 0.000 0.259 9 G HA3 -0.429 nan 3.960 nan 0.000 0.259 9 G C -1.552 173.430 174.900 0.137 0.000 1.263 9 G CA -0.100 45.039 45.100 0.066 0.000 0.928 9 G HN -0.687 7.596 8.290 0.080 0.055 0.572 10 c N 1.605 120.112 118.600 -0.154 0.000 2.349 10 c HA 0.793 nan 4.570 nan 0.000 0.361 10 c C -0.323 173.391 174.090 -0.627 0.000 1.189 10 c CA -0.696 55.522 56.329 -0.185 0.000 2.155 10 c CB 2.229 44.630 42.510 -0.182 0.000 2.336 10 c HN 0.061 8.131 8.230 -0.266 0.000 0.540 11 F N 1.582 121.429 119.950 -0.172 0.000 3.034 11 F HA 0.208 nan 4.527 nan 0.000 0.371 11 F C -1.108 174.569 175.800 -0.206 0.000 1.233 11 F CA -0.801 57.077 58.000 -0.204 0.000 1.134 11 F CB 2.489 41.437 39.000 -0.086 0.000 1.495 11 F HN 0.928 9.182 8.300 -0.076 0.000 0.563 12 S N 4.674 120.231 115.700 -0.237 0.000 2.548 12 S HA 0.120 nan 4.470 nan 0.000 0.277 12 S C 0.143 174.704 174.600 -0.066 0.000 1.315 12 S CA -0.113 58.022 58.200 -0.108 0.000 1.050 12 S CB 0.709 63.879 63.200 -0.050 0.000 0.918 12 S HN 0.451 8.516 8.310 -0.409 0.000 0.497 13 D N 2.604 123.012 120.400 0.014 0.000 2.881 13 D HA 0.061 nan 4.640 nan 0.000 0.240 13 D C -1.690 174.675 176.300 0.107 0.000 1.249 13 D CA -1.848 52.190 54.000 0.063 0.000 0.839 13 D CB -0.801 40.028 40.800 0.048 0.000 1.042 13 D HN -0.076 8.192 8.370 0.009 0.107 0.475 14 D N -0.040 120.460 120.400 0.166 0.000 2.217 14 D HA 0.105 nan 4.640 nan 0.000 0.248 14 D C -0.440 175.972 176.300 0.187 0.000 1.008 14 D CA -0.514 53.575 54.000 0.149 0.000 0.914 14 D CB 2.634 43.507 40.800 0.123 0.000 1.182 14 D HN -0.931 7.486 8.370 0.216 0.083 0.451 15 A N 0.403 123.260 122.820 0.063 0.000 2.587 15 A HA -0.120 nan 4.320 nan 0.000 0.233 15 A C -1.326 176.192 177.584 -0.109 0.000 1.049 15 A CA -0.750 51.269 52.037 -0.030 0.000 0.754 15 A CB -0.328 18.645 19.000 -0.044 0.000 0.977 15 A HN 0.131 8.308 8.150 0.045 0.000 0.509 16 P HA 0.188 nan 4.420 nan 0.000 0.254 16 P C -1.235 175.841 177.300 -0.373 0.000 1.494 16 P CA -0.273 62.632 63.100 -0.324 0.000 0.961 16 P CB 0.286 31.763 31.700 -0.372 0.000 1.493 17 W N 0.351 121.603 121.300 -0.079 0.000 2.476 17 W HA -0.252 nan 4.660 nan 0.000 0.281 17 W C -0.819 175.637 176.519 -0.105 0.000 1.230 17 W CA 1.164 58.453 57.345 -0.094 0.000 1.287 17 W CB -0.078 29.346 29.460 -0.061 0.000 1.108 17 W HN -0.135 7.786 8.180 -0.163 0.162 0.567 18 A N -6.351 116.550 122.820 0.134 0.000 2.529 18 A HA 0.347 nan 4.320 nan 0.000 0.296 18 A C -0.383 177.208 177.584 0.011 0.000 1.205 18 A CA -0.947 51.112 52.037 0.038 0.000 0.671 18 A CB 1.839 20.866 19.000 0.045 0.000 1.301 18 A HN -0.896 7.231 8.150 0.153 0.115 0.450 19 G N -0.351 108.447 108.800 -0.003 0.000 2.990 19 G HA2 -0.354 nan 3.960 nan 0.000 0.225 19 G HA3 -0.354 nan 3.960 nan 0.000 0.225 19 G C 0.189 175.073 174.900 -0.026 0.000 1.304 19 G CA 0.674 45.769 45.100 -0.009 0.000 0.816 19 G HN 0.389 8.576 8.290 -0.007 0.099 0.528 20 I N -2.273 118.270 120.570 -0.044 0.000 2.948 20 I HA -0.175 nan 4.170 nan 0.000 0.290 20 I C 0.478 176.565 176.117 -0.051 0.000 1.226 20 I CA 0.242 61.509 61.300 -0.056 0.000 1.413 20 I CB 0.809 38.757 38.000 -0.087 0.000 1.352 20 I HN -0.527 7.561 8.210 -0.047 0.094 0.597 21 V N 2.071 121.959 119.914 -0.042 0.000 2.809 21 V HA -0.156 nan 4.120 nan 0.000 0.256 21 V C 1.190 177.267 176.094 -0.029 0.000 1.080 21 V CA 2.313 64.596 62.300 -0.029 0.000 1.102 21 V CB -0.978 30.833 31.823 -0.020 0.000 0.705 21 V HN 0.324 8.488 8.190 -0.044 0.000 0.475 22 Q N -0.397 119.377 119.800 -0.043 0.000 2.296 22 Q HA 0.086 nan 4.340 nan 0.000 0.273 22 Q C -0.777 175.180 176.000 -0.071 0.000 0.900 22 Q CA -0.387 55.392 55.803 -0.041 0.000 0.993 22 Q CB -1.402 27.314 28.738 -0.036 0.000 1.132 22 Q HN 0.232 8.428 8.270 -0.054 0.041 0.439 23 R N -1.939 118.519 120.500 -0.070 0.000 2.533 23 R HA 0.098 nan 4.340 nan 0.000 0.088 23 R C -2.380 173.883 176.300 -0.062 0.000 0.635 23 R CA -0.157 55.882 56.100 -0.101 0.000 0.782 23 R CB -0.004 30.204 30.300 -0.153 0.000 0.956 23 R HN -0.727 7.425 8.270 -0.048 0.090 0.626 24 P HA -0.142 nan 4.420 nan 0.000 0.213 24 P C -0.375 176.916 177.300 -0.014 0.000 1.170 24 P CA 1.668 64.755 63.100 -0.021 0.000 0.893 24 P CB 0.137 31.831 31.700 -0.009 0.000 0.784 25 L N -1.752 119.464 121.223 -0.012 0.000 2.485 25 L HA -0.140 nan 4.340 nan 0.000 0.275 25 L C 0.089 176.959 176.870 0.001 0.000 1.207 25 L CA 0.676 55.515 54.840 -0.002 0.000 0.855 25 L CB -0.063 41.996 42.059 -0.001 0.000 1.114 25 L HN -0.287 7.933 8.230 -0.018 0.000 0.485 26 K N 3.368 123.776 120.400 0.013 0.000 2.264 26 K HA 0.303 nan 4.320 nan 0.000 0.277 26 K C -1.452 175.164 176.600 0.027 0.000 1.067 26 K CA -0.614 55.686 56.287 0.023 0.000 0.900 26 K CB -0.274 32.241 32.500 0.025 0.000 1.124 26 K HN 0.085 8.344 8.250 0.015 0.000 0.469 27 I N -1.614 118.972 120.570 0.027 0.000 2.802 27 I HA 0.388 nan 4.170 nan 0.000 0.298 27 I C -2.470 173.670 176.117 0.039 0.000 1.176 27 I CA -1.460 59.860 61.300 0.034 0.000 1.025 27 I CB 2.900 40.909 38.000 0.015 0.000 1.243 27 I HN 0.059 8.284 8.210 0.025 0.000 0.424 28 L N 1.112 122.377 121.223 0.070 0.000 2.352 28 L HA 0.468 nan 4.340 nan 0.000 0.269 28 L C -1.570 175.351 176.870 0.084 0.000 1.034 28 L CA -3.363 51.528 54.840 0.086 0.000 0.806 28 L CB -0.218 41.916 42.059 0.124 0.000 1.244 28 L HN 0.219 8.506 8.230 0.095 0.000 0.447 29 P HA -0.079 nan 4.420 nan 0.000 0.270 29 P C -1.886 175.530 177.300 0.194 0.000 1.216 29 P CA -0.267 62.825 63.100 -0.014 0.000 0.788 29 P CB 0.595 32.200 31.700 -0.158 0.000 0.883 30 W N -0.268 120.953 121.300 -0.132 0.000 2.298 30 W HA 0.224 nan 4.660 nan 0.000 0.358 30 W C -0.504 175.819 176.519 -0.328 0.000 1.241 30 W CA -1.857 55.418 57.345 -0.118 0.000 1.385 30 W CB 0.501 29.905 29.460 -0.093 0.000 1.225 30 W HN 0.150 8.335 8.180 0.009 0.000 0.654 31 S N 1.425 117.091 115.700 -0.056 0.000 2.546 31 S HA -0.006 nan 4.470 nan 0.000 0.290 31 S C -0.638 173.698 174.600 -0.441 0.000 1.290 31 S CA -1.337 56.626 58.200 -0.396 0.000 1.069 31 S CB 0.427 63.558 63.200 -0.116 0.000 0.846 31 S HN -0.015 8.298 8.310 0.006 0.000 0.495 32 P HA -0.144 nan 4.420 nan 0.000 0.303 32 P C -1.291 175.915 177.300 -0.157 0.000 1.438 32 P CA 1.186 64.052 63.100 -0.390 0.000 0.737 32 P CB -0.729 30.726 31.700 -0.408 0.000 1.402 33 K N -5.025 115.308 120.400 -0.111 0.000 2.491 33 K HA 0.047 nan 4.320 nan 0.000 0.211 33 K C -0.390 176.208 176.600 -0.003 0.000 1.210 33 K CA 0.492 56.754 56.287 -0.042 0.000 1.003 33 K CB 1.489 33.959 32.500 -0.050 0.000 1.009 33 K HN -0.093 7.961 8.250 -0.132 0.117 0.577 34 D N -0.829 119.593 120.400 0.036 0.000 2.856 34 D HA 0.075 nan 4.640 nan 0.000 0.283 34 D C 1.275 177.748 176.300 0.288 0.000 1.051 34 D CA 1.453 55.527 54.000 0.123 0.000 0.965 34 D CB 0.897 41.736 40.800 0.064 0.000 1.201 34 D HN -0.246 8.143 8.370 0.031 0.000 0.474 35 V N -1.563 118.542 119.914 0.318 0.000 2.242 35 V HA -0.328 nan 4.120 nan 0.000 0.257 35 V C 0.814 177.026 176.094 0.198 0.000 1.073 35 V CA 3.142 65.589 62.300 0.244 0.000 1.058 35 V CB -0.090 31.785 31.823 0.086 0.000 0.664 35 V HN -0.434 7.965 8.190 0.348 0.000 0.451 36 D N -3.394 117.076 120.400 0.117 0.000 2.803 36 D HA -0.356 nan 4.640 nan 0.000 0.233 36 D C -1.223 175.140 176.300 0.105 0.000 1.182 36 D CA 0.802 54.857 54.000 0.091 0.000 0.726 36 D CB -0.667 40.180 40.800 0.079 0.000 0.987 36 D HN 0.276 8.758 8.370 0.083 -0.063 0.412 37 T N 0.186 114.799 114.554 0.098 0.000 2.778 37 T HA -0.201 nan 4.350 nan 0.000 0.282 37 T C -0.201 174.517 174.700 0.029 0.000 0.983 37 T CA 1.690 63.819 62.100 0.048 0.000 1.193 37 T CB -0.347 68.527 68.868 0.010 0.000 0.938 37 T HN 0.178 8.466 8.240 0.080 0.000 0.523 38 R N 5.564 126.033 120.500 -0.051 0.000 2.664 38 R HA 0.505 nan 4.340 nan 0.000 0.286 38 R C -0.969 175.220 176.300 -0.186 0.000 0.967 38 R CA -2.030 54.071 56.100 0.002 0.000 0.933 38 R CB 3.262 33.566 30.300 0.007 0.000 1.146 38 R HN 0.609 8.721 8.270 -0.052 0.127 0.468 39 F N 1.260 121.260 119.950 0.085 0.000 2.311 39 F HA 0.291 nan 4.527 nan 0.000 0.371 39 F C -1.043 174.720 175.800 -0.061 0.000 1.083 39 F CA -1.241 56.789 58.000 0.050 0.000 1.113 39 F CB 0.445 39.561 39.000 0.194 0.000 1.349 39 F HN 0.131 8.725 8.300 0.490 0.000 0.470 40 L N 5.053 126.200 121.223 -0.128 0.000 2.312 40 L HA 0.203 nan 4.340 nan 0.000 0.287 40 L C -1.515 175.175 176.870 -0.299 0.000 1.091 40 L CA -1.082 53.505 54.840 -0.422 0.000 0.846 40 L CB -1.244 40.300 42.059 -0.858 0.000 1.219 40 L HN 0.646 8.781 8.230 -0.157 0.000 0.439 41 L N 5.829 126.967 121.223 -0.141 0.000 2.380 41 L HA 0.137 nan 4.340 nan 0.000 0.273 41 L C -2.047 174.760 176.870 -0.105 0.000 1.138 41 L CA -0.147 54.669 54.840 -0.039 0.000 0.832 41 L CB 1.224 43.334 42.059 0.086 0.000 1.124 41 L HN -0.284 7.806 8.230 -0.063 0.102 0.454 42 Y N 3.545 123.918 120.300 0.122 0.000 2.457 42 Y HA 0.325 nan 4.550 nan 0.000 0.343 42 Y C -1.472 174.574 175.900 0.244 0.000 0.994 42 Y CA -1.086 57.135 58.100 0.201 0.000 1.031 42 Y CB 4.143 42.770 38.460 0.277 0.000 1.246 42 Y HN -0.398 8.042 8.280 0.267 0.000 0.449 43 T N 1.661 116.301 114.554 0.143 0.000 2.838 43 T HA 0.432 nan 4.350 nan 0.000 0.292 43 T C 0.683 174.741 174.700 -1.069 0.000 1.113 43 T CA -1.459 60.471 62.100 -0.283 0.000 1.008 43 T CB 3.189 71.966 68.868 -0.152 0.000 1.259 43 T HN 0.073 8.284 8.240 0.123 0.103 0.520 44 N N 3.251 121.269 118.700 -1.136 0.000 2.104 44 N HA -0.362 nan 4.740 nan 0.000 0.190 44 N C 1.756 177.001 175.510 -0.442 0.000 1.024 44 N CA 3.978 56.505 53.050 -0.872 0.000 0.853 44 N CB -0.032 38.212 38.487 -0.405 0.000 1.008 44 N HN 0.586 8.505 8.380 -0.769 0.000 0.424 45 Q N -3.496 116.127 119.800 -0.295 0.000 2.500 45 Q HA -0.134 nan 4.340 nan 0.000 0.213 45 Q C -0.890 175.033 176.000 -0.128 0.000 0.974 45 Q CA 1.759 57.465 55.803 -0.161 0.000 0.918 45 Q CB -0.315 28.358 28.738 -0.107 0.000 0.980 45 Q HN 0.383 8.478 8.270 -0.295 -0.002 0.505 46 N N -4.698 113.904 118.700 -0.164 0.000 2.926 46 N HA 0.132 nan 4.740 nan 0.000 0.201 46 N C -1.379 174.158 175.510 0.046 0.000 1.419 46 N CA -0.419 52.605 53.050 -0.042 0.000 0.838 46 N CB 0.595 39.088 38.487 0.009 0.000 1.534 46 N HN -0.303 7.668 8.380 -0.307 0.225 0.569 47 Q N 2.391 122.178 119.800 -0.022 0.000 2.697 47 Q HA -0.114 nan 4.340 nan 0.000 0.196 47 Q C 0.338 176.451 176.000 0.187 0.000 1.121 47 Q CA 1.014 56.907 55.803 0.150 0.000 1.151 47 Q CB 0.345 29.156 28.738 0.121 0.000 1.250 47 Q HN -0.121 8.053 8.270 -0.161 0.000 0.658 48 N N -3.209 115.594 118.700 0.172 0.000 2.805 48 N HA -0.413 nan 4.740 nan 0.000 0.216 48 N C -0.877 174.757 175.510 0.206 0.000 0.930 48 N CA 2.514 55.653 53.050 0.147 0.000 1.376 48 N CB -0.727 37.807 38.487 0.079 0.000 0.939 48 N HN 0.545 8.982 8.380 0.096 0.000 0.583 49 N N -1.305 117.538 118.700 0.239 0.000 2.425 49 N HA 0.207 nan 4.740 nan 0.000 0.289 49 N C -2.151 173.403 175.510 0.073 0.000 1.074 49 N CA -0.457 52.658 53.050 0.107 0.000 0.905 49 N CB 2.544 41.019 38.487 -0.020 0.000 1.586 49 N HN -0.057 8.377 8.380 0.237 0.088 0.490 50 Y N -1.337 118.888 120.300 -0.126 0.000 2.301 50 Y HA 0.289 nan 4.550 nan 0.000 0.325 50 Y C -1.135 174.642 175.900 -0.204 0.000 1.203 50 Y CA -1.289 56.562 58.100 -0.416 0.000 1.255 50 Y CB 0.832 38.773 38.460 -0.865 0.000 1.232 50 Y HN 0.109 8.125 8.280 -0.440 0.000 0.501 51 Q N 0.893 120.740 119.800 0.078 0.000 2.222 51 Q HA 0.058 nan 4.340 nan 0.000 0.211 51 Q C -1.318 174.792 176.000 0.182 0.000 1.013 51 Q CA -0.708 55.158 55.803 0.104 0.000 0.993 51 Q CB 1.637 30.418 28.738 0.072 0.000 1.151 51 Q HN 0.481 8.760 8.270 0.015 0.000 0.544 52 E N -0.868 119.422 120.200 0.151 0.000 2.287 52 E HA 0.431 nan 4.350 nan 0.000 0.274 52 E C -1.587 175.104 176.600 0.153 0.000 0.896 52 E CA -0.514 55.983 56.400 0.162 0.000 0.788 52 E CB 1.671 31.481 29.700 0.183 0.000 1.244 52 E HN 0.171 8.599 8.360 0.115 0.000 0.408 53 L N 7.191 128.549 121.223 0.226 0.000 2.342 53 L HA 0.405 nan 4.340 nan 0.000 0.271 53 L C -1.704 175.277 176.870 0.185 0.000 1.008 53 L CA -1.235 53.714 54.840 0.180 0.000 0.818 53 L CB 2.984 45.201 42.059 0.263 0.000 1.296 53 L HN 0.491 8.901 8.230 0.299 0.000 0.427 54 V N -4.049 115.826 119.914 -0.065 0.000 3.103 54 V HA 0.284 nan 4.120 nan 0.000 0.318 54 V C 0.729 176.424 176.094 -0.666 0.000 1.114 54 V CA -2.720 59.467 62.300 -0.189 0.000 1.020 54 V CB 2.337 34.114 31.823 -0.076 0.000 1.085 54 V HN -0.093 8.025 8.190 -0.120 0.000 0.446 55 A N 0.241 122.573 122.820 -0.814 0.000 2.272 55 A HA -0.272 nan 4.320 nan 0.000 0.213 55 A C -0.648 176.507 177.584 -0.715 0.000 1.183 55 A CA 1.492 52.867 52.037 -1.102 0.000 0.719 55 A CB -0.573 17.856 19.000 -0.951 0.000 0.771 55 A HN 0.381 8.221 8.150 -0.517 0.000 0.484 56 D N 0.045 120.161 120.400 -0.473 0.000 2.374 56 D HA 0.274 nan 4.640 nan 0.000 0.240 56 D C -1.350 174.777 176.300 -0.288 0.000 1.229 56 D CA -3.238 50.582 54.000 -0.300 0.000 0.895 56 D CB 0.486 41.176 40.800 -0.184 0.000 1.046 56 D HN -0.608 7.381 8.370 -0.435 0.119 0.498 57 P HA -0.321 nan 4.420 nan 0.000 0.222 57 P C 1.247 178.443 177.300 -0.174 0.000 1.155 57 P CA 2.752 65.713 63.100 -0.232 0.000 0.890 57 P CB -0.020 31.578 31.700 -0.171 0.000 0.790 58 S N -4.061 111.559 115.700 -0.132 0.000 2.353 58 S HA -0.326 nan 4.470 nan 0.000 0.222 58 S C 2.185 176.727 174.600 -0.097 0.000 1.035 58 S CA 3.584 61.728 58.200 -0.094 0.000 1.025 58 S CB -0.591 62.566 63.200 -0.071 0.000 0.902 58 S HN -0.008 8.211 8.310 -0.130 0.013 0.440 59 T N 2.630 117.115 114.554 -0.116 0.000 2.665 59 T HA -0.264 nan 4.350 nan 0.000 0.268 59 T C 2.214 176.851 174.700 -0.104 0.000 1.035 59 T CA 3.840 65.880 62.100 -0.100 0.000 1.151 59 T CB -0.401 68.397 68.868 -0.117 0.000 0.862 59 T HN 0.039 8.451 8.240 -0.131 -0.250 0.438 60 I N -4.410 116.050 120.570 -0.183 0.000 3.251 60 I HA 0.061 nan 4.170 nan 0.000 0.277 60 I C 1.161 177.188 176.117 -0.149 0.000 1.268 60 I CA 2.159 63.329 61.300 -0.216 0.000 1.449 60 I CB 0.323 38.043 38.000 -0.467 0.000 1.083 60 I HN -0.697 7.293 8.210 -0.230 0.082 0.464 61 T N 1.622 116.109 114.554 -0.113 0.000 3.060 61 T HA 0.029 nan 4.350 nan 0.000 0.249 61 T C 0.666 175.354 174.700 -0.021 0.000 1.079 61 T CA 2.022 64.089 62.100 -0.055 0.000 1.013 61 T CB -0.250 68.582 68.868 -0.061 0.000 0.975 61 T HN 0.271 8.282 8.240 -0.128 0.152 0.518 62 N N 1.212 119.898 118.700 -0.024 0.000 2.328 62 N HA 0.195 nan 4.740 nan 0.000 0.247 62 N C -1.759 173.756 175.510 0.009 0.000 1.165 62 N CA -0.027 53.019 53.050 -0.008 0.000 0.873 62 N CB 1.006 39.483 38.487 -0.017 0.000 1.125 62 N HN -0.078 8.114 8.380 -0.043 0.162 0.513 63 S N -0.799 114.919 115.700 0.030 0.000 2.671 63 S HA 0.190 nan 4.470 nan 0.000 0.299 63 S C -0.087 174.562 174.600 0.082 0.000 1.116 63 S CA -1.645 56.589 58.200 0.058 0.000 0.912 63 S CB 2.496 65.744 63.200 0.079 0.000 1.130 63 S HN -0.801 7.466 8.310 0.036 0.065 0.501 64 N N -1.399 117.342 118.700 0.069 0.000 2.635 64 N HA -0.018 nan 4.740 nan 0.000 0.191 64 N C 0.053 175.595 175.510 0.053 0.000 1.155 64 N CA 1.076 54.151 53.050 0.042 0.000 0.927 64 N CB 0.158 38.653 38.487 0.013 0.000 0.976 64 N HN 0.265 8.988 8.380 0.057 -0.308 0.448 65 F N 0.838 120.767 119.950 -0.035 0.000 2.607 65 F HA -0.265 nan 4.527 nan 0.000 0.374 65 F C -0.696 175.059 175.800 -0.075 0.000 1.104 65 F CA 1.529 59.491 58.000 -0.062 0.000 1.296 65 F CB 0.578 39.534 39.000 -0.073 0.000 1.085 65 F HN -0.950 7.408 8.300 0.243 0.088 0.584 66 R N 7.913 128.176 120.500 -0.394 0.000 2.483 66 R HA 0.382 nan 4.340 nan 0.000 0.303 66 R C -0.285 175.879 176.300 -0.227 0.000 0.987 66 R CA -1.094 54.918 56.100 -0.146 0.000 0.881 66 R CB 2.481 32.710 30.300 -0.117 0.000 1.177 66 R HN 0.267 8.258 8.270 -0.999 -0.320 0.451 67 M N 1.793 121.426 119.600 0.056 0.000 2.568 67 M HA -0.007 nan 4.480 nan 0.000 0.226 67 M C -0.669 175.819 176.300 0.314 0.000 1.148 67 M CA 1.479 56.874 55.300 0.159 0.000 1.007 67 M CB 0.166 32.922 32.600 0.261 0.000 1.651 67 M HN 0.377 8.759 8.290 0.153 0.000 0.488 68 D N -3.767 116.728 120.400 0.159 0.000 2.340 68 D HA -0.026 nan 4.640 nan 0.000 0.217 68 D C -0.045 176.325 176.300 0.115 0.000 1.081 68 D CA -0.619 53.464 54.000 0.138 0.000 0.842 68 D CB -0.574 40.276 40.800 0.084 0.000 0.934 68 D HN 0.059 8.413 8.370 0.087 0.068 0.511 69 R N -0.532 120.031 120.500 0.106 0.000 2.942 69 R HA 0.197 nan 4.340 nan 0.000 0.212 69 R C -1.461 174.952 176.300 0.188 0.000 1.562 69 R CA -0.917 55.229 56.100 0.077 0.000 0.941 69 R CB 2.483 32.760 30.300 -0.037 0.000 2.365 69 R HN -0.545 7.596 8.270 0.088 0.182 0.524 70 K N -0.611 119.872 120.400 0.137 0.000 2.527 70 K HA 0.443 nan 4.320 nan 0.000 0.260 70 K C -1.968 174.712 176.600 0.134 0.000 0.937 70 K CA -0.660 55.750 56.287 0.205 0.000 0.826 70 K CB 3.073 35.655 32.500 0.137 0.000 1.359 70 K HN -0.169 8.105 8.250 0.041 0.000 0.434 71 T N 5.719 120.392 114.554 0.198 0.000 2.841 71 T HA 0.805 nan 4.350 nan 0.000 0.283 71 T C -1.527 173.187 174.700 0.024 0.000 1.000 71 T CA -0.634 61.497 62.100 0.051 0.000 0.977 71 T CB 2.031 70.996 68.868 0.161 0.000 0.979 71 T HN 0.593 8.987 8.240 0.257 0.000 0.446 72 R N 2.212 122.623 120.500 -0.148 0.000 2.532 72 R HA 0.821 nan 4.340 nan 0.000 0.297 72 R C -1.614 174.525 176.300 -0.269 0.000 0.984 72 R CA -1.519 54.486 56.100 -0.157 0.000 0.884 72 R CB 3.637 33.830 30.300 -0.178 0.000 1.182 72 R HN 1.008 9.135 8.270 -0.239 0.000 0.442 73 F N 3.075 122.956 119.950 -0.114 0.000 2.422 73 F HA 0.694 nan 4.527 nan 0.000 0.333 73 F C -0.869 174.848 175.800 -0.137 0.000 1.095 73 F CA -0.927 57.020 58.000 -0.087 0.000 1.038 73 F CB 2.965 41.938 39.000 -0.044 0.000 1.156 73 F HN 0.818 9.202 8.300 0.140 0.000 0.483 74 I N 2.615 123.209 120.570 0.041 0.000 2.420 74 I HA 0.408 nan 4.170 nan 0.000 0.282 74 I C -1.468 174.663 176.117 0.024 0.000 1.019 74 I CA -0.684 60.605 61.300 -0.018 0.000 1.130 74 I CB 1.315 39.240 38.000 -0.125 0.000 1.262 74 I HN 0.803 9.037 8.210 0.041 0.000 0.454 75 I N 7.363 127.996 120.570 0.104 0.000 2.321 75 I HA 0.326 nan 4.170 nan 0.000 0.291 75 I C -0.709 175.589 176.117 0.301 0.000 0.998 75 I CA -1.069 60.325 61.300 0.158 0.000 1.227 75 I CB 0.692 38.737 38.000 0.074 0.000 1.368 75 I HN 0.700 8.974 8.210 0.108 0.000 0.466 76 H N 7.056 126.259 119.070 0.221 0.000 2.021 76 H HA 0.054 nan 4.556 nan 0.000 0.333 76 H C -0.175 175.455 175.328 0.502 0.000 1.934 76 H CA -0.191 56.078 56.048 0.368 0.000 1.383 76 H CB 0.644 30.410 29.762 0.006 0.000 1.670 76 H HN -0.132 8.378 8.280 0.383 0.000 0.533 77 G N -5.341 103.683 108.800 0.373 0.000 2.749 77 G HA2 -0.022 nan 3.960 nan 0.000 0.300 77 G HA3 -0.022 nan 3.960 nan 0.000 0.300 77 G C -2.175 172.865 174.900 0.234 0.000 1.352 77 G CA -1.929 43.404 45.100 0.388 0.000 0.789 77 G HN -0.227 8.388 8.290 0.543 0.000 0.509 78 F N 0.286 120.316 119.950 0.135 0.000 2.452 78 F HA -0.376 nan 4.527 nan 0.000 0.403 78 F C 0.582 176.365 175.800 -0.029 0.000 0.972 78 F CA 0.467 58.496 58.000 0.049 0.000 1.194 78 F CB 0.145 39.228 39.000 0.137 0.000 0.908 78 F HN 0.201 8.826 8.300 0.542 0.000 0.555 79 I N 2.879 123.142 120.570 -0.512 0.000 5.620 79 I HA -0.480 nan 4.170 nan 0.000 0.127 79 I C -1.506 174.470 176.117 -0.236 0.000 1.815 79 I CA 0.966 61.919 61.300 -0.579 0.000 2.038 79 I CB -1.943 35.540 38.000 -0.862 0.000 3.367 79 I HN 0.754 8.614 8.210 -0.399 0.110 0.169 80 D N -1.115 119.186 120.400 -0.165 0.000 2.559 80 D HA 0.329 nan 4.640 nan 0.000 0.250 80 D C -2.523 173.499 176.300 -0.465 0.000 1.135 80 D CA -0.949 52.982 54.000 -0.115 0.000 0.955 80 D CB 4.102 44.979 40.800 0.128 0.000 1.442 80 D HN -0.669 7.543 8.370 -0.200 0.037 0.471 81 K N -3.501 116.453 120.400 -0.743 0.000 2.469 81 K HA 0.382 nan 4.320 nan 0.000 0.254 81 K C 0.391 176.328 176.600 -1.106 0.000 0.939 81 K CA -1.624 54.005 56.287 -1.098 0.000 0.812 81 K CB 2.465 34.669 32.500 -0.495 0.000 1.301 81 K HN -0.113 7.847 8.250 -0.484 0.000 0.433 82 G N 1.078 109.289 108.800 -0.982 0.000 3.135 82 G HA2 -0.073 nan 3.960 nan 0.000 0.208 82 G HA3 -0.073 nan 3.960 nan 0.000 0.208 82 G C -0.649 173.989 174.900 -0.436 0.000 1.212 82 G CA 1.410 46.174 45.100 -0.560 0.000 0.928 82 G HN 0.540 8.671 8.290 -0.810 -0.327 0.500 83 E N -0.301 119.663 120.200 -0.392 0.000 2.228 83 E HA 0.062 nan 4.350 nan 0.000 0.197 83 E C -0.400 176.067 176.600 -0.221 0.000 0.909 83 E CA 0.480 56.747 56.400 -0.221 0.000 0.911 83 E CB 0.982 30.612 29.700 -0.117 0.000 0.887 83 E HN -0.217 7.756 8.360 -0.449 0.117 0.481 84 E N 0.619 120.669 120.200 -0.250 0.000 3.513 84 E HA -0.313 nan 4.350 nan 0.000 0.295 84 E C 0.718 177.175 176.600 -0.238 0.000 0.838 84 E CA 0.849 57.143 56.400 -0.177 0.000 0.995 84 E CB 0.081 29.651 29.700 -0.215 0.000 0.968 84 E HN -0.665 7.530 8.360 -0.276 0.000 0.532 85 D N 6.282 126.666 120.400 -0.027 0.000 2.182 85 D HA -0.264 nan 4.640 nan 0.000 0.201 85 D C 1.254 177.538 176.300 -0.027 0.000 0.986 85 D CA 3.364 57.358 54.000 -0.009 0.000 0.847 85 D CB -0.620 40.229 40.800 0.082 0.000 0.942 85 D HN 0.732 9.158 8.370 0.093 0.000 0.467 86 W N -2.047 119.144 121.300 -0.181 0.000 2.331 86 W HA -0.241 nan 4.660 nan 0.000 0.291 86 W C 0.967 177.307 176.519 -0.298 0.000 1.214 86 W CA 1.262 58.426 57.345 -0.303 0.000 1.228 86 W CB -0.921 28.056 29.460 -0.804 0.000 1.135 86 W HN -0.444 7.797 8.180 0.135 0.020 0.537 87 L N -1.586 119.255 121.223 -0.636 0.000 2.240 87 L HA -0.322 nan 4.340 nan 0.000 0.211 87 L C 2.164 178.830 176.870 -0.340 0.000 1.106 87 L CA 3.038 57.462 54.840 -0.693 0.000 0.793 87 L CB -0.200 41.281 42.059 -0.964 0.000 0.927 87 L HN 0.079 7.673 8.230 -0.842 0.131 0.446 88 S N 0.548 116.075 115.700 -0.288 0.000 2.388 88 S HA -0.233 nan 4.470 nan 0.000 0.223 88 S C 2.141 176.587 174.600 -0.255 0.000 1.034 88 S CA 3.289 61.282 58.200 -0.344 0.000 0.963 88 S CB -0.497 62.538 63.200 -0.275 0.000 0.827 88 S HN -0.091 7.920 8.310 -0.266 0.140 0.481 89 N N 3.962 122.593 118.700 -0.115 0.000 2.036 89 N HA -0.375 nan 4.740 nan 0.000 0.199 89 N C 2.166 177.621 175.510 -0.091 0.000 1.036 89 N CA 3.241 56.262 53.050 -0.048 0.000 0.870 89 N CB -0.713 37.808 38.487 0.056 0.000 1.055 89 N HN 0.169 8.501 8.380 -0.080 0.000 0.436 90 I N -0.751 119.784 120.570 -0.057 0.000 2.315 90 I HA -0.432 nan 4.170 nan 0.000 0.251 90 I C 1.761 177.728 176.117 -0.251 0.000 1.125 90 I CA 3.830 65.093 61.300 -0.062 0.000 1.392 90 I CB -0.384 37.630 38.000 0.022 0.000 1.065 90 I HN -0.539 7.665 8.210 -0.011 0.000 0.424 91 c N -0.838 117.529 118.600 -0.387 0.000 2.457 91 c HA -0.278 nan 4.570 nan 0.000 0.278 91 c C 2.206 175.723 174.090 -0.955 0.000 1.309 91 c CA 3.446 59.329 56.329 -0.743 0.000 1.735 91 c CB -1.699 40.409 42.510 -0.670 0.000 1.992 91 c HN -0.223 7.702 8.230 -0.330 0.107 0.493 92 K N 0.005 120.143 120.400 -0.437 0.000 1.973 92 K HA -0.355 nan 4.320 nan 0.000 0.212 92 K C 2.282 178.797 176.600 -0.141 0.000 1.047 92 K CA 2.659 58.846 56.287 -0.166 0.000 0.937 92 K CB -1.082 31.380 32.500 -0.064 0.000 0.721 92 K HN 0.178 8.117 8.250 -0.341 0.106 0.440 93 N N 0.323 118.946 118.700 -0.127 0.000 2.060 93 N HA -0.370 nan 4.740 nan 0.000 0.195 93 N C 2.363 177.787 175.510 -0.145 0.000 1.028 93 N CA 2.875 55.872 53.050 -0.088 0.000 0.861 93 N CB -0.053 38.393 38.487 -0.068 0.000 1.029 93 N HN -0.083 8.222 8.380 -0.125 0.000 0.428 94 L N -1.315 119.738 121.223 -0.283 0.000 2.081 94 L HA -0.435 nan 4.340 nan 0.000 0.212 94 L C 1.915 178.690 176.870 -0.159 0.000 1.080 94 L CA 3.079 57.731 54.840 -0.314 0.000 0.754 94 L CB -0.243 41.559 42.059 -0.429 0.000 0.893 94 L HN -0.066 7.970 8.230 -0.323 0.000 0.433 95 F N -3.335 116.587 119.950 -0.045 0.000 2.259 95 F HA -0.253 nan 4.527 nan 0.000 0.298 95 F C 1.713 177.507 175.800 -0.009 0.000 1.088 95 F CA 1.804 59.788 58.000 -0.026 0.000 1.358 95 F CB -1.023 37.958 39.000 -0.031 0.000 1.040 95 F HN -0.242 7.666 8.300 -0.468 0.112 0.505 96 K N -0.495 119.993 120.400 0.147 0.000 1.991 96 K HA -0.238 nan 4.320 nan 0.000 0.212 96 K C 1.889 178.542 176.600 0.090 0.000 1.049 96 K CA 2.310 58.657 56.287 0.100 0.000 0.932 96 K CB -0.010 32.530 32.500 0.067 0.000 0.717 96 K HN -0.367 7.821 8.250 0.093 0.118 0.441 97 V N -8.619 111.335 119.914 0.066 0.000 2.809 97 V HA 0.026 nan 4.120 nan 0.000 0.256 97 V C 0.215 176.368 176.094 0.098 0.000 1.080 97 V CA 0.909 63.258 62.300 0.082 0.000 1.102 97 V CB 0.351 32.214 31.823 0.067 0.000 0.705 97 V HN -0.410 7.799 8.190 0.032 0.000 0.475 98 E N -0.929 119.334 120.200 0.105 0.000 2.372 98 E HA 0.117 nan 4.350 nan 0.000 0.279 98 E C -2.134 174.573 176.600 0.177 0.000 0.946 98 E CA -1.406 55.069 56.400 0.123 0.000 0.769 98 E CB 3.173 32.934 29.700 0.101 0.000 1.230 98 E HN -0.350 7.912 8.360 0.116 0.167 0.442 99 S N 2.410 118.195 115.700 0.142 0.000 2.438 99 S HA 0.217 nan 4.470 nan 0.000 0.293 99 S C -1.086 173.593 174.600 0.130 0.000 1.141 99 S CA -0.328 57.949 58.200 0.129 0.000 1.080 99 S CB 0.680 63.917 63.200 0.063 0.000 0.978 99 S HN 0.170 8.550 8.310 0.117 0.000 0.479 100 V N 5.847 125.867 119.914 0.177 0.000 3.225 100 V HA 0.157 nan 4.120 nan 0.000 0.293 100 V C -1.951 174.211 176.094 0.113 0.000 1.405 100 V CA -0.839 61.546 62.300 0.141 0.000 1.038 100 V CB 4.778 36.689 31.823 0.147 0.000 1.123 100 V HN 0.591 9.166 8.190 0.191 -0.271 0.447 101 N N 3.630 122.289 118.700 -0.068 0.000 2.462 101 N HA 0.248 nan 4.740 nan 0.000 0.242 101 N C -1.827 173.618 175.510 -0.108 0.000 1.010 101 N CA -0.573 52.364 53.050 -0.188 0.000 0.939 101 N CB 0.312 38.441 38.487 -0.597 0.000 1.127 101 N HN 0.537 8.867 8.380 -0.084 0.000 0.509 102 c N 5.841 124.465 118.600 0.040 0.000 2.185 102 c HA 0.430 nan 4.570 nan 0.000 0.357 102 c C -0.532 173.559 174.090 0.002 0.000 1.053 102 c CA -2.140 54.172 56.329 -0.028 0.000 1.552 102 c CB -0.835 41.626 42.510 -0.083 0.000 1.679 102 c HN 0.406 8.753 8.230 0.195 0.000 0.453 103 I N 7.314 127.776 120.570 -0.181 0.000 2.329 103 I HA 0.069 nan 4.170 nan 0.000 0.295 103 I C -0.612 175.460 176.117 -0.075 0.000 1.109 103 I CA -0.417 60.790 61.300 -0.154 0.000 1.297 103 I CB -0.626 37.132 38.000 -0.404 0.000 1.433 103 I HN 0.718 8.728 8.210 -0.334 0.000 0.509 104 C N 8.964 128.253 119.300 -0.017 0.000 2.662 104 C HA 0.142 nan 4.460 nan 0.000 0.420 104 C C -0.335 174.593 174.990 -0.104 0.000 1.314 104 C CA 0.711 59.683 59.018 -0.078 0.000 1.963 104 C CB -0.698 26.989 27.740 -0.088 0.000 2.686 104 C HN 0.198 8.471 8.230 0.071 0.000 0.609 105 V N 4.051 123.916 119.914 -0.081 0.000 2.349 105 V HA 0.268 nan 4.120 nan 0.000 0.284 105 V C -2.040 174.076 176.094 0.036 0.000 1.014 105 V CA -0.723 61.497 62.300 -0.133 0.000 0.826 105 V CB 1.203 32.961 31.823 -0.109 0.000 1.009 105 V HN 0.292 8.448 8.190 -0.057 0.000 0.431 106 D N 7.454 127.813 120.400 -0.069 0.000 2.210 106 D HA 0.387 nan 4.640 nan 0.000 0.249 106 D C -0.874 175.563 176.300 0.229 0.000 1.078 106 D CA -1.632 52.379 54.000 0.019 0.000 0.875 106 D CB 2.573 43.278 40.800 -0.159 0.000 1.175 106 D HN 0.583 8.736 8.370 -0.200 0.097 0.440 107 W N 2.313 123.800 121.300 0.312 0.000 0.773 107 W HA 0.388 nan 4.660 nan 0.000 0.283 107 W C -1.388 175.241 176.519 0.183 0.000 0.839 107 W CA -1.275 56.135 57.345 0.108 0.000 1.712 107 W CB -0.080 29.347 29.460 -0.056 0.000 1.216 107 W HN 0.126 8.564 8.180 0.429 0.000 0.476 108 K N 1.609 121.989 120.400 -0.033 0.000 2.365 108 K HA -0.170 nan 4.320 nan 0.000 0.199 108 K C 1.117 177.695 176.600 -0.037 0.000 1.045 108 K CA 2.691 58.881 56.287 -0.162 0.000 0.962 108 K CB -1.092 31.271 32.500 -0.228 0.000 0.759 108 K HN 0.044 8.384 8.250 -0.005 -0.093 0.469 109 G N -1.143 107.702 108.800 0.076 0.000 2.394 109 G HA2 -0.129 nan 3.960 nan 0.000 0.214 109 G HA3 -0.129 nan 3.960 nan 0.000 0.214 109 G C 1.410 176.475 174.900 0.276 0.000 1.176 109 G CA 1.187 46.384 45.100 0.162 0.000 0.786 109 G HN -0.489 7.827 8.290 0.088 0.027 0.533 110 G N 0.784 109.769 108.800 0.308 0.000 2.422 110 G HA2 -0.185 nan 3.960 nan 0.000 0.218 110 G HA3 -0.185 nan 3.960 nan 0.000 0.218 110 G C 1.164 176.204 174.900 0.234 0.000 1.140 110 G CA 1.431 46.718 45.100 0.311 0.000 0.775 110 G HN -0.176 8.243 8.290 0.311 0.058 0.545 111 S N -0.589 115.135 115.700 0.041 0.000 2.562 111 S HA -0.021 nan 4.470 nan 0.000 0.221 111 S C 1.142 175.696 174.600 -0.076 0.000 0.975 111 S CA 1.771 59.828 58.200 -0.238 0.000 0.918 111 S CB 0.084 62.636 63.200 -1.080 0.000 0.772 111 S HN -0.245 7.923 8.310 -0.038 0.120 0.531 112 R N -1.125 119.354 120.500 -0.034 0.000 2.393 112 R HA 0.172 nan 4.340 nan 0.000 0.244 112 R C 0.242 176.580 176.300 0.064 0.000 0.920 112 R CA -0.209 55.857 56.100 -0.056 0.000 1.076 112 R CB -0.125 30.148 30.300 -0.046 0.000 1.119 112 R HN -0.567 7.667 8.270 0.016 0.046 0.524 113 T N -0.070 114.555 114.554 0.119 0.000 3.225 113 T HA 0.143 nan 4.350 nan 0.000 0.347 113 T C 0.527 175.368 174.700 0.236 0.000 1.254 113 T CA -0.302 61.891 62.100 0.154 0.000 0.950 113 T CB 0.501 69.316 68.868 -0.088 0.000 1.873 113 T HN -0.516 7.689 8.240 0.075 0.080 0.563 114 G N -1.183 107.717 108.800 0.166 0.000 2.569 114 G HA2 0.108 nan 3.960 nan 0.000 0.249 114 G HA3 0.108 nan 3.960 nan 0.000 0.249 114 G C -0.468 174.490 174.900 0.096 0.000 1.216 114 G CA -0.502 44.707 45.100 0.182 0.000 0.845 114 G HN -0.055 8.312 8.290 0.128 0.000 0.568 115 Y N 1.698 121.951 120.300 -0.079 0.000 2.070 115 Y HA -0.378 nan 4.550 nan 0.000 0.280 115 Y C 1.451 177.196 175.900 -0.258 0.000 1.148 115 Y CA 3.341 61.130 58.100 -0.517 0.000 1.125 115 Y CB -0.248 37.880 38.460 -0.552 0.000 0.975 115 Y HN 0.217 8.621 8.280 0.207 0.000 0.492 116 T N -3.612 110.712 114.554 -0.383 0.000 2.684 116 T HA -0.365 nan 4.350 nan 0.000 0.267 116 T C 2.385 176.909 174.700 -0.295 0.000 1.036 116 T CA 3.976 65.881 62.100 -0.324 0.000 1.148 116 T CB -0.883 67.912 68.868 -0.122 0.000 0.863 116 T HN -0.043 8.120 8.240 -0.128 0.000 0.436 117 Q N 2.716 122.386 119.800 -0.217 0.000 2.014 117 Q HA -0.336 nan 4.340 nan 0.000 0.207 117 Q C 1.982 177.781 176.000 -0.336 0.000 0.993 117 Q CA 2.532 58.179 55.803 -0.259 0.000 0.850 117 Q CB -0.953 27.641 28.738 -0.239 0.000 0.916 117 Q HN -0.263 7.919 8.270 -0.146 0.000 0.417 118 A N -1.377 121.280 122.820 -0.272 0.000 1.908 118 A HA -0.326 nan 4.320 nan 0.000 0.218 118 A C 2.017 179.516 177.584 -0.141 0.000 1.181 118 A CA 3.124 55.098 52.037 -0.106 0.000 0.627 118 A CB -0.756 18.334 19.000 0.150 0.000 0.818 118 A HN 0.395 8.180 8.150 -0.274 0.201 0.445 119 S N -3.098 112.425 115.700 -0.294 0.000 2.469 119 S HA -0.430 nan 4.470 nan 0.000 0.238 119 S C 2.115 176.673 174.600 -0.071 0.000 0.998 119 S CA 2.767 60.920 58.200 -0.080 0.000 0.957 119 S CB -0.304 62.770 63.200 -0.210 0.000 0.764 119 S HN 0.325 8.324 8.310 -0.518 0.000 0.514 120 Q N 1.566 121.256 119.800 -0.183 0.000 2.165 120 Q HA -0.068 nan 4.340 nan 0.000 0.197 120 Q C 2.184 178.070 176.000 -0.190 0.000 0.952 120 Q CA 2.331 58.038 55.803 -0.160 0.000 0.848 120 Q CB -0.099 28.540 28.738 -0.165 0.000 0.931 120 Q HN -0.070 7.885 8.270 -0.242 0.169 0.470 121 N N 1.454 119.990 118.700 -0.273 0.000 2.309 121 N HA -0.217 nan 4.740 nan 0.000 0.182 121 N C 2.408 177.699 175.510 -0.364 0.000 1.018 121 N CA 2.561 55.423 53.050 -0.313 0.000 0.876 121 N CB -0.655 37.641 38.487 -0.318 0.000 0.972 121 N HN -0.228 7.889 8.380 -0.292 0.087 0.434 122 I N -1.227 119.091 120.570 -0.419 0.000 2.462 122 I HA -0.548 nan 4.170 nan 0.000 0.259 122 I C 1.824 177.776 176.117 -0.276 0.000 1.156 122 I CA 2.762 63.766 61.300 -0.494 0.000 1.417 122 I CB -2.008 35.810 38.000 -0.303 0.000 1.088 122 I HN -0.160 7.817 8.210 -0.348 0.024 0.442 123 R N -0.821 119.584 120.500 -0.158 0.000 2.092 123 R HA -0.256 nan 4.340 nan 0.000 0.231 123 R C 2.739 179.011 176.300 -0.048 0.000 1.119 123 R CA 3.319 59.397 56.100 -0.036 0.000 0.970 123 R CB -0.331 29.977 30.300 0.014 0.000 0.864 123 R HN -0.513 7.630 8.270 -0.158 0.032 0.440 124 I N 0.226 120.645 120.570 -0.251 0.000 2.202 124 I HA -0.437 nan 4.170 nan 0.000 0.242 124 I C 1.404 177.392 176.117 -0.215 0.000 1.091 124 I CA 4.377 65.482 61.300 -0.325 0.000 1.368 124 I CB -0.004 37.734 38.000 -0.435 0.000 1.058 124 I HN 0.014 7.940 8.210 -0.295 0.107 0.410 125 V N -1.159 118.561 119.914 -0.323 0.000 2.407 125 V HA -0.415 nan 4.120 nan 0.000 0.248 125 V C 1.933 177.879 176.094 -0.246 0.000 1.055 125 V CA 4.756 66.827 62.300 -0.383 0.000 1.049 125 V CB -1.392 29.912 31.823 -0.864 0.000 0.662 125 V HN -0.050 7.843 8.190 -0.399 0.058 0.455 126 G N -1.459 107.219 108.800 -0.202 0.000 2.421 126 G HA2 -0.367 nan 3.960 nan 0.000 0.216 126 G HA3 -0.367 nan 3.960 nan 0.000 0.216 126 G C 0.487 175.386 174.900 -0.002 0.000 1.171 126 G CA 2.263 47.310 45.100 -0.088 0.000 0.775 126 G HN 0.355 8.367 8.290 -0.240 0.134 0.543 127 A N 1.430 124.274 122.820 0.041 0.000 1.969 127 A HA -0.194 nan 4.320 nan 0.000 0.218 127 A C 2.476 180.157 177.584 0.161 0.000 1.169 127 A CA 2.756 54.867 52.037 0.123 0.000 0.635 127 A CB -0.704 18.430 19.000 0.224 0.000 0.810 127 A HN 0.171 8.120 8.150 0.006 0.204 0.445 128 E N -0.939 119.349 120.200 0.148 0.000 2.017 128 E HA -0.312 nan 4.350 nan 0.000 0.193 128 E C 2.436 179.287 176.600 0.419 0.000 0.997 128 E CA 3.116 59.703 56.400 0.312 0.000 0.804 128 E CB -0.302 29.574 29.700 0.292 0.000 0.757 128 E HN 0.124 8.396 8.360 0.058 0.124 0.448 129 V N 0.049 120.129 119.914 0.276 0.000 2.392 129 V HA -0.356 nan 4.120 nan 0.000 0.249 129 V C 2.001 178.092 176.094 -0.005 0.000 1.059 129 V CA 4.264 66.635 62.300 0.120 0.000 1.051 129 V CB -1.058 30.677 31.823 -0.147 0.000 0.658 129 V HN -0.119 8.150 8.190 0.131 0.000 0.455 130 A N -0.077 122.779 122.820 0.061 0.000 1.877 130 A HA -0.274 nan 4.320 nan 0.000 0.216 130 A C 1.496 179.190 177.584 0.184 0.000 1.186 130 A CA 3.294 55.382 52.037 0.085 0.000 0.620 130 A CB -0.751 18.305 19.000 0.095 0.000 0.822 130 A HN 0.475 8.553 8.150 0.077 0.119 0.443 131 Y N -0.046 120.305 120.300 0.086 0.000 2.181 131 Y HA -0.365 nan 4.550 nan 0.000 0.288 131 Y C 1.584 177.534 175.900 0.082 0.000 1.146 131 Y CA 1.009 59.154 58.100 0.074 0.000 1.164 131 Y CB -0.264 38.238 38.460 0.070 0.000 0.982 131 Y HN -0.308 7.985 8.280 0.338 0.189 0.515 132 F N -0.538 119.323 119.950 -0.148 0.000 2.095 132 F HA -0.492 nan 4.527 nan 0.000 0.298 132 F C 1.967 177.676 175.800 -0.152 0.000 1.104 132 F CA 4.835 62.650 58.000 -0.308 0.000 1.232 132 F CB -0.154 38.606 39.000 -0.399 0.000 0.987 132 F HN 0.079 8.566 8.300 0.311 0.000 0.475 133 V N -1.601 118.436 119.914 0.206 0.000 2.287 133 V HA -0.566 nan 4.120 nan 0.000 0.248 133 V C 2.029 178.204 176.094 0.135 0.000 1.053 133 V CA 4.332 66.745 62.300 0.189 0.000 1.027 133 V CB -1.214 30.669 31.823 0.101 0.000 0.646 133 V HN -0.332 7.940 8.190 0.136 0.000 0.447 134 E N -0.959 119.298 120.200 0.094 0.000 2.035 134 E HA -0.474 nan 4.350 nan 0.000 0.204 134 E C 2.223 178.823 176.600 0.000 0.000 1.025 134 E CA 3.374 59.819 56.400 0.075 0.000 0.835 134 E CB -0.593 29.203 29.700 0.161 0.000 0.764 134 E HN -0.353 8.002 8.360 0.113 0.073 0.457 135 V N -0.016 119.809 119.914 -0.147 0.000 2.407 135 V HA -0.286 nan 4.120 nan 0.000 0.248 135 V C 1.912 177.937 176.094 -0.115 0.000 1.055 135 V CA 3.785 65.960 62.300 -0.208 0.000 1.049 135 V CB -0.721 30.831 31.823 -0.452 0.000 0.662 135 V HN -0.153 7.897 8.190 -0.233 0.000 0.455 136 L N 0.082 121.277 121.223 -0.048 0.000 1.978 136 L HA -0.440 nan 4.340 nan 0.000 0.218 136 L C 2.519 179.466 176.870 0.129 0.000 1.075 136 L CA 2.859 57.739 54.840 0.066 0.000 0.767 136 L CB -1.879 40.337 42.059 0.262 0.000 0.890 136 L HN -0.227 7.979 8.230 -0.041 0.000 0.434 137 K N -0.858 119.620 120.400 0.130 0.000 1.991 137 K HA -0.383 nan 4.320 nan 0.000 0.212 137 K C 2.555 179.196 176.600 0.069 0.000 1.049 137 K CA 3.507 59.858 56.287 0.107 0.000 0.932 137 K CB 0.156 32.709 32.500 0.088 0.000 0.717 137 K HN 0.268 8.593 8.250 0.124 0.000 0.441 138 S N -1.769 113.957 115.700 0.042 0.000 2.371 138 S HA -0.071 nan 4.470 nan 0.000 0.219 138 S C 1.989 176.597 174.600 0.013 0.000 1.040 138 S CA 2.692 60.909 58.200 0.029 0.000 0.958 138 S CB 0.329 63.547 63.200 0.029 0.000 0.860 138 S HN 0.181 8.511 8.310 0.035 0.000 0.487 139 S N 1.177 116.868 115.700 -0.014 0.000 2.357 139 S HA -0.175 nan 4.470 nan 0.000 0.221 139 S C 1.359 175.947 174.600 -0.022 0.000 1.031 139 S CA 2.856 61.036 58.200 -0.033 0.000 0.982 139 S CB 0.472 63.623 63.200 -0.081 0.000 0.853 139 S HN -0.510 7.783 8.310 -0.028 0.000 0.458 140 L N -1.899 119.314 121.223 -0.016 0.000 2.354 140 L HA 0.064 nan 4.340 nan 0.000 0.212 140 L C 1.111 178.025 176.870 0.074 0.000 1.091 140 L CA 0.585 55.429 54.840 0.007 0.000 0.828 140 L CB 0.718 42.758 42.059 -0.032 0.000 0.973 140 L HN -0.182 8.037 8.230 -0.018 0.000 0.461 141 G N -2.834 106.023 108.800 0.095 0.000 2.195 141 G HA2 -0.379 nan 3.960 nan 0.000 0.224 141 G HA3 -0.379 nan 3.960 nan 0.000 0.224 141 G C -1.172 173.832 174.900 0.173 0.000 0.990 141 G CA -0.156 45.012 45.100 0.113 0.000 0.639 141 G HN -0.065 8.176 8.290 0.079 0.096 0.514 142 Y N 3.139 123.483 120.300 0.074 0.000 2.674 142 Y HA -0.224 nan 4.550 nan 0.000 0.354 142 Y C -1.364 174.607 175.900 0.119 0.000 1.089 142 Y CA 0.369 58.542 58.100 0.121 0.000 1.444 142 Y CB -0.498 38.069 38.460 0.179 0.000 1.187 142 Y HN -0.503 7.806 8.280 0.286 0.143 0.523 143 S N 7.140 122.736 115.700 -0.173 0.000 2.549 143 S HA 0.142 nan 4.470 nan 0.000 0.286 143 S C 0.247 174.778 174.600 -0.114 0.000 1.314 143 S CA -2.520 55.614 58.200 -0.109 0.000 1.062 143 S CB 1.074 64.212 63.200 -0.103 0.000 0.865 143 S HN 0.192 8.378 8.310 -0.207 0.000 0.498 144 P HA -0.062 nan 4.420 nan 0.000 0.228 144 P C 0.955 178.275 177.300 0.034 0.000 1.151 144 P CA 1.508 64.642 63.100 0.056 0.000 0.770 144 P CB 0.023 31.765 31.700 0.070 0.000 0.786 145 S N 0.283 115.976 115.700 -0.012 0.000 2.377 145 S HA -0.399 nan 4.470 nan 0.000 0.224 145 S C 1.997 176.592 174.600 -0.009 0.000 1.042 145 S CA 3.471 61.665 58.200 -0.011 0.000 1.086 145 S CB -0.129 63.050 63.200 -0.035 0.000 0.995 145 S HN -0.204 8.050 8.310 -0.026 0.040 0.428 146 N N -1.640 116.996 118.700 -0.106 0.000 2.635 146 N HA -0.133 nan 4.740 nan 0.000 0.191 146 N C -0.934 174.637 175.510 0.101 0.000 1.155 146 N CA 1.023 54.026 53.050 -0.078 0.000 0.927 146 N CB -0.081 38.205 38.487 -0.335 0.000 0.976 146 N HN -0.304 7.948 8.380 -0.212 0.000 0.448 147 V N -0.841 119.172 119.914 0.165 0.000 2.546 147 V HA 0.140 nan 4.120 nan 0.000 0.284 147 V C -1.898 174.375 176.094 0.298 0.000 1.050 147 V CA -0.351 62.139 62.300 0.316 0.000 0.981 147 V CB 0.599 32.655 31.823 0.388 0.000 0.990 147 V HN -0.388 7.656 8.190 0.107 0.211 0.474 148 H N 6.737 125.923 119.070 0.193 0.000 2.609 148 H HA 0.564 nan 4.556 nan 0.000 0.344 148 H C -1.911 173.519 175.328 0.170 0.000 1.040 148 H CA -2.129 53.990 56.048 0.119 0.000 1.216 148 H CB 3.246 33.047 29.762 0.065 0.000 1.529 148 H HN 0.721 9.212 8.280 0.352 0.000 0.519 149 V N 7.706 127.788 119.914 0.281 0.000 2.417 149 V HA 0.513 nan 4.120 nan 0.000 0.291 149 V C -1.461 174.639 176.094 0.010 0.000 1.024 149 V CA -0.925 61.448 62.300 0.121 0.000 0.861 149 V CB 1.639 33.503 31.823 0.070 0.000 0.985 149 V HN 0.666 9.073 8.190 0.362 0.000 0.436 150 I N 6.466 126.962 120.570 -0.124 0.000 2.433 150 I HA 0.712 nan 4.170 nan 0.000 0.292 150 I C -1.522 174.565 176.117 -0.051 0.000 1.001 150 I CA -1.347 59.855 61.300 -0.163 0.000 1.119 150 I CB 2.773 40.548 38.000 -0.375 0.000 1.289 150 I HN 1.002 9.050 8.210 -0.090 0.108 0.438 151 G N 4.329 113.108 108.800 -0.035 0.000 2.696 151 G HA2 0.663 nan 3.960 nan 0.000 0.295 151 G HA3 0.663 nan 3.960 nan 0.000 0.295 151 G C -3.140 171.791 174.900 0.051 0.000 1.398 151 G CA -0.614 44.514 45.100 0.046 0.000 0.920 151 G HN 0.481 8.721 8.290 -0.083 0.000 0.492 152 H N 2.584 121.691 119.070 0.063 0.000 2.572 152 H HA 0.638 nan 4.556 nan 0.000 0.359 152 H C -0.202 175.158 175.328 0.054 0.000 1.134 152 H CA -2.113 53.934 56.048 -0.002 0.000 1.187 152 H CB 3.478 33.222 29.762 -0.030 0.000 1.597 152 H HN -0.155 8.306 8.280 0.302 0.000 0.524 153 S N 2.810 118.075 115.700 -0.725 0.000 3.927 153 S HA -0.530 nan 4.470 nan 0.000 0.618 153 S C 1.477 175.911 174.600 -0.276 0.000 2.201 153 S CA 2.867 60.840 58.200 -0.379 0.000 4.160 153 S CB -0.073 63.030 63.200 -0.162 0.000 0.266 153 S HN 0.219 8.073 8.310 -0.760 0.000 0.760 154 L N 0.964 122.135 121.223 -0.086 0.000 2.123 154 L HA -0.327 nan 4.340 nan 0.000 0.217 154 L C 2.019 178.834 176.870 -0.092 0.000 1.081 154 L CA 2.464 57.260 54.840 -0.074 0.000 0.772 154 L CB -0.716 41.454 42.059 0.185 0.000 0.890 154 L HN 0.289 8.537 8.230 0.029 0.000 0.437 155 G N -3.583 105.224 108.800 0.012 0.000 2.432 155 G HA2 -0.376 nan 3.960 nan 0.000 0.219 155 G HA3 -0.376 nan 3.960 nan 0.000 0.219 155 G C 1.018 175.859 174.900 -0.099 0.000 1.135 155 G CA 2.370 47.475 45.100 0.008 0.000 0.767 155 G HN 0.455 8.706 8.290 0.084 0.090 0.550 156 S N 1.997 117.569 115.700 -0.214 0.000 2.368 156 S HA -0.308 nan 4.470 nan 0.000 0.224 156 S C 2.080 176.555 174.600 -0.209 0.000 1.029 156 S CA 3.622 61.668 58.200 -0.256 0.000 0.988 156 S CB -0.955 62.001 63.200 -0.407 0.000 0.838 156 S HN 0.071 8.118 8.310 -0.257 0.109 0.462 157 H N 3.125 122.088 119.070 -0.179 0.000 2.290 157 H HA -0.276 nan 4.556 nan 0.000 0.298 157 H C 2.100 177.381 175.328 -0.079 0.000 1.087 157 H CA 2.663 58.637 56.048 -0.123 0.000 1.291 157 H CB -0.617 29.007 29.762 -0.230 0.000 1.369 157 H HN -0.782 7.214 8.280 -0.445 0.017 0.492 158 A N -1.295 121.508 122.820 -0.028 0.000 1.915 158 A HA -0.463 nan 4.320 nan 0.000 0.220 158 A C 1.964 179.501 177.584 -0.079 0.000 1.198 158 A CA 3.245 55.204 52.037 -0.130 0.000 0.647 158 A CB -1.018 17.801 19.000 -0.301 0.000 0.825 158 A HN -0.043 8.067 8.150 -0.068 0.000 0.456 159 A N -2.976 119.802 122.820 -0.069 0.000 1.972 159 A HA -0.277 nan 4.320 nan 0.000 0.219 159 A C 2.375 179.952 177.584 -0.011 0.000 1.169 159 A CA 2.790 54.796 52.037 -0.051 0.000 0.635 159 A CB -0.674 18.298 19.000 -0.048 0.000 0.810 159 A HN 0.063 8.098 8.150 -0.081 0.067 0.446 160 G N -1.708 107.107 108.800 0.024 0.000 2.408 160 G HA2 -0.322 nan 3.960 nan 0.000 0.217 160 G HA3 -0.322 nan 3.960 nan 0.000 0.217 160 G C 1.684 176.633 174.900 0.081 0.000 1.150 160 G CA 1.805 46.945 45.100 0.067 0.000 0.776 160 G HN -0.095 8.080 8.290 0.021 0.128 0.542 161 E N 2.913 123.161 120.200 0.080 0.000 2.012 161 E HA -0.348 nan 4.350 nan 0.000 0.197 161 E C 2.228 178.860 176.600 0.053 0.000 1.007 161 E CA 2.671 59.122 56.400 0.086 0.000 0.816 161 E CB -0.486 29.249 29.700 0.058 0.000 0.762 161 E HN 0.076 8.381 8.360 0.068 0.095 0.451 162 A N -1.777 121.049 122.820 0.010 0.000 1.948 162 A HA -0.246 nan 4.320 nan 0.000 0.220 162 A C 2.637 180.230 177.584 0.014 0.000 1.177 162 A CA 2.982 55.015 52.037 -0.006 0.000 0.636 162 A CB -0.657 18.296 19.000 -0.079 0.000 0.815 162 A HN 0.300 8.442 8.150 -0.013 0.000 0.449 163 G N -1.947 106.865 108.800 0.021 0.000 2.414 163 G HA2 -0.364 nan 3.960 nan 0.000 0.215 163 G HA3 -0.364 nan 3.960 nan 0.000 0.215 163 G C 0.894 175.826 174.900 0.053 0.000 1.188 163 G CA 1.607 46.729 45.100 0.037 0.000 0.783 163 G HN 0.333 8.443 8.290 0.015 0.189 0.537 164 R N 2.171 122.710 120.500 0.065 0.000 2.097 164 R HA -0.324 nan 4.340 nan 0.000 0.236 164 R C 2.521 178.861 176.300 0.066 0.000 1.135 164 R CA 3.202 59.346 56.100 0.073 0.000 0.934 164 R CB -0.116 30.243 30.300 0.099 0.000 0.846 164 R HN -0.103 8.010 8.270 0.067 0.196 0.431 165 R N -4.296 116.244 120.500 0.067 0.000 2.200 165 R HA -0.155 nan 4.340 nan 0.000 0.234 165 R C 1.296 177.631 176.300 0.059 0.000 1.127 165 R CA 2.006 58.142 56.100 0.060 0.000 0.989 165 R CB -0.806 29.532 30.300 0.064 0.000 0.869 165 R HN 0.174 8.487 8.270 0.071 0.000 0.459 166 T N -6.430 108.158 114.554 0.057 0.000 3.206 166 T HA 0.291 nan 4.350 nan 0.000 0.253 166 T C -0.313 174.419 174.700 0.054 0.000 1.042 166 T CA -1.315 60.819 62.100 0.058 0.000 0.931 166 T CB -0.559 68.343 68.868 0.056 0.000 1.029 166 T HN -0.364 7.730 8.240 0.055 0.179 0.564 167 N N -0.227 118.504 118.700 0.051 0.000 2.714 167 N HA -0.390 nan 4.740 nan 0.000 0.250 167 N C 0.455 175.995 175.510 0.051 0.000 1.117 167 N CA 0.788 53.866 53.050 0.047 0.000 0.719 167 N CB -2.157 36.356 38.487 0.042 0.000 1.081 167 N HN 0.670 8.892 8.380 0.052 0.189 0.557 168 G N -4.751 104.083 108.800 0.056 0.000 2.350 168 G HA2 -0.379 nan 3.960 nan 0.000 0.298 168 G HA3 -0.379 nan 3.960 nan 0.000 0.298 168 G C -0.157 174.780 174.900 0.062 0.000 1.037 168 G CA 1.045 46.183 45.100 0.062 0.000 1.074 168 G HN 0.015 8.319 8.290 0.055 0.020 0.511 169 T N -4.935 109.654 114.554 0.058 0.000 2.985 169 T HA 0.212 nan 4.350 nan 0.000 0.254 169 T C 0.648 175.383 174.700 0.058 0.000 1.021 169 T CA -1.053 61.080 62.100 0.055 0.000 0.957 169 T CB 0.608 69.506 68.868 0.049 0.000 1.047 169 T HN -0.488 7.786 8.240 0.057 0.000 0.511 170 I N -1.638 118.970 120.570 0.064 0.000 2.710 170 I HA 0.037 nan 4.170 nan 0.000 0.286 170 I C 0.754 176.914 176.117 0.073 0.000 1.181 170 I CA 0.215 61.560 61.300 0.076 0.000 1.430 170 I CB 0.664 38.713 38.000 0.082 0.000 1.367 170 I HN -0.934 7.312 8.210 0.061 0.000 0.577 171 E N 5.383 125.629 120.200 0.078 0.000 2.153 171 E HA -0.354 nan 4.350 nan 0.000 0.194 171 E C -0.205 176.428 176.600 0.056 0.000 0.988 171 E CA 2.005 58.446 56.400 0.068 0.000 0.811 171 E CB 0.018 29.755 29.700 0.062 0.000 0.746 171 E HN 0.045 8.460 8.360 0.091 0.000 0.466 172 R N -5.311 115.200 120.500 0.019 0.000 2.579 172 R HA 0.368 nan 4.340 nan 0.000 0.260 172 R C -2.647 173.627 176.300 -0.045 0.000 1.103 172 R CA -0.480 55.546 56.100 -0.123 0.000 0.942 172 R CB 3.647 33.730 30.300 -0.362 0.000 1.251 172 R HN -0.917 7.362 8.270 0.070 0.032 0.450 173 I N 4.108 124.586 120.570 -0.152 0.000 2.545 173 I HA 0.605 nan 4.170 nan 0.000 0.292 173 I C -2.291 173.731 176.117 -0.158 0.000 1.040 173 I CA -1.328 59.936 61.300 -0.060 0.000 1.068 173 I CB 4.345 42.311 38.000 -0.057 0.000 1.251 173 I HN 0.739 8.762 8.210 -0.312 0.000 0.424 174 T N 7.716 122.230 114.554 -0.066 0.000 2.824 174 T HA 0.574 nan 4.350 nan 0.000 0.282 174 T C -1.342 173.278 174.700 -0.133 0.000 0.993 174 T CA -1.195 60.840 62.100 -0.108 0.000 0.967 174 T CB 2.110 70.971 68.868 -0.011 0.000 0.960 174 T HN 0.521 8.754 8.240 -0.011 0.000 0.441 175 G N 2.986 111.690 108.800 -0.159 0.000 2.955 175 G HA2 0.677 nan 3.960 nan 0.000 0.336 175 G HA3 0.677 nan 3.960 nan 0.000 0.336 175 G C -1.663 173.105 174.900 -0.219 0.000 1.264 175 G CA -0.923 44.054 45.100 -0.204 0.000 1.096 175 G HN 0.229 8.428 8.290 -0.152 0.000 0.486 176 L N 6.040 127.163 121.223 -0.167 0.000 2.462 176 L HA -0.149 nan 4.340 nan 0.000 0.283 176 L C -0.991 175.779 176.870 -0.167 0.000 1.166 176 L CA -0.452 54.307 54.840 -0.135 0.000 0.964 176 L CB -1.251 40.765 42.059 -0.072 0.000 1.294 176 L HN 0.478 8.626 8.230 -0.138 0.000 0.449 177 D N 1.405 121.606 120.400 -0.332 0.000 3.508 177 D HA -0.295 nan 4.640 nan 0.000 0.232 177 D C -2.283 173.704 176.300 -0.523 0.000 1.131 177 D CA 0.132 53.849 54.000 -0.473 0.000 1.040 177 D CB 0.017 40.507 40.800 -0.517 0.000 0.879 177 D HN -0.077 8.065 8.370 -0.339 0.025 0.407 178 P HA -0.021 nan 4.420 nan 0.000 0.269 178 P C -2.113 174.973 177.300 -0.357 0.000 1.215 178 P CA -0.125 62.651 63.100 -0.540 0.000 0.780 178 P CB 0.792 32.153 31.700 -0.566 0.000 0.898 179 A N 0.431 123.066 122.820 -0.308 0.000 2.409 179 A HA 0.064 nan 4.320 nan 0.000 0.262 179 A C 0.841 178.526 177.584 0.168 0.000 1.113 179 A CA -0.702 51.329 52.037 -0.011 0.000 0.790 179 A CB 0.746 19.750 19.000 0.006 0.000 1.046 179 A HN 0.140 7.938 8.150 -0.587 0.000 0.496 180 E N 5.144 125.457 120.200 0.188 0.000 2.008 180 E HA -0.007 nan 4.350 nan 0.000 0.191 180 E C -1.840 174.963 176.600 0.338 0.000 0.986 180 E CA 3.159 59.694 56.400 0.224 0.000 0.807 180 E CB -0.811 28.977 29.700 0.147 0.000 0.766 180 E HN 0.084 8.540 8.360 0.161 0.000 0.450 181 P HA -0.032 nan 4.420 nan 0.000 0.266 181 P C -0.504 177.050 177.300 0.424 0.000 1.195 181 P CA 0.868 64.158 63.100 0.317 0.000 0.768 181 P CB -0.001 31.853 31.700 0.256 0.000 0.838 182 C N -2.814 116.576 119.300 0.150 0.000 3.603 182 C HA -0.268 nan 4.460 nan 0.000 0.279 182 C C -0.431 174.260 174.990 -0.498 0.000 1.436 182 C CA 0.773 59.707 59.018 -0.140 0.000 2.054 182 C CB -2.949 24.638 27.740 -0.254 0.000 1.341 182 C HN 0.698 9.000 8.230 0.121 0.000 0.608 183 F N -3.109 116.819 119.950 -0.036 0.000 2.743 183 F HA 0.135 nan 4.527 nan 0.000 0.356 183 F C -0.811 174.966 175.800 -0.039 0.000 0.845 183 F CA 0.583 58.496 58.000 -0.146 0.000 1.058 183 F CB 1.301 40.093 39.000 -0.346 0.000 0.952 183 F HN 0.088 8.496 8.300 0.240 0.036 0.620 184 Q N 1.148 121.082 119.800 0.222 0.000 2.307 184 Q HA -0.045 nan 4.340 nan 0.000 0.259 184 Q C -0.060 175.986 176.000 0.076 0.000 0.998 184 Q CA 0.626 56.518 55.803 0.149 0.000 0.923 184 Q CB 0.429 29.257 28.738 0.149 0.000 1.196 184 Q HN -0.346 8.088 8.270 0.272 0.000 0.416 185 G N 4.826 113.655 108.800 0.049 0.000 2.145 185 G HA2 -0.248 nan 3.960 nan 0.000 0.203 185 G HA3 -0.248 nan 3.960 nan 0.000 0.203 185 G C -1.575 173.311 174.900 -0.023 0.000 1.096 185 G CA -0.501 44.604 45.100 0.009 0.000 1.282 185 G HN -0.234 8.093 8.290 0.062 0.000 0.474 186 T N 2.384 116.898 114.554 -0.067 0.000 0.588 186 T HA -0.347 nan 4.350 nan 0.000 0.770 186 T C -2.107 172.523 174.700 -0.116 0.000 0.992 186 T CA -0.742 61.284 62.100 -0.123 0.000 4.052 186 T CB -0.885 67.882 68.868 -0.169 0.000 2.288 186 T HN 0.170 8.370 8.240 -0.067 0.000 0.397 187 P HA -0.007 nan 4.420 nan 0.000 0.271 187 P C 0.707 177.937 177.300 -0.116 0.000 1.238 187 P CA -0.921 62.099 63.100 -0.132 0.000 0.794 187 P CB 0.620 32.214 31.700 -0.178 0.000 0.959 188 E N -0.373 119.784 120.200 -0.071 0.000 2.200 188 E HA -0.292 nan 4.350 nan 0.000 0.211 188 E C 0.603 177.165 176.600 -0.063 0.000 1.048 188 E CA 2.645 59.022 56.400 -0.038 0.000 0.851 188 E CB -0.427 29.259 29.700 -0.023 0.000 0.747 188 E HN 0.261 8.586 8.360 -0.059 0.000 0.462 189 L N -1.671 119.461 121.223 -0.151 0.000 2.821 189 L HA -0.043 nan 4.340 nan 0.000 0.239 189 L C -0.925 175.652 176.870 -0.488 0.000 1.391 189 L CA 0.289 54.980 54.840 -0.249 0.000 1.231 189 L CB -0.824 41.049 42.059 -0.311 0.000 1.598 189 L HN -0.596 7.516 8.230 -0.167 0.018 0.428 190 V N -2.147 117.618 119.914 -0.249 0.000 3.417 190 V HA 0.096 nan 4.120 nan 0.000 0.196 190 V C -0.598 175.510 176.094 0.022 0.000 1.508 190 V CA 0.886 63.075 62.300 -0.186 0.000 1.178 190 V CB 2.183 33.824 31.823 -0.303 0.000 1.135 190 V HN 0.091 8.095 8.190 -0.151 0.095 0.526 191 R N -1.286 119.230 120.500 0.028 0.000 2.549 191 R HA 0.217 nan 4.340 nan 0.000 0.259 191 R C -0.398 176.039 176.300 0.228 0.000 1.095 191 R CA -1.458 54.735 56.100 0.155 0.000 1.148 191 R CB 1.096 31.504 30.300 0.181 0.000 1.181 191 R HN -0.647 7.604 8.270 -0.031 0.000 0.571 192 L N 1.368 122.812 121.223 0.368 0.000 2.483 192 L HA -0.165 nan 4.340 nan 0.000 0.276 192 L C -0.924 176.022 176.870 0.128 0.000 1.213 192 L CA 0.967 55.910 54.840 0.172 0.000 0.843 192 L CB 0.516 42.611 42.059 0.059 0.000 1.107 192 L HN -0.215 8.399 8.230 0.640 0.000 0.487 193 D N 0.928 121.388 120.400 0.099 0.000 2.783 193 D HA 0.121 nan 4.640 nan 0.000 0.253 193 D C -2.500 173.873 176.300 0.121 0.000 1.206 193 D CA -1.322 52.740 54.000 0.103 0.000 0.740 193 D CB 0.310 41.160 40.800 0.083 0.000 1.313 193 D HN -0.634 7.854 8.370 0.087 -0.065 0.427 194 P HA -0.033 nan 4.420 nan 0.000 0.228 194 P C 0.465 177.911 177.300 0.243 0.000 1.151 194 P CA 1.618 64.889 63.100 0.285 0.000 0.770 194 P CB -0.047 31.770 31.700 0.194 0.000 0.786 195 S N -2.093 113.687 115.700 0.132 0.000 2.447 195 S HA -0.244 nan 4.470 nan 0.000 0.233 195 S C 0.861 175.519 174.600 0.097 0.000 1.006 195 S CA 2.586 60.847 58.200 0.100 0.000 0.957 195 S CB -0.356 62.882 63.200 0.063 0.000 0.773 195 S HN -0.487 8.051 8.310 0.105 -0.165 0.507 196 D N 0.429 120.885 120.400 0.094 0.000 2.363 196 D HA 0.018 nan 4.640 nan 0.000 0.220 196 D C -1.597 174.742 176.300 0.065 0.000 0.994 196 D CA 0.983 55.027 54.000 0.073 0.000 0.890 196 D CB 0.216 41.055 40.800 0.066 0.000 0.906 196 D HN -0.320 8.046 8.370 0.106 0.067 0.530 197 A N -3.724 119.142 122.820 0.078 0.000 2.581 197 A HA 0.308 nan 4.320 nan 0.000 0.290 197 A C -1.545 176.102 177.584 0.105 0.000 1.119 197 A CA -0.606 51.471 52.037 0.068 0.000 0.670 197 A CB 1.981 20.997 19.000 0.027 0.000 1.280 197 A HN -0.923 7.250 8.150 0.110 0.043 0.425 198 K N -2.284 118.177 120.400 0.102 0.000 2.360 198 K HA -0.155 nan 4.320 nan 0.000 0.201 198 K C -0.585 176.131 176.600 0.193 0.000 1.046 198 K CA 2.407 58.780 56.287 0.143 0.000 0.945 198 K CB 0.788 33.352 32.500 0.107 0.000 0.750 198 K HN 0.125 8.424 8.250 0.082 0.000 0.464 199 F N -3.468 116.376 119.950 -0.177 0.000 2.670 199 F HA 0.015 nan 4.527 nan 0.000 0.332 199 F C -3.237 172.299 175.800 -0.438 0.000 1.179 199 F CA -1.697 55.996 58.000 -0.511 0.000 1.076 199 F CB 2.183 41.015 39.000 -0.279 0.000 1.322 199 F HN -0.660 7.614 8.300 0.033 0.047 0.515 200 V N 8.061 127.464 119.914 -0.852 0.000 2.325 200 V HA 0.413 nan 4.120 nan 0.000 0.280 200 V C -2.183 173.613 176.094 -0.497 0.000 1.016 200 V CA -1.512 60.475 62.300 -0.521 0.000 0.818 200 V CB 1.313 33.070 31.823 -0.110 0.000 1.019 200 V HN -0.036 7.401 8.190 -1.255 0.000 0.434 201 D N 5.895 125.878 120.400 -0.695 0.000 2.303 201 D HA 0.465 nan 4.640 nan 0.000 0.236 201 D C -1.073 175.176 176.300 -0.085 0.000 1.068 201 D CA -1.539 52.294 54.000 -0.278 0.000 0.830 201 D CB 1.665 42.279 40.800 -0.310 0.000 1.109 201 D HN -0.139 7.742 8.370 -0.815 0.000 0.496 202 V N 3.014 122.973 119.914 0.076 0.000 2.547 202 V HA 0.661 nan 4.120 nan 0.000 0.299 202 V C -1.356 174.793 176.094 0.092 0.000 1.040 202 V CA -1.173 61.126 62.300 -0.002 0.000 0.913 202 V CB 2.356 34.157 31.823 -0.036 0.000 0.992 202 V HN 0.143 8.451 8.190 0.197 0.000 0.449 203 I N 4.016 124.537 120.570 -0.082 0.000 2.355 203 I HA 0.425 nan 4.170 nan 0.000 0.288 203 I C -1.288 174.703 176.117 -0.210 0.000 0.999 203 I CA -0.928 60.327 61.300 -0.076 0.000 1.163 203 I CB 1.833 39.752 38.000 -0.135 0.000 1.316 203 I HN 0.331 8.437 8.210 -0.172 0.000 0.454 204 H N 8.876 127.714 119.070 -0.385 0.000 2.685 204 H HA 0.262 nan 4.556 nan 0.000 0.286 204 H C -0.425 174.695 175.328 -0.347 0.000 1.102 204 H CA -0.254 55.484 56.048 -0.516 0.000 1.254 204 H CB 0.422 29.522 29.762 -1.105 0.000 1.397 204 H HN 0.467 8.703 8.280 -0.073 0.000 0.473 205 T N 0.390 114.825 114.554 -0.199 0.000 3.132 205 T HA 0.140 nan 4.350 nan 0.000 0.274 205 T C -0.770 173.835 174.700 -0.158 0.000 1.011 205 T CA -0.946 61.065 62.100 -0.148 0.000 0.899 205 T CB 1.055 69.786 68.868 -0.228 0.000 1.089 205 T HN 0.041 8.218 8.240 -0.280 -0.105 0.543 206 D N 0.538 120.838 120.400 -0.167 0.000 3.484 206 D HA 0.117 nan 4.640 nan 0.000 0.315 206 D C -1.790 174.456 176.300 -0.090 0.000 1.516 206 D CA -0.395 53.528 54.000 -0.128 0.000 0.755 206 D CB 0.740 41.456 40.800 -0.140 0.000 1.306 206 D HN -0.567 7.833 8.370 -0.190 -0.144 0.615 207 A N -0.516 122.284 122.820 -0.033 0.000 2.275 207 A HA 0.020 nan 4.320 nan 0.000 0.276 207 A C -1.187 176.413 177.584 0.026 0.000 1.232 207 A CA 0.544 52.603 52.037 0.037 0.000 0.814 207 A CB 0.431 19.517 19.000 0.143 0.000 1.145 207 A HN -0.561 7.574 8.150 -0.024 0.000 0.508 208 A N -3.945 118.907 122.820 0.053 0.000 2.435 208 A HA -0.106 nan 4.320 nan 0.000 0.686 208 A C -2.549 175.029 177.584 -0.009 0.000 0.138 208 A CA -0.286 51.771 52.037 0.033 0.000 0.025 208 A CB -0.781 18.240 19.000 0.035 0.000 3.974 208 A HN 0.223 8.426 8.150 0.088 0.000 0.548 209 P HA 0.293 nan 4.420 nan 0.000 0.288 209 P C -0.338 176.944 177.300 -0.030 0.000 1.267 209 P CA -1.562 61.538 63.100 -0.000 0.000 0.815 209 P CB 0.898 32.607 31.700 0.016 0.000 0.989 210 I N 1.971 122.528 120.570 -0.022 0.000 2.181 210 I HA -0.431 nan 4.170 nan 0.000 0.247 210 I C 0.051 176.154 176.117 -0.023 0.000 1.081 210 I CA 2.576 63.858 61.300 -0.030 0.000 1.340 210 I CB 0.116 38.133 38.000 0.028 0.000 1.036 210 I HN -0.129 8.082 8.210 0.001 0.000 0.417 211 I N -3.251 117.318 120.570 -0.002 0.000 2.353 211 I HA 0.054 nan 4.170 nan 0.000 0.293 211 I C -2.139 173.976 176.117 -0.004 0.000 0.992 211 I CA -2.204 59.096 61.300 0.001 0.000 1.268 211 I CB 0.329 38.336 38.000 0.013 0.000 1.387 211 I HN -0.370 7.834 8.210 0.007 0.011 0.478 212 P HA 0.271 nan 4.420 nan 0.000 0.289 212 P C -1.428 175.856 177.300 -0.027 0.000 1.599 212 P CA -0.611 62.483 63.100 -0.011 0.000 1.239 212 P CB 0.418 32.118 31.700 -0.001 0.000 1.581 213 N N 0.374 119.047 118.700 -0.045 0.000 2.214 213 N HA 0.016 nan 4.740 nan 0.000 0.214 213 N C 0.272 175.705 175.510 -0.128 0.000 1.132 213 N CA -0.332 52.678 53.050 -0.066 0.000 0.856 213 N CB 0.495 38.952 38.487 -0.050 0.000 1.020 213 N HN -0.627 7.652 8.380 -0.041 0.077 0.509 214 L N -1.510 119.623 121.223 -0.150 0.000 3.598 214 L HA -0.307 nan 4.340 nan 0.000 0.422 214 L C -0.803 175.734 176.870 -0.554 0.000 1.262 214 L CA 0.691 55.367 54.840 -0.273 0.000 0.889 214 L CB -2.024 39.898 42.059 -0.229 0.000 1.857 214 L HN -0.182 7.849 8.230 -0.102 0.138 0.858 215 G N -3.305 105.262 108.800 -0.389 0.000 2.333 215 G HA2 0.109 nan 3.960 nan 0.000 0.290 215 G HA3 0.109 nan 3.960 nan 0.000 0.290 215 G C -0.532 174.150 174.900 -0.363 0.000 1.150 215 G CA -0.636 44.210 45.100 -0.422 0.000 0.895 215 G HN -0.903 7.250 8.290 -0.228 0.000 0.444 216 F N 2.084 122.073 119.950 0.066 0.000 2.811 216 F HA -0.028 nan 4.527 nan 0.000 0.301 216 F C -0.079 175.764 175.800 0.072 0.000 1.151 216 F CA -1.338 56.720 58.000 0.097 0.000 1.412 216 F CB -0.476 38.625 39.000 0.168 0.000 1.113 216 F HN -0.439 7.506 8.300 -0.880 -0.174 0.579 217 G N -1.899 106.930 108.800 0.048 0.000 2.488 217 G HA2 0.398 nan 3.960 nan 0.000 0.318 217 G HA3 0.398 nan 3.960 nan 0.000 0.318 217 G C -2.071 172.811 174.900 -0.031 0.000 1.188 217 G CA -1.519 43.529 45.100 -0.086 0.000 0.944 217 G HN -0.447 7.747 8.290 -0.025 0.082 0.495 218 M N 0.163 119.715 119.600 -0.080 0.000 2.080 218 M HA 0.191 nan 4.480 nan 0.000 0.350 218 M C 0.060 176.462 176.300 0.170 0.000 1.173 218 M CA -0.486 54.826 55.300 0.019 0.000 1.052 218 M CB 1.266 33.835 32.600 -0.052 0.000 1.577 218 M HN 0.025 8.188 8.290 -0.211 0.000 0.455 219 S N 6.411 122.214 115.700 0.173 0.000 2.344 219 S HA -0.360 nan 4.470 nan 0.000 0.217 219 S C 0.594 175.354 174.600 0.267 0.000 1.033 219 S CA 2.110 60.443 58.200 0.223 0.000 1.017 219 S CB -0.041 63.250 63.200 0.152 0.000 0.941 219 S HN 0.650 9.088 8.310 0.127 -0.051 0.430 220 Q N 1.090 121.014 119.800 0.207 0.000 2.636 220 Q HA -0.240 nan 4.340 nan 0.000 0.384 220 Q C 0.209 176.383 176.000 0.291 0.000 1.200 220 Q CA 0.927 56.849 55.803 0.199 0.000 1.120 220 Q CB 0.697 29.531 28.738 0.159 0.000 1.170 220 Q HN -0.266 8.489 8.270 0.166 -0.386 0.445 221 T N 0.784 115.472 114.554 0.223 0.000 2.715 221 T HA -0.039 nan 4.350 nan 0.000 0.320 221 T C -1.657 173.176 174.700 0.223 0.000 1.046 221 T CA -0.570 61.678 62.100 0.247 0.000 0.983 221 T CB 0.568 69.536 68.868 0.168 0.000 1.183 221 T HN 0.026 8.364 8.240 0.164 0.000 0.522 222 V N -2.384 117.654 119.914 0.207 0.000 3.045 222 V HA 0.031 nan 4.120 nan 0.000 0.261 222 V C -1.038 175.158 176.094 0.170 0.000 1.836 222 V CA 0.237 62.627 62.300 0.150 0.000 0.950 222 V CB 3.828 35.709 31.823 0.097 0.000 1.363 222 V HN -0.272 8.185 8.190 0.238 -0.124 0.454 223 G N 2.117 111.024 108.800 0.177 0.000 2.880 223 G HA2 -0.249 nan 3.960 nan 0.000 0.617 223 G HA3 -0.249 nan 3.960 nan 0.000 0.617 223 G C -0.047 175.086 174.900 0.387 0.000 1.493 223 G CA 0.285 45.540 45.100 0.258 0.000 0.916 223 G HN 0.161 8.546 8.290 0.157 0.000 0.553 224 H N 1.053 120.237 119.070 0.190 0.000 2.267 224 H HA -0.137 nan 4.556 nan 0.000 0.302 224 H C 1.435 176.928 175.328 0.274 0.000 1.056 224 H CA 1.601 57.801 56.048 0.254 0.000 1.269 224 H CB 0.318 30.308 29.762 0.380 0.000 1.385 224 H HN 0.413 8.922 8.280 0.558 0.106 0.501 225 L N -2.324 119.188 121.223 0.482 0.000 2.397 225 L HA 0.032 nan 4.340 nan 0.000 0.271 225 L C -0.950 176.041 176.870 0.202 0.000 1.148 225 L CA 0.425 55.425 54.840 0.266 0.000 0.825 225 L CB 0.371 42.528 42.059 0.164 0.000 1.117 225 L HN -0.574 8.007 8.230 0.584 0.000 0.456 226 D N 1.789 122.253 120.400 0.106 0.000 2.363 226 D HA 0.311 nan 4.640 nan 0.000 0.258 226 D C -0.831 175.601 176.300 0.219 0.000 1.259 226 D CA -0.394 53.743 54.000 0.227 0.000 0.921 226 D CB 1.552 42.519 40.800 0.279 0.000 1.201 226 D HN 0.525 8.976 8.370 0.135 0.000 0.524 227 F N 2.163 122.191 119.950 0.130 0.000 2.427 227 F HA 0.255 nan 4.527 nan 0.000 0.352 227 F C -0.415 175.386 175.800 0.003 0.000 1.100 227 F CA -0.156 57.884 58.000 0.067 0.000 1.191 227 F CB 0.840 39.812 39.000 -0.047 0.000 1.128 227 F HN 0.190 8.942 8.300 0.753 0.000 0.533 228 F N 2.063 121.905 119.950 -0.180 0.000 2.389 228 F HA 0.473 nan 4.527 nan 0.000 0.327 228 F C -2.117 173.588 175.800 -0.158 0.000 1.204 228 F CA -3.502 54.366 58.000 -0.219 0.000 1.209 228 F CB -0.639 38.096 39.000 -0.442 0.000 1.460 228 F HN 0.620 9.023 8.300 0.172 0.000 0.537 229 P HA -0.097 nan 4.420 nan 0.000 0.266 229 P C -0.153 177.143 177.300 -0.006 0.000 1.195 229 P CA 0.281 63.396 63.100 0.025 0.000 0.768 229 P CB 0.115 31.768 31.700 -0.079 0.000 0.838 230 N N 1.355 120.051 118.700 -0.007 0.000 2.714 230 N HA -0.551 nan 4.740 nan 0.000 0.250 230 N C -0.124 175.067 175.510 -0.531 0.000 1.117 230 N CA 1.400 54.411 53.050 -0.064 0.000 0.719 230 N CB -1.369 37.155 38.487 0.062 0.000 1.081 230 N HN 0.824 9.254 8.380 0.084 0.000 0.557 231 G N -5.666 102.633 108.800 -0.836 0.000 2.179 231 G HA2 -0.426 nan 3.960 nan 0.000 0.260 231 G HA3 -0.426 nan 3.960 nan 0.000 0.260 231 G C 0.522 175.323 174.900 -0.164 0.000 0.977 231 G CA 0.400 44.871 45.100 -1.047 0.000 0.641 231 G HN 0.370 8.364 8.290 -0.398 0.057 0.533 232 G N -0.628 108.159 108.800 -0.021 0.000 2.420 232 G HA2 -0.442 nan 3.960 nan 0.000 0.221 232 G HA3 -0.442 nan 3.960 nan 0.000 0.221 232 G C 0.095 175.026 174.900 0.051 0.000 1.117 232 G CA 0.757 45.933 45.100 0.126 0.000 0.657 232 G HN 0.510 8.572 8.290 -0.087 0.176 0.512 233 K N 1.469 121.889 120.400 0.035 0.000 2.242 233 K HA 0.022 nan 4.320 nan 0.000 0.200 233 K C 0.103 176.703 176.600 0.000 0.000 1.050 233 K CA 0.801 57.101 56.287 0.022 0.000 0.981 233 K CB 0.688 33.212 32.500 0.041 0.000 0.795 233 K HN -0.506 7.676 8.250 0.012 0.075 0.477 234 Q N -1.786 118.020 119.800 0.011 0.000 2.695 234 Q HA 0.125 nan 4.340 nan 0.000 0.246 234 Q C -0.956 175.071 176.000 0.046 0.000 0.961 234 Q CA -0.926 54.891 55.803 0.023 0.000 0.708 234 Q CB 1.681 30.445 28.738 0.044 0.000 1.282 234 Q HN -0.287 7.986 8.270 0.006 0.000 0.482 235 M N 4.843 124.468 119.600 0.042 0.000 2.238 235 M HA 0.148 nan 4.480 nan 0.000 0.350 235 M C -1.594 174.774 176.300 0.114 0.000 1.321 235 M CA -3.565 51.793 55.300 0.097 0.000 1.097 235 M CB -1.097 31.546 32.600 0.072 0.000 1.713 235 M HN 0.230 8.787 8.290 0.009 -0.261 0.455 236 P HA 0.017 nan 4.420 nan 0.000 0.275 236 P C -0.187 177.218 177.300 0.175 0.000 1.227 236 P CA 0.377 63.570 63.100 0.156 0.000 0.781 236 P CB 0.425 32.230 31.700 0.175 0.000 0.906 237 G N 0.867 109.746 108.800 0.133 0.000 2.144 237 G HA2 -0.219 nan 3.960 nan 0.000 0.218 237 G HA3 -0.219 nan 3.960 nan 0.000 0.218 237 G C 0.016 174.973 174.900 0.096 0.000 0.988 237 G CA 0.169 45.345 45.100 0.128 0.000 0.659 237 G HN 0.317 8.674 8.290 0.112 0.000 0.522 238 c N -0.910 117.734 118.600 0.073 0.000 3.365 238 c HA 0.268 nan 4.570 nan 0.000 0.266 238 c C -1.102 173.009 174.090 0.034 0.000 1.631 238 c CA -0.097 56.256 56.329 0.041 0.000 1.789 238 c CB -0.247 42.270 42.510 0.012 0.000 3.088 238 c HN -0.487 7.737 8.230 0.079 0.054 0.547 239 Q N -1.580 118.249 119.800 0.048 0.000 2.155 239 Q HA 0.109 nan 4.340 nan 0.000 0.220 239 Q C -0.794 175.238 176.000 0.053 0.000 0.819 239 Q CA -0.289 55.540 55.803 0.043 0.000 1.032 239 Q CB -0.263 28.501 28.738 0.044 0.000 1.151 239 Q HN 0.040 8.345 8.270 0.059 0.000 0.487 240 K N 0.114 120.552 120.400 0.063 0.000 2.336 240 K HA -0.133 nan 4.320 nan 0.000 0.262 240 K C -0.491 176.157 176.600 0.081 0.000 0.992 240 K CA 0.291 56.619 56.287 0.068 0.000 0.927 240 K CB 0.376 32.919 32.500 0.072 0.000 0.956 240 K HN -0.373 7.842 8.250 0.064 0.074 0.495 241 N N 1.342 120.085 118.700 0.071 0.000 2.381 241 N HA -0.119 nan 4.740 nan 0.000 0.241 241 N C 1.154 176.726 175.510 0.103 0.000 1.279 241 N CA -0.097 53.000 53.050 0.078 0.000 0.896 241 N CB 0.384 38.903 38.487 0.053 0.000 1.118 241 N HN 0.026 8.441 8.380 0.058 0.000 0.438 242 I N -0.443 120.198 120.570 0.118 0.000 2.127 242 I HA -0.441 nan 4.170 nan 0.000 0.241 242 I C 2.081 178.210 176.117 0.021 0.000 1.075 242 I CA 3.337 64.717 61.300 0.132 0.000 1.334 242 I CB -1.013 37.029 38.000 0.070 0.000 1.040 242 I HN 0.378 8.651 8.210 0.105 0.000 0.405 243 L N -0.425 120.800 121.223 0.003 0.000 2.013 243 L HA -0.365 nan 4.340 nan 0.000 0.212 243 L C 2.604 179.479 176.870 0.008 0.000 1.073 243 L CA 3.514 58.346 54.840 -0.012 0.000 0.753 243 L CB -1.352 40.705 42.059 -0.003 0.000 0.890 243 L HN -0.074 8.168 8.230 0.019 0.000 0.432 244 S N -1.930 113.788 115.700 0.031 0.000 2.428 244 S HA -0.288 nan 4.470 nan 0.000 0.230 244 S C 2.144 176.777 174.600 0.054 0.000 1.014 244 S CA 2.957 61.179 58.200 0.038 0.000 0.957 244 S CB -0.448 62.776 63.200 0.040 0.000 0.784 244 S HN 0.201 8.873 8.310 0.038 -0.339 0.499 245 Q N 0.900 120.750 119.800 0.083 0.000 2.083 245 Q HA -0.154 nan 4.340 nan 0.000 0.198 245 Q C 2.229 178.287 176.000 0.097 0.000 0.969 245 Q CA 2.085 57.957 55.803 0.115 0.000 0.838 245 Q CB -0.034 28.828 28.738 0.206 0.000 0.900 245 Q HN -0.535 7.790 8.270 0.091 0.000 0.436 246 I N -0.490 120.112 120.570 0.054 0.000 2.233 246 I HA -0.332 nan 4.170 nan 0.000 0.243 246 I C 2.124 178.255 176.117 0.022 0.000 1.093 246 I CA 3.759 65.063 61.300 0.006 0.000 1.380 246 I CB 0.767 38.695 38.000 -0.121 0.000 1.067 246 I HN -0.143 8.089 8.210 0.038 0.000 0.413 247 V N -1.402 118.520 119.914 0.014 0.000 3.273 247 V HA -0.096 nan 4.120 nan 0.000 0.379 247 V C -0.385 175.729 176.094 0.033 0.000 1.256 247 V CA -0.890 61.424 62.300 0.023 0.000 1.455 247 V CB -2.902 28.928 31.823 0.012 0.000 1.247 247 V HN -0.403 7.789 8.190 0.004 0.000 0.469 248 D N 1.688 122.114 120.400 0.043 0.000 2.344 248 D HA 0.058 nan 4.640 nan 0.000 0.244 248 D C 0.968 177.294 176.300 0.044 0.000 1.134 248 D CA 0.419 54.445 54.000 0.044 0.000 0.930 248 D CB 2.203 43.033 40.800 0.050 0.000 1.175 248 D HN -0.622 7.684 8.370 0.047 0.092 0.437 249 I N -3.886 116.708 120.570 0.040 0.000 3.241 249 I HA -0.148 nan 4.170 nan 0.000 0.280 249 I C -0.419 175.726 176.117 0.046 0.000 1.320 249 I CA 2.311 63.633 61.300 0.037 0.000 1.413 249 I CB -0.104 37.912 38.000 0.027 0.000 1.060 249 I HN 0.392 8.625 8.210 0.038 0.000 0.500 250 D N -0.620 119.815 120.400 0.057 0.000 2.462 250 D HA 0.100 nan 4.640 nan 0.000 0.221 250 D C 0.533 176.883 176.300 0.083 0.000 1.173 250 D CA 0.044 54.085 54.000 0.069 0.000 0.831 250 D CB -0.135 40.711 40.800 0.076 0.000 1.001 250 D HN -0.429 7.890 8.370 0.056 0.084 0.499 251 G N -0.238 108.609 108.800 0.078 0.000 2.603 251 G HA2 -0.269 nan 3.960 nan 0.000 0.686 251 G HA3 -0.269 nan 3.960 nan 0.000 0.686 251 G C -2.191 172.778 174.900 0.114 0.000 1.286 251 G CA -0.615 44.543 45.100 0.096 0.000 0.871 251 G HN -0.155 8.110 8.290 0.065 0.064 0.568 252 I N -0.616 120.034 120.570 0.134 0.000 3.883 252 I HA 0.214 nan 4.170 nan 0.000 0.326 252 I C 0.416 176.682 176.117 0.249 0.000 1.283 252 I CA -0.172 61.210 61.300 0.137 0.000 1.161 252 I CB -0.073 37.981 38.000 0.090 0.000 1.012 252 I HN 0.292 8.577 8.210 0.124 0.000 0.421 253 W N 0.747 122.064 121.300 0.028 0.000 2.452 253 W HA -0.362 nan 4.660 nan 0.000 0.313 253 W C 0.658 177.214 176.519 0.061 0.000 1.176 253 W CA 2.682 60.049 57.345 0.037 0.000 1.350 253 W CB 0.420 29.899 29.460 0.032 0.000 1.148 253 W HN -0.190 8.156 8.180 0.349 0.043 0.498 254 E N -2.241 117.952 120.200 -0.011 0.000 2.118 254 E HA -0.409 nan 4.350 nan 0.000 0.195 254 E C 2.445 178.991 176.600 -0.091 0.000 0.992 254 E CA 3.476 59.790 56.400 -0.143 0.000 0.804 254 E CB -0.565 29.130 29.700 -0.009 0.000 0.741 254 E HN 0.238 8.690 8.360 0.153 0.000 0.458 255 G N -3.314 105.489 108.800 0.005 0.000 2.511 255 G HA2 -0.130 nan 3.960 nan 0.000 0.217 255 G HA3 -0.130 nan 3.960 nan 0.000 0.217 255 G C 1.220 176.165 174.900 0.075 0.000 1.133 255 G CA 1.558 46.683 45.100 0.042 0.000 0.792 255 G HN -0.255 8.055 8.290 0.048 0.009 0.539 256 T N 1.318 115.900 114.554 0.047 0.000 2.852 256 T HA -0.098 nan 4.350 nan 0.000 0.256 256 T C 2.064 176.783 174.700 0.032 0.000 1.038 256 T CA 2.931 65.102 62.100 0.119 0.000 1.141 256 T CB -0.461 68.525 68.868 0.198 0.000 0.869 256 T HN -0.349 7.763 8.240 0.029 0.145 0.439 257 R N 1.923 122.251 120.500 -0.287 0.000 2.113 257 R HA -0.490 nan 4.340 nan 0.000 0.244 257 R C 2.140 178.362 176.300 -0.131 0.000 1.142 257 R CA 3.795 59.698 56.100 -0.329 0.000 0.953 257 R CB -0.361 29.593 30.300 -0.577 0.000 0.860 257 R HN 0.134 8.121 8.270 -0.473 0.000 0.438 258 D N -1.785 118.563 120.400 -0.087 0.000 2.269 258 D HA -0.190 nan 4.640 nan 0.000 0.208 258 D C 1.947 178.268 176.300 0.036 0.000 0.963 258 D CA 3.806 57.785 54.000 -0.034 0.000 0.864 258 D CB -0.301 40.487 40.800 -0.021 0.000 0.936 258 D HN 0.274 8.466 8.370 -0.111 0.111 0.505 259 F N -0.160 119.767 119.950 -0.039 0.000 2.293 259 F HA -0.275 nan 4.527 nan 0.000 0.300 259 F C 0.680 176.487 175.800 0.013 0.000 1.086 259 F CA 2.642 60.639 58.000 -0.004 0.000 1.375 259 F CB 0.353 39.358 39.000 0.009 0.000 1.045 259 F HN -0.442 7.767 8.300 0.207 0.215 0.516 260 V N -1.121 118.764 119.914 -0.049 0.000 2.436 260 V HA -0.036 nan 4.120 nan 0.000 0.240 260 V C -0.157 175.934 176.094 -0.004 0.000 1.040 260 V CA 1.688 63.947 62.300 -0.067 0.000 1.052 260 V CB 1.212 33.047 31.823 0.020 0.000 0.707 260 V HN -0.368 7.671 8.190 0.034 0.171 0.469 261 A N -3.262 119.568 122.820 0.017 0.000 3.253 261 A HA 0.420 nan 4.320 nan 0.000 0.290 261 A C -0.854 176.744 177.584 0.023 0.000 0.950 261 A CA -0.954 51.152 52.037 0.114 0.000 0.986 261 A CB -0.129 18.944 19.000 0.123 0.000 1.104 261 A HN 0.219 8.354 8.150 -0.025 0.000 0.481 262 c N 1.532 120.109 118.600 -0.039 0.000 2.388 262 c HA -0.446 nan 4.570 nan 0.000 0.277 262 c C 0.932 174.952 174.090 -0.117 0.000 1.210 262 c CA 4.241 60.523 56.329 -0.079 0.000 1.743 262 c CB -0.996 41.480 42.510 -0.057 0.000 2.047 262 c HN -0.029 8.168 8.230 -0.055 0.000 0.458 263 N N -1.036 117.615 118.700 -0.082 0.000 2.120 263 N HA -0.344 nan 4.740 nan 0.000 0.188 263 N C 2.131 177.556 175.510 -0.142 0.000 1.024 263 N CA 3.742 56.727 53.050 -0.109 0.000 0.852 263 N CB -0.616 37.821 38.487 -0.083 0.000 1.003 263 N HN 0.364 8.706 8.380 -0.064 0.000 0.424 264 H N 2.238 121.231 119.070 -0.129 0.000 2.353 264 H HA -0.159 nan 4.556 nan 0.000 0.300 264 H C 2.532 177.767 175.328 -0.155 0.000 1.090 264 H CA 3.398 59.415 56.048 -0.051 0.000 1.327 264 H CB 0.134 29.990 29.762 0.156 0.000 1.383 264 H HN 0.046 8.362 8.280 0.089 0.017 0.508 265 L N -1.706 119.429 121.223 -0.146 0.000 2.313 265 L HA -0.213 nan 4.340 nan 0.000 0.214 265 L C 2.028 178.162 176.870 -1.226 0.000 1.119 265 L CA 2.155 56.588 54.840 -0.679 0.000 0.809 265 L CB -0.514 41.237 42.059 -0.512 0.000 0.933 265 L HN 0.124 8.168 8.230 -0.101 0.125 0.449 266 R N -0.340 119.645 120.500 -0.859 0.000 2.170 266 R HA -0.355 nan 4.340 nan 0.000 0.242 266 R C 2.159 177.629 176.300 -1.382 0.000 1.145 266 R CA 1.990 57.416 56.100 -1.123 0.000 0.984 266 R CB -1.554 28.145 30.300 -1.003 0.000 0.869 266 R HN -0.137 7.665 8.270 -0.578 0.122 0.455 267 S N 0.446 115.553 115.700 -0.988 0.000 2.372 267 S HA -0.345 nan 4.470 nan 0.000 0.227 267 S C 2.165 176.404 174.600 -0.601 0.000 1.044 267 S CA 3.634 61.421 58.200 -0.688 0.000 1.050 267 S CB -0.643 62.314 63.200 -0.405 0.000 0.901 267 S HN -0.152 7.641 8.310 -0.807 0.032 0.447 268 Y N -0.874 119.030 120.300 -0.660 0.000 2.475 268 Y HA 0.052 nan 4.550 nan 0.000 0.289 268 Y C 1.609 177.284 175.900 -0.376 0.000 1.121 268 Y CA 0.137 57.915 58.100 -0.536 0.000 1.257 268 Y CB -1.214 36.680 38.460 -0.943 0.000 1.026 268 Y HN -0.411 7.018 8.280 -1.403 0.009 0.555 269 K N 2.257 122.285 120.400 -0.620 0.000 1.988 269 K HA -0.433 nan 4.320 nan 0.000 0.221 269 K C 2.181 178.540 176.600 -0.402 0.000 1.053 269 K CA 3.590 59.582 56.287 -0.491 0.000 0.959 269 K CB -0.638 31.340 32.500 -0.870 0.000 0.728 269 K HN -0.814 6.659 8.250 -1.193 0.061 0.447 270 Y N -2.776 117.133 120.300 -0.652 0.000 2.207 270 Y HA -0.340 nan 4.550 nan 0.000 0.287 270 Y C 2.639 178.172 175.900 -0.612 0.000 1.156 270 Y CA 0.954 58.657 58.100 -0.662 0.000 1.182 270 Y CB -0.990 37.080 38.460 -0.650 0.000 0.979 270 Y HN 0.117 7.748 8.280 -1.082 0.000 0.521 271 Y N 0.030 120.150 120.300 -0.299 0.000 2.224 271 Y HA -0.528 nan 4.550 nan 0.000 0.289 271 Y C 2.131 177.940 175.900 -0.152 0.000 1.146 271 Y CA 3.331 61.286 58.100 -0.241 0.000 1.182 271 Y CB -0.270 38.090 38.460 -0.167 0.000 0.983 271 Y HN -0.287 7.901 8.280 -0.153 0.000 0.524 272 A N -1.055 121.776 122.820 0.018 0.000 1.873 272 A HA -0.329 nan 4.320 nan 0.000 0.215 272 A C 2.443 180.032 177.584 0.007 0.000 1.186 272 A CA 2.952 55.032 52.037 0.071 0.000 0.616 272 A CB -1.012 18.065 19.000 0.127 0.000 0.823 272 A HN -0.205 7.834 8.150 0.019 0.123 0.442 273 D N -1.236 119.195 120.400 0.051 0.000 2.097 273 D HA -0.236 nan 4.640 nan 0.000 0.197 273 D C 2.525 178.907 176.300 0.137 0.000 0.984 273 D CA 3.144 57.248 54.000 0.173 0.000 0.826 273 D CB -0.292 40.756 40.800 0.413 0.000 0.973 273 D HN -0.386 8.008 8.370 0.041 0.000 0.460 274 S N -0.486 115.167 115.700 -0.078 0.000 2.462 274 S HA -0.271 nan 4.470 nan 0.000 0.243 274 S C 1.679 176.342 174.600 0.105 0.000 1.003 274 S CA 2.926 61.105 58.200 -0.036 0.000 0.970 274 S CB -0.593 62.283 63.200 -0.539 0.000 0.762 274 S HN -0.380 7.732 8.310 -0.330 0.000 0.510 275 I N -0.613 119.922 120.570 -0.058 0.000 2.394 275 I HA -0.302 nan 4.170 nan 0.000 0.251 275 I C 1.182 177.390 176.117 0.150 0.000 1.136 275 I CA 2.418 63.661 61.300 -0.094 0.000 1.425 275 I CB 0.185 38.023 38.000 -0.270 0.000 1.079 275 I HN -0.555 7.413 8.210 -0.128 0.164 0.425 276 L N -2.289 119.017 121.223 0.138 0.000 2.357 276 L HA -0.062 nan 4.340 nan 0.000 0.211 276 L C 0.497 177.461 176.870 0.157 0.000 1.075 276 L CA 1.099 56.023 54.840 0.139 0.000 0.830 276 L CB 0.938 43.064 42.059 0.113 0.000 0.996 276 L HN 0.148 8.318 8.230 0.104 0.122 0.467 277 N N -0.259 118.551 118.700 0.183 0.000 2.918 277 N HA 0.342 nan 4.740 nan 0.000 0.247 277 N C -1.645 173.903 175.510 0.064 0.000 1.117 277 N CA -2.122 51.010 53.050 0.137 0.000 1.005 277 N CB -0.082 38.453 38.487 0.080 0.000 1.297 277 N HN -0.593 7.918 8.380 0.217 0.000 0.513 278 P HA -0.115 nan 4.420 nan 0.000 0.228 278 P C -1.524 175.601 177.300 -0.291 0.000 1.151 278 P CA 1.744 64.559 63.100 -0.475 0.000 0.770 278 P CB 0.084 31.442 31.700 -0.571 0.000 0.786 279 D N -8.072 112.260 120.400 -0.113 0.000 2.520 279 D HA 0.033 nan 4.640 nan 0.000 0.223 279 D C 0.774 176.879 176.300 -0.324 0.000 1.186 279 D CA -0.392 53.562 54.000 -0.077 0.000 0.821 279 D CB -1.145 39.732 40.800 0.129 0.000 1.072 279 D HN -0.219 8.036 8.370 -0.051 0.084 0.518 280 G N -1.821 106.629 108.800 -0.583 0.000 3.181 280 G HA2 0.112 nan 3.960 nan 0.000 0.219 280 G HA3 0.112 nan 3.960 nan 0.000 0.219 280 G C -0.847 173.226 174.900 -1.380 0.000 1.182 280 G CA 0.637 44.834 45.100 -1.505 0.000 0.791 280 G HN -0.311 7.798 8.290 -0.303 0.000 0.537 281 F N -1.700 117.980 119.950 -0.450 0.000 2.936 281 F HA 0.209 nan 4.527 nan 0.000 0.334 281 F C -1.379 174.273 175.800 -0.247 0.000 1.170 281 F CA -2.210 55.599 58.000 -0.318 0.000 1.104 281 F CB 1.934 40.755 39.000 -0.297 0.000 1.216 281 F HN 0.233 8.553 8.300 -0.335 -0.221 0.518 282 A N 1.268 124.001 122.820 -0.144 0.000 2.608 282 A HA -0.290 nan 4.320 nan 0.000 0.246 282 A C -0.590 176.783 177.584 -0.351 0.000 0.998 282 A CA 1.211 53.113 52.037 -0.224 0.000 0.796 282 A CB -0.418 18.470 19.000 -0.186 0.000 0.895 282 A HN -0.586 7.477 8.150 -0.214 -0.042 0.508 283 G N 0.292 108.831 108.800 -0.435 0.000 2.454 283 G HA2 0.570 nan 3.960 nan 0.000 0.329 283 G HA3 0.570 nan 3.960 nan 0.000 0.329 283 G C -1.968 172.560 174.900 -0.619 0.000 1.177 283 G CA -1.323 43.557 45.100 -0.368 0.000 0.951 283 G HN 0.244 8.282 8.290 -0.419 0.000 0.485 284 F N -0.764 119.355 119.950 0.281 0.000 2.507 284 F HA 0.332 nan 4.527 nan 0.000 0.328 284 F C -1.602 174.321 175.800 0.206 0.000 1.136 284 F CA -3.221 54.952 58.000 0.288 0.000 0.930 284 F CB 2.948 42.230 39.000 0.469 0.000 1.166 284 F HN 0.565 8.911 8.300 0.067 -0.005 0.436 285 P HA -0.017 nan 4.420 nan 0.000 0.268 285 P C -1.762 175.605 177.300 0.111 0.000 1.204 285 P CA 0.302 63.368 63.100 -0.057 0.000 0.768 285 P CB 0.213 31.826 31.700 -0.145 0.000 0.842 286 c N 3.115 121.755 118.600 0.067 0.000 3.307 286 c HA 0.115 nan 4.570 nan 0.000 0.333 286 c C -0.664 173.392 174.090 -0.057 0.000 1.291 286 c CA -0.385 55.949 56.329 0.008 0.000 1.273 286 c CB 2.725 45.222 42.510 -0.023 0.000 1.580 286 c HN -0.123 8.152 8.230 0.075 0.000 0.481 287 D N 1.823 122.179 120.400 -0.074 0.000 2.363 287 D HA -0.052 nan 4.640 nan 0.000 0.226 287 D C -1.579 174.662 176.300 -0.099 0.000 1.020 287 D CA 1.631 55.590 54.000 -0.067 0.000 0.892 287 D CB 0.256 41.026 40.800 -0.050 0.000 0.900 287 D HN 0.373 8.705 8.370 -0.063 0.000 0.531 288 S N -5.804 109.764 115.700 -0.220 0.000 2.671 288 S HA -0.038 nan 4.470 nan 0.000 0.270 288 S C -1.688 172.475 174.600 -0.728 0.000 1.166 288 S CA 0.096 58.133 58.200 -0.271 0.000 0.868 288 S CB 0.636 63.752 63.200 -0.140 0.000 1.190 288 S HN -0.922 7.106 8.310 -0.306 0.098 0.494 289 Y N 1.670 121.629 120.300 -0.569 0.000 2.353 289 Y HA 0.096 nan 4.550 nan 0.000 0.294 289 Y C 0.715 176.527 175.900 -0.145 0.000 1.135 289 Y CA 1.663 59.459 58.100 -0.507 0.000 1.176 289 Y CB 0.724 39.147 38.460 -0.062 0.000 1.124 289 Y HN 0.133 8.365 8.280 -0.080 0.000 0.537 290 N N 0.892 119.504 118.700 -0.148 0.000 2.060 290 N HA -0.450 nan 4.740 nan 0.000 0.195 290 N C 1.868 177.273 175.510 -0.174 0.000 1.028 290 N CA 3.793 56.744 53.050 -0.164 0.000 0.861 290 N CB 0.011 38.465 38.487 -0.055 0.000 1.029 290 N HN -0.504 7.872 8.380 -0.006 0.000 0.428 291 V N -0.811 119.016 119.914 -0.144 0.000 2.490 291 V HA -0.317 nan 4.120 nan 0.000 0.250 291 V C 1.630 177.673 176.094 -0.085 0.000 1.061 291 V CA 3.261 65.498 62.300 -0.106 0.000 1.064 291 V CB -0.836 30.934 31.823 -0.088 0.000 0.670 291 V HN 0.030 8.134 8.190 -0.143 0.000 0.461 292 F N -0.751 119.010 119.950 -0.314 0.000 2.084 292 F HA -0.330 nan 4.527 nan 0.000 0.296 292 F C 2.165 177.798 175.800 -0.279 0.000 1.111 292 F CA 3.840 61.680 58.000 -0.267 0.000 1.224 292 F CB 0.197 39.036 39.000 -0.269 0.000 0.991 292 F HN 0.019 8.101 8.300 -0.131 0.139 0.471 293 T N -1.155 113.229 114.554 -0.282 0.000 2.867 293 T HA -0.308 nan 4.350 nan 0.000 0.268 293 T C 1.536 176.094 174.700 -0.238 0.000 1.057 293 T CA 2.710 64.619 62.100 -0.318 0.000 1.136 293 T CB -0.682 67.978 68.868 -0.347 0.000 0.874 293 T HN -0.072 7.947 8.240 -0.369 0.000 0.466 294 A N -0.216 122.488 122.820 -0.194 0.000 2.258 294 A HA -0.003 nan 4.320 nan 0.000 0.206 294 A C -1.307 176.189 177.584 -0.146 0.000 1.222 294 A CA -0.504 51.451 52.037 -0.136 0.000 0.822 294 A CB -0.153 18.788 19.000 -0.099 0.000 0.804 294 A HN 0.082 7.996 8.150 -0.200 0.116 0.483 295 N N -5.605 112.959 118.700 -0.226 0.000 2.754 295 N HA -0.386 nan 4.740 nan 0.000 0.248 295 N C -0.451 174.964 175.510 -0.159 0.000 1.093 295 N CA 1.364 54.266 53.050 -0.247 0.000 0.699 295 N CB -1.136 37.237 38.487 -0.191 0.000 1.016 295 N HN 0.102 8.083 8.380 -0.284 0.229 0.552 296 K N -3.251 117.075 120.400 -0.125 0.000 2.414 296 K HA 0.154 nan 4.320 nan 0.000 0.204 296 K C -1.059 175.530 176.600 -0.018 0.000 1.026 296 K CA 0.159 56.410 56.287 -0.059 0.000 1.108 296 K CB 1.236 33.708 32.500 -0.047 0.000 0.855 296 K HN -0.332 7.817 8.250 -0.143 0.015 0.517 297 c N -1.126 117.466 118.600 -0.013 0.000 3.166 297 c HA 0.141 nan 4.570 nan 0.000 0.277 297 c C -2.154 171.979 174.090 0.072 0.000 0.984 297 c CA -1.353 55.014 56.329 0.063 0.000 1.142 297 c CB -0.724 41.857 42.510 0.119 0.000 1.721 297 c HN -0.200 7.978 8.230 -0.086 0.000 0.628 298 F N 2.684 122.541 119.950 -0.154 0.000 2.629 298 F HA 0.419 nan 4.527 nan 0.000 0.316 298 F C -1.931 173.810 175.800 -0.099 0.000 1.081 298 F CA -3.494 54.346 58.000 -0.266 0.000 0.954 298 F CB 2.766 41.522 39.000 -0.407 0.000 1.337 298 F HN -0.616 7.733 8.300 0.081 0.000 0.474 299 P HA 0.072 nan 4.420 nan 0.000 0.333 299 P C -1.237 175.823 177.300 -0.400 0.000 1.343 299 P CA -0.646 61.446 63.100 -1.679 0.000 0.761 299 P CB 1.010 31.988 31.700 -1.204 0.000 1.701 300 c N -0.121 118.455 118.600 -0.040 0.000 2.637 300 c HA 0.149 nan 4.570 nan 0.000 0.418 300 c C -1.469 172.676 174.090 0.091 0.000 1.319 300 c CA -0.354 56.110 56.329 0.224 0.000 1.949 300 c CB -1.520 41.083 42.510 0.154 0.000 2.639 300 c HN 0.076 8.098 8.230 -0.168 0.107 0.594 301 P HA -0.090 nan 4.420 nan 0.000 0.269 301 P C -0.420 176.937 177.300 0.096 0.000 1.185 301 P CA 0.615 63.781 63.100 0.109 0.000 0.769 301 P CB 0.604 32.396 31.700 0.153 0.000 0.809 302 S N 2.692 118.434 115.700 0.071 0.000 2.419 302 S HA -0.285 nan 4.470 nan 0.000 0.235 302 S C 0.568 175.212 174.600 0.074 0.000 1.019 302 S CA 2.113 60.347 58.200 0.056 0.000 0.982 302 S CB -0.373 62.849 63.200 0.037 0.000 0.789 302 S HN 0.359 8.707 8.310 0.063 0.000 0.490 303 E N 0.196 120.460 120.200 0.108 0.000 2.072 303 E HA -0.008 nan 4.350 nan 0.000 0.190 303 E C 0.420 177.141 176.600 0.200 0.000 0.982 303 E CA 0.007 56.486 56.400 0.132 0.000 0.803 303 E CB 0.230 30.014 29.700 0.140 0.000 0.755 303 E HN -0.030 8.360 8.360 0.118 0.042 0.453 304 G N -1.178 107.765 108.800 0.238 0.000 2.356 304 G HA2 -0.167 nan 3.960 nan 0.000 0.300 304 G HA3 -0.167 nan 3.960 nan 0.000 0.300 304 G C -1.996 172.957 174.900 0.089 0.000 1.331 304 G CA -0.501 44.704 45.100 0.175 0.000 0.905 304 G HN -0.578 7.766 8.290 0.227 0.083 0.587 305 c N 1.810 120.354 118.600 -0.094 0.000 2.341 305 c HA 0.455 nan 4.570 nan 0.000 0.338 305 c C -1.231 172.511 174.090 -0.580 0.000 1.257 305 c CA -3.105 53.019 56.329 -0.341 0.000 1.883 305 c CB 0.969 43.216 42.510 -0.439 0.000 2.334 305 c HN 0.274 8.467 8.230 -0.063 0.000 0.524 306 P HA -0.151 nan 4.420 nan 0.000 0.264 306 P C -1.223 175.904 177.300 -0.289 0.000 1.183 306 P CA -0.031 62.544 63.100 -0.875 0.000 0.763 306 P CB 0.654 31.587 31.700 -1.278 0.000 0.807 307 Q N 0.888 120.609 119.800 -0.132 0.000 2.293 307 Q HA 0.016 nan 4.340 nan 0.000 0.263 307 Q C -0.590 175.293 176.000 -0.195 0.000 1.002 307 Q CA -1.068 54.694 55.803 -0.068 0.000 0.910 307 Q CB -0.120 28.621 28.738 0.005 0.000 1.185 307 Q HN 0.177 8.378 8.270 -0.115 0.000 0.401 308 M N 5.320 124.685 119.600 -0.393 0.000 2.249 308 M HA -0.165 nan 4.480 nan 0.000 0.340 308 M C -0.316 175.521 176.300 -0.772 0.000 1.166 308 M CA 1.864 56.463 55.300 -1.168 0.000 1.115 308 M CB 0.657 32.743 32.600 -0.858 0.000 1.606 308 M HN -0.167 7.941 8.290 -0.140 0.098 0.448 309 G N 2.942 111.267 108.800 -0.791 0.000 2.503 309 G HA2 -0.434 nan 3.960 nan 0.000 0.235 309 G HA3 -0.434 nan 3.960 nan 0.000 0.235 309 G C 0.054 174.659 174.900 -0.492 0.000 1.179 309 G CA 0.160 44.880 45.100 -0.632 0.000 0.944 309 G HN -0.153 7.536 8.290 -1.003 0.000 0.580 310 H N 4.306 122.896 119.070 -0.801 0.000 2.518 310 H HA -0.140 nan 4.556 nan 0.000 0.289 310 H C 1.489 176.508 175.328 -0.514 0.000 1.051 310 H CA 2.916 58.571 56.048 -0.655 0.000 1.280 310 H CB 0.497 29.770 29.762 -0.816 0.000 1.380 310 H HN -0.183 7.659 8.280 -0.731 0.000 0.566 311 Y N -3.847 116.360 120.300 -0.154 0.000 2.531 311 Y HA 0.075 nan 4.550 nan 0.000 0.249 311 Y C -0.081 175.799 175.900 -0.034 0.000 1.168 311 Y CA -1.240 56.811 58.100 -0.082 0.000 1.226 311 Y CB -0.776 37.675 38.460 -0.015 0.000 1.177 311 Y HN -0.454 7.748 8.280 -0.036 0.056 0.527 312 A N 0.662 123.530 122.820 0.079 0.000 2.084 312 A HA -0.375 nan 4.320 nan 0.000 0.221 312 A C 0.854 178.636 177.584 0.331 0.000 1.161 312 A CA 3.302 55.479 52.037 0.234 0.000 0.653 312 A CB -0.879 18.305 19.000 0.306 0.000 0.802 312 A HN -0.463 7.659 8.150 -0.047 0.000 0.457 313 D N -4.063 116.506 120.400 0.282 0.000 2.371 313 D HA -0.187 nan 4.640 nan 0.000 0.221 313 D C 1.228 177.512 176.300 -0.027 0.000 0.986 313 D CA 2.033 56.140 54.000 0.178 0.000 0.899 313 D CB -0.614 40.276 40.800 0.149 0.000 0.902 313 D HN 0.218 8.621 8.370 0.156 0.061 0.530 314 R N -2.427 118.113 120.500 0.068 0.000 2.437 314 R HA 0.087 nan 4.340 nan 0.000 0.257 314 R C -0.298 176.078 176.300 0.127 0.000 0.927 314 R CA -0.979 55.167 56.100 0.075 0.000 1.078 314 R CB 1.124 31.499 30.300 0.125 0.000 1.161 314 R HN -0.494 7.676 8.270 0.126 0.175 0.529 315 F N 3.781 123.691 119.950 -0.067 0.000 2.635 315 F HA -0.089 nan 4.527 nan 0.000 0.379 315 F C -1.197 174.544 175.800 -0.098 0.000 1.094 315 F CA -1.823 56.129 58.000 -0.080 0.000 1.300 315 F CB 0.262 39.197 39.000 -0.108 0.000 1.035 315 F HN -0.638 7.788 8.300 0.210 0.000 0.581 316 P HA -0.018 nan 4.420 nan 0.000 0.217 316 P C 0.087 177.011 177.300 -0.626 0.000 1.154 316 P CA 1.205 64.135 63.100 -0.282 0.000 0.841 316 P CB 0.450 32.067 31.700 -0.138 0.000 0.790 317 G N -1.855 106.128 108.800 -1.361 0.000 3.392 317 G HA2 -0.070 nan 3.960 nan 0.000 0.247 317 G HA3 -0.070 nan 3.960 nan 0.000 0.247 317 G C -0.924 173.425 174.900 -0.919 0.000 1.161 317 G CA -0.375 44.062 45.100 -1.105 0.000 1.739 317 G HN 0.290 7.418 8.290 -1.937 0.000 0.619 318 K N 0.855 120.900 120.400 -0.592 0.000 2.057 318 K HA -0.029 nan 4.320 nan 0.000 0.209 318 K C 1.496 178.069 176.600 -0.044 0.000 1.028 318 K CA 1.822 57.940 56.287 -0.282 0.000 0.950 318 K CB 0.617 32.855 32.500 -0.436 0.000 0.784 318 K HN -0.071 7.821 8.250 -0.496 0.060 0.448 319 T N -3.255 111.272 114.554 -0.046 0.000 3.085 319 T HA 0.016 nan 4.350 nan 0.000 0.263 319 T C 1.577 176.290 174.700 0.022 0.000 1.127 319 T CA 1.680 63.887 62.100 0.178 0.000 1.103 319 T CB -1.071 67.874 68.868 0.129 0.000 0.921 319 T HN 0.211 8.354 8.240 -0.162 0.000 0.510 320 N N 1.134 119.804 118.700 -0.051 0.000 2.586 320 N HA -0.115 nan 4.740 nan 0.000 0.206 320 N C -0.509 174.976 175.510 -0.041 0.000 1.377 320 N CA 0.317 53.326 53.050 -0.067 0.000 0.871 320 N CB -1.648 36.770 38.487 -0.114 0.000 1.107 320 N HN 0.121 8.444 8.380 -0.103 -0.004 0.462 321 G N -2.356 106.426 108.800 -0.029 0.000 2.393 321 G HA2 -0.079 nan 3.960 nan 0.000 0.264 321 G HA3 -0.079 nan 3.960 nan 0.000 0.264 321 G C -2.798 172.062 174.900 -0.067 0.000 1.221 321 G CA 0.060 45.139 45.100 -0.035 0.000 0.912 321 G HN -0.530 7.638 8.290 -0.022 0.109 0.483 322 V N 0.437 120.337 119.914 -0.023 0.000 2.752 322 V HA 0.086 nan 4.120 nan 0.000 0.302 322 V C -1.232 174.894 176.094 0.052 0.000 1.133 322 V CA -0.238 62.051 62.300 -0.018 0.000 0.919 322 V CB 1.854 33.635 31.823 -0.071 0.000 1.026 322 V HN -0.088 8.100 8.190 -0.004 0.000 0.429 323 S N 3.764 119.533 115.700 0.115 0.000 3.695 323 S HA -0.361 nan 4.470 nan 0.000 0.310 323 S C -0.312 174.338 174.600 0.082 0.000 1.166 323 S CA 1.389 59.657 58.200 0.113 0.000 0.882 323 S CB -1.027 62.218 63.200 0.075 0.000 0.949 323 S HN 0.456 8.865 8.310 0.164 0.000 0.540 324 Q N -0.666 119.212 119.800 0.130 0.000 2.263 324 Q HA -0.078 nan 4.340 nan 0.000 0.270 324 Q C -0.865 175.162 176.000 0.045 0.000 1.104 324 Q CA 0.053 55.895 55.803 0.065 0.000 0.909 324 Q CB -0.079 28.839 28.738 0.301 0.000 1.214 324 Q HN -0.325 8.065 8.270 0.199 0.000 0.400 325 V N 0.670 120.465 119.914 -0.198 0.000 2.644 325 V HA 0.544 nan 4.120 nan 0.000 0.295 325 V C -1.988 173.817 176.094 -0.482 0.000 1.053 325 V CA -2.220 59.965 62.300 -0.192 0.000 0.987 325 V CB 1.547 33.184 31.823 -0.309 0.000 1.006 325 V HN -0.037 8.007 8.190 -0.244 0.000 0.472 326 F N 2.045 121.744 119.950 -0.418 0.000 2.601 326 F HA 0.584 nan 4.527 nan 0.000 0.309 326 F C -1.733 173.818 175.800 -0.414 0.000 1.089 326 F CA -1.771 56.032 58.000 -0.330 0.000 0.940 326 F CB 4.538 43.253 39.000 -0.476 0.000 1.273 326 F HN -0.497 7.752 8.300 -0.087 0.000 0.450 327 Y N -0.812 119.468 120.300 -0.034 0.000 2.425 327 Y HA 0.435 nan 4.550 nan 0.000 0.344 327 Y C -1.742 173.994 175.900 -0.272 0.000 0.969 327 Y CA -0.937 57.032 58.100 -0.219 0.000 1.052 327 Y CB 2.653 40.804 38.460 -0.515 0.000 1.215 327 Y HN 0.338 8.722 8.280 0.286 0.068 0.451 328 L N -4.945 116.330 121.223 0.087 0.000 2.409 328 L HA 0.512 nan 4.340 nan 0.000 0.255 328 L C -2.278 174.773 176.870 0.302 0.000 1.027 328 L CA -1.529 53.467 54.840 0.260 0.000 0.834 328 L CB 3.458 45.631 42.059 0.190 0.000 1.426 328 L HN 0.028 8.329 8.230 0.118 0.000 0.411 329 N N -0.256 118.668 118.700 0.374 0.000 2.370 329 N HA 0.239 nan 4.740 nan 0.000 0.303 329 N C -1.646 173.935 175.510 0.119 0.000 1.103 329 N CA -0.367 52.852 53.050 0.282 0.000 0.848 329 N CB 3.076 41.782 38.487 0.364 0.000 1.235 329 N HN 0.308 8.939 8.380 0.419 0.000 0.496 330 T N -4.313 110.282 114.554 0.068 0.000 2.888 330 T HA 0.363 nan 4.350 nan 0.000 0.288 330 T C -0.222 174.562 174.700 0.140 0.000 1.063 330 T CA -2.133 59.977 62.100 0.016 0.000 1.010 330 T CB 3.053 71.789 68.868 -0.220 0.000 1.214 330 T HN -0.333 7.971 8.240 0.107 0.000 0.533 331 G N 0.004 108.934 108.800 0.217 0.000 2.583 331 G HA2 -0.100 nan 3.960 nan 0.000 0.275 331 G HA3 -0.100 nan 3.960 nan 0.000 0.275 331 G C -0.844 174.222 174.900 0.277 0.000 1.342 331 G CA -0.306 44.907 45.100 0.187 0.000 1.030 331 G HN 0.169 8.500 8.290 0.266 0.119 0.520 332 D N -4.840 115.636 120.400 0.126 0.000 2.433 332 D HA 0.041 nan 4.640 nan 0.000 0.211 332 D C -1.164 175.173 176.300 0.062 0.000 1.114 332 D CA -0.235 53.868 54.000 0.173 0.000 0.837 332 D CB 0.766 41.636 40.800 0.116 0.000 0.984 332 D HN 0.295 8.677 8.370 0.019 0.000 0.505 333 A N -2.010 120.621 122.820 -0.315 0.000 2.493 333 A HA 0.175 nan 4.320 nan 0.000 0.300 333 A C -1.853 175.055 177.584 -1.128 0.000 1.152 333 A CA -0.282 51.413 52.037 -0.569 0.000 0.643 333 A CB 2.014 20.897 19.000 -0.195 0.000 1.316 333 A HN -0.806 7.073 8.150 -0.374 0.046 0.469 334 S N -1.277 114.023 115.700 -0.667 0.000 2.743 334 S HA 0.007 nan 4.470 nan 0.000 0.230 334 S C -0.917 173.543 174.600 -0.234 0.000 0.950 334 S CA 0.462 58.331 58.200 -0.553 0.000 0.976 334 S CB -0.561 62.637 63.200 -0.004 0.000 0.779 334 S HN 0.001 8.113 8.310 -0.330 0.000 0.487 335 N N 0.127 118.660 118.700 -0.279 0.000 2.408 335 N HA 0.147 nan 4.740 nan 0.000 0.280 335 N C -1.264 174.136 175.510 -0.183 0.000 1.002 335 N CA -0.349 52.648 53.050 -0.088 0.000 0.907 335 N CB 1.151 39.662 38.487 0.040 0.000 1.161 335 N HN -0.935 7.249 8.380 -0.295 0.019 0.488 336 F N 3.473 123.523 119.950 0.166 0.000 2.720 336 F HA 0.109 nan 4.527 nan 0.000 0.301 336 F C 0.121 175.838 175.800 -0.139 0.000 1.103 336 F CA 0.104 58.194 58.000 0.149 0.000 1.291 336 F CB 1.044 40.251 39.000 0.345 0.000 1.086 336 F HN 0.292 8.968 8.300 0.483 -0.086 0.592 337 A N -0.015 122.662 122.820 -0.239 0.000 2.580 337 A HA -0.187 nan 4.320 nan 0.000 0.244 337 A C -0.785 176.427 177.584 -0.621 0.000 1.045 337 A CA 1.396 52.834 52.037 -0.998 0.000 0.761 337 A CB -0.056 18.443 19.000 -0.835 0.000 0.962 337 A HN 0.241 8.782 8.150 0.059 -0.355 0.512 338 R N 2.366 122.391 120.500 -0.792 0.000 2.867 338 R HA 0.668 nan 4.340 nan 0.000 0.268 338 R C -2.008 174.166 176.300 -0.211 0.000 1.014 338 R CA -2.142 53.861 56.100 -0.162 0.000 0.946 338 R CB 4.299 34.575 30.300 -0.040 0.000 1.208 338 R HN 0.235 7.787 8.270 -1.197 0.000 0.477 339 W N -1.021 120.237 121.300 -0.071 0.000 2.802 339 W HA 0.121 nan 4.660 nan 0.000 0.331 339 W C -2.102 174.289 176.519 -0.213 0.000 1.021 339 W CA -1.009 56.252 57.345 -0.141 0.000 1.259 339 W CB 3.038 32.399 29.460 -0.165 0.000 1.323 339 W HN 0.423 8.894 8.180 0.485 0.000 0.432 340 R N 4.807 125.334 120.500 0.044 0.000 2.340 340 R HA 0.253 nan 4.340 nan 0.000 0.300 340 R C -1.428 174.662 176.300 -0.350 0.000 1.069 340 R CA 0.216 56.244 56.100 -0.120 0.000 0.984 340 R CB 0.909 31.202 30.300 -0.011 0.000 1.003 340 R HN 0.149 8.517 8.270 0.164 0.000 0.459 341 Y N 4.429 124.367 120.300 -0.602 0.000 2.512 341 Y HA 0.389 nan 4.550 nan 0.000 0.348 341 Y C -1.969 173.234 175.900 -1.162 0.000 0.990 341 Y CA -1.466 56.216 58.100 -0.698 0.000 1.033 341 Y CB 4.226 42.355 38.460 -0.551 0.000 1.259 341 Y HN 0.239 8.131 8.280 -0.646 0.000 0.461 342 K N 1.584 121.530 120.400 -0.757 0.000 2.206 342 K HA 0.717 nan 4.320 nan 0.000 0.264 342 K C -2.056 174.395 176.600 -0.248 0.000 0.967 342 K CA -1.316 54.588 56.287 -0.637 0.000 0.844 342 K CB 2.416 34.565 32.500 -0.585 0.000 1.099 342 K HN 0.640 8.643 8.250 -0.411 0.000 0.441 343 V N 7.080 126.904 119.914 -0.149 0.000 2.531 343 V HA 0.670 nan 4.120 nan 0.000 0.301 343 V C -1.981 174.176 176.094 0.105 0.000 1.034 343 V CA -1.471 60.871 62.300 0.070 0.000 0.865 343 V CB 3.441 35.415 31.823 0.252 0.000 0.995 343 V HN 1.019 9.089 8.190 -0.200 0.000 0.424 344 S N 6.922 122.691 115.700 0.116 0.000 2.478 344 S HA 0.822 nan 4.470 nan 0.000 0.312 344 S C -1.350 173.331 174.600 0.134 0.000 1.094 344 S CA -1.662 56.606 58.200 0.113 0.000 1.081 344 S CB 1.546 64.790 63.200 0.074 0.000 1.007 344 S HN 0.169 8.553 8.310 0.123 0.000 0.475 345 V N 3.854 123.859 119.914 0.151 0.000 2.555 345 V HA 0.622 nan 4.120 nan 0.000 0.302 345 V C -1.077 175.054 176.094 0.062 0.000 1.038 345 V CA -1.188 61.197 62.300 0.141 0.000 0.887 345 V CB 2.940 34.913 31.823 0.250 0.000 0.991 345 V HN 0.955 9.247 8.190 0.170 0.000 0.434 346 T N 8.298 122.849 114.554 -0.005 0.000 2.779 346 T HA 0.721 nan 4.350 nan 0.000 0.280 346 T C -1.020 173.611 174.700 -0.115 0.000 0.987 346 T CA -0.802 61.259 62.100 -0.066 0.000 0.966 346 T CB 0.764 69.592 68.868 -0.067 0.000 0.933 346 T HN 0.593 8.830 8.240 -0.005 0.000 0.442 347 L N 5.705 126.853 121.223 -0.124 0.000 2.312 347 L HA 0.526 nan 4.340 nan 0.000 0.281 347 L C -0.767 176.010 176.870 -0.155 0.000 1.070 347 L CA -0.917 53.833 54.840 -0.150 0.000 0.805 347 L CB 0.754 42.758 42.059 -0.093 0.000 1.174 347 L HN 0.138 8.291 8.230 -0.129 0.000 0.434 348 S N 1.276 116.865 115.700 -0.184 0.000 2.801 348 S HA 0.474 nan 4.470 nan 0.000 0.312 348 S C -0.217 174.299 174.600 -0.140 0.000 1.112 348 S CA -1.196 56.919 58.200 -0.141 0.000 0.943 348 S CB 2.511 65.633 63.200 -0.130 0.000 1.269 348 S HN 0.682 8.695 8.310 -0.248 0.148 0.558 349 G N 0.038 108.776 108.800 -0.103 0.000 2.527 349 G HA2 -0.297 nan 3.960 nan 0.000 0.227 349 G HA3 -0.297 nan 3.960 nan 0.000 0.227 349 G C -1.671 173.175 174.900 -0.090 0.000 1.291 349 G CA -0.149 44.896 45.100 -0.092 0.000 0.904 349 G HN 0.142 8.380 8.290 -0.086 0.000 0.577 350 K N 0.869 121.211 120.400 -0.098 0.000 2.466 350 K HA 0.214 nan 4.320 nan 0.000 0.260 350 K C -0.757 175.784 176.600 -0.100 0.000 1.011 350 K CA -2.444 53.794 56.287 -0.082 0.000 0.871 350 K CB 3.385 35.856 32.500 -0.047 0.000 1.404 350 K HN -0.232 7.949 8.250 -0.115 0.000 0.450 351 K N 0.854 121.211 120.400 -0.071 0.000 2.438 351 K HA -0.251 nan 4.320 nan 0.000 0.270 351 K C -1.547 175.016 176.600 -0.060 0.000 1.095 351 K CA 1.131 57.382 56.287 -0.059 0.000 1.174 351 K CB 0.015 32.496 32.500 -0.032 0.000 0.830 351 K HN 0.184 8.399 8.250 -0.057 0.000 0.487 352 V N 6.190 126.054 119.914 -0.084 0.000 3.159 352 V HA 0.410 nan 4.120 nan 0.000 0.308 352 V C -2.382 173.703 176.094 -0.014 0.000 1.190 352 V CA -1.904 60.357 62.300 -0.064 0.000 1.037 352 V CB 5.205 36.897 31.823 -0.219 0.000 1.060 352 V HN 0.187 8.206 8.190 -0.089 0.118 0.437 353 T N 1.762 116.350 114.554 0.057 0.000 2.823 353 T HA 0.788 nan 4.350 nan 0.000 0.279 353 T C -1.365 173.411 174.700 0.128 0.000 0.998 353 T CA -2.274 59.868 62.100 0.070 0.000 0.994 353 T CB 1.330 70.235 68.868 0.062 0.000 0.960 353 T HN 0.060 8.355 8.240 0.093 0.000 0.448 354 G N 3.352 112.197 108.800 0.075 0.000 2.343 354 G HA2 0.052 nan 3.960 nan 0.000 0.289 354 G HA3 0.052 nan 3.960 nan 0.000 0.289 354 G C -3.014 171.861 174.900 -0.041 0.000 1.295 354 G CA 0.942 46.111 45.100 0.114 0.000 0.869 354 G HN 0.584 8.887 8.290 0.020 0.000 0.522 355 H N -0.085 118.790 119.070 -0.324 0.000 2.472 355 H HA 0.800 nan 4.556 nan 0.000 0.338 355 H C -0.038 175.146 175.328 -0.241 0.000 1.133 355 H CA -1.185 54.620 56.048 -0.405 0.000 1.216 355 H CB 2.099 31.384 29.762 -0.795 0.000 1.497 355 H HN -0.445 7.791 8.280 -0.074 0.000 0.500 356 I N -2.253 118.320 120.570 0.005 0.000 2.924 356 I HA 0.884 nan 4.170 nan 0.000 0.316 356 I C -1.616 174.448 176.117 -0.088 0.000 1.014 356 I CA -1.513 59.747 61.300 -0.066 0.000 1.106 356 I CB 2.091 40.168 38.000 0.128 0.000 1.311 356 I HN 0.310 8.530 8.210 0.015 0.000 0.502 357 L N -0.509 120.602 121.223 -0.187 0.000 2.847 357 L HA 0.286 nan 4.340 nan 0.000 0.261 357 L C -2.373 174.427 176.870 -0.116 0.000 0.926 357 L CA 0.584 55.350 54.840 -0.124 0.000 1.010 357 L CB 3.429 45.418 42.059 -0.117 0.000 1.538 357 L HN -0.288 7.701 8.230 -0.401 0.000 0.465 358 V N 4.209 124.097 119.914 -0.044 0.000 2.914 358 V HA 0.739 nan 4.120 nan 0.000 0.314 358 V C -2.136 173.930 176.094 -0.047 0.000 1.084 358 V CA -2.311 60.007 62.300 0.030 0.000 0.963 358 V CB 3.888 35.795 31.823 0.141 0.000 1.025 358 V HN 0.801 8.946 8.190 -0.074 0.000 0.432 359 S N 1.969 117.676 115.700 0.012 0.000 2.548 359 S HA 0.507 nan 4.470 nan 0.000 0.276 359 S C -2.074 172.503 174.600 -0.038 0.000 1.129 359 S CA -1.744 56.419 58.200 -0.061 0.000 0.931 359 S CB 2.573 65.737 63.200 -0.060 0.000 1.068 359 S HN 0.135 8.496 8.310 0.085 0.000 0.480 360 L N 2.409 123.477 121.223 -0.258 0.000 2.334 360 L HA 0.839 nan 4.340 nan 0.000 0.275 360 L C -1.406 175.121 176.870 -0.571 0.000 1.036 360 L CA -0.678 53.996 54.840 -0.276 0.000 0.807 360 L CB 1.387 43.242 42.059 -0.339 0.000 1.231 360 L HN -0.088 7.962 8.230 -0.300 0.000 0.438 361 F N -0.157 119.645 119.950 -0.246 0.000 2.556 361 F HA 0.665 nan 4.527 nan 0.000 0.314 361 F C -0.897 174.799 175.800 -0.174 0.000 1.106 361 F CA -1.525 56.368 58.000 -0.178 0.000 0.911 361 F CB 3.957 42.867 39.000 -0.149 0.000 1.190 361 F HN 0.164 8.443 8.300 -0.034 0.000 0.448 362 G N 0.620 109.400 108.800 -0.033 0.000 2.682 362 G HA2 0.328 nan 3.960 nan 0.000 0.290 362 G HA3 0.328 nan 3.960 nan 0.000 0.290 362 G C -1.090 173.805 174.900 -0.009 0.000 1.425 362 G CA -0.681 44.395 45.100 -0.040 0.000 0.807 362 G HN 0.226 8.479 8.290 -0.061 0.000 0.482 363 N N -0.782 117.923 118.700 0.008 0.000 2.443 363 N HA -0.282 nan 4.740 nan 0.000 0.184 363 N C 0.529 176.042 175.510 0.004 0.000 1.037 363 N CA 2.500 55.562 53.050 0.020 0.000 0.896 363 N CB -0.079 38.430 38.487 0.037 0.000 0.959 363 N HN 0.193 8.577 8.380 0.008 0.000 0.442 364 E N -1.435 118.753 120.200 -0.020 0.000 2.127 364 E HA 0.138 nan 4.350 nan 0.000 0.191 364 E C -0.066 176.500 176.600 -0.057 0.000 0.964 364 E CA 0.670 57.048 56.400 -0.037 0.000 0.832 364 E CB 1.180 30.844 29.700 -0.061 0.000 0.790 364 E HN -0.049 8.234 8.360 -0.029 0.060 0.465 365 G N -1.454 107.297 108.800 -0.082 0.000 2.335 365 G HA2 -0.059 nan 3.960 nan 0.000 0.291 365 G HA3 -0.059 nan 3.960 nan 0.000 0.291 365 G C -3.154 171.632 174.900 -0.190 0.000 1.261 365 G CA -0.101 44.935 45.100 -0.105 0.000 0.871 365 G HN -0.700 7.539 8.290 -0.085 0.000 0.491 366 N N -2.247 116.291 118.700 -0.270 0.000 2.405 366 N HA 0.628 nan 4.740 nan 0.000 0.285 366 N C -1.583 173.673 175.510 -0.424 0.000 1.262 366 N CA -1.088 51.646 53.050 -0.527 0.000 0.773 366 N CB 3.383 41.301 38.487 -0.949 0.000 1.490 366 N HN -0.126 8.129 8.380 -0.209 0.000 0.486 367 S N -0.398 115.008 115.700 -0.491 0.000 2.718 367 S HA 0.287 nan 4.470 nan 0.000 0.300 367 S C -0.505 173.929 174.600 -0.276 0.000 1.117 367 S CA -1.214 56.839 58.200 -0.244 0.000 1.002 367 S CB 2.579 65.715 63.200 -0.107 0.000 1.092 367 S HN 0.181 8.040 8.310 -0.751 0.000 0.542 368 R N -0.163 120.192 120.500 -0.242 0.000 3.064 368 R HA -0.148 nan 4.340 nan 0.000 0.280 368 R C -0.871 175.116 176.300 -0.523 0.000 1.182 368 R CA 0.626 56.472 56.100 -0.424 0.000 1.155 368 R CB 0.285 30.209 30.300 -0.626 0.000 1.112 368 R HN 0.227 8.441 8.270 -0.094 0.000 0.564 369 Q N -1.554 117.919 119.800 -0.545 0.000 2.398 369 Q HA 0.179 nan 4.340 nan 0.000 0.251 369 Q C -0.675 174.940 176.000 -0.642 0.000 0.999 369 Q CA -0.615 54.922 55.803 -0.443 0.000 0.874 369 Q CB 0.654 29.238 28.738 -0.257 0.000 1.215 369 Q HN 0.110 8.058 8.270 -0.536 0.000 0.470 370 Y N 5.193 125.228 120.300 -0.442 0.000 2.326 370 Y HA 0.031 nan 4.550 nan 0.000 0.337 370 Y C -0.452 175.261 175.900 -0.312 0.000 1.023 370 Y CA -0.904 56.891 58.100 -0.509 0.000 1.143 370 Y CB 0.890 38.626 38.460 -1.207 0.000 1.183 370 Y HN 0.487 8.487 8.280 -0.468 0.000 0.485 371 E N 4.656 124.837 120.200 -0.032 0.000 2.516 371 E HA -0.181 nan 4.350 nan 0.000 0.270 371 E C -0.730 175.921 176.600 0.085 0.000 1.130 371 E CA 1.846 58.264 56.400 0.030 0.000 1.023 371 E CB 0.306 30.046 29.700 0.066 0.000 1.004 371 E HN 0.579 8.915 8.360 -0.040 0.000 0.463 372 I N -0.572 120.057 120.570 0.098 0.000 4.676 372 I HA 0.143 nan 4.170 nan 0.000 0.306 372 I C -1.409 174.794 176.117 0.143 0.000 1.178 372 I CA -0.011 61.386 61.300 0.162 0.000 1.335 372 I CB 2.598 40.724 38.000 0.209 0.000 1.541 372 I HN -0.064 8.184 8.210 0.064 0.000 0.469 373 Y N -0.932 119.336 120.300 -0.053 0.000 2.670 373 Y HA 0.116 nan 4.550 nan 0.000 0.334 373 Y C -2.608 173.172 175.900 -0.200 0.000 1.185 373 Y CA -1.188 56.796 58.100 -0.194 0.000 1.053 373 Y CB 3.558 41.761 38.460 -0.429 0.000 1.298 373 Y HN -0.904 7.428 8.280 0.086 0.000 0.459 374 K N 2.677 122.191 120.400 -1.478 0.000 2.571 374 K HA 0.429 nan 4.320 nan 0.000 0.252 374 K C -1.834 174.093 176.600 -1.122 0.000 0.956 374 K CA -0.774 54.883 56.287 -1.052 0.000 0.822 374 K CB 2.454 34.358 32.500 -0.993 0.000 1.286 374 K HN 0.038 6.780 8.250 -2.513 0.000 0.439 375 G N 4.073 112.585 108.800 -0.480 0.000 2.441 375 G HA2 -0.057 nan 3.960 nan 0.000 0.222 375 G HA3 -0.057 nan 3.960 nan 0.000 0.222 375 G C -2.219 172.748 174.900 0.111 0.000 1.254 375 G CA 1.038 46.061 45.100 -0.128 0.000 0.959 375 G HN 0.626 8.737 8.290 -0.297 0.000 0.474 376 T N 4.757 119.419 114.554 0.179 0.000 2.933 376 T HA 0.042 nan 4.350 nan 0.000 0.263 376 T C 0.401 175.200 174.700 0.164 0.000 0.925 376 T CA 1.910 64.087 62.100 0.129 0.000 1.156 376 T CB -1.428 67.493 68.868 0.088 0.000 0.916 376 T HN 0.136 8.488 8.240 0.186 0.000 0.601 377 L N 6.764 128.058 121.223 0.118 0.000 2.426 377 L HA 0.046 nan 4.340 nan 0.000 0.271 377 L C -1.006 175.851 176.870 -0.022 0.000 1.169 377 L CA 0.572 55.453 54.840 0.068 0.000 0.836 377 L CB 0.677 42.723 42.059 -0.021 0.000 1.112 377 L HN 0.325 8.601 8.230 0.077 0.000 0.465 378 Q N -1.925 117.846 119.800 -0.048 0.000 2.617 378 Q HA 0.255 nan 4.340 nan 0.000 0.270 378 Q C -2.782 173.156 176.000 -0.103 0.000 0.967 378 Q CA -2.638 53.118 55.803 -0.078 0.000 0.887 378 Q CB 1.529 30.233 28.738 -0.057 0.000 1.516 378 Q HN 0.074 8.321 8.270 -0.038 0.000 0.395 379 P HA -0.046 nan 4.420 nan 0.000 0.276 379 P C -1.111 176.123 177.300 -0.111 0.000 1.230 379 P CA 0.818 63.854 63.100 -0.108 0.000 0.776 379 P CB 0.121 31.765 31.700 -0.093 0.000 0.888 380 D N -0.595 119.732 120.400 -0.122 0.000 2.075 380 D HA -0.381 nan 4.640 nan 0.000 0.168 380 D C -0.716 175.492 176.300 -0.153 0.000 1.113 380 D CA 1.677 55.606 54.000 -0.118 0.000 1.082 380 D CB -0.793 39.950 40.800 -0.095 0.000 1.171 380 D HN 0.712 8.894 8.370 -0.127 0.111 0.531 381 N N 1.677 120.252 118.700 -0.209 0.000 2.454 381 N HA -0.083 nan 4.740 nan 0.000 0.260 381 N C -0.810 174.490 175.510 -0.350 0.000 1.218 381 N CA 1.412 54.261 53.050 -0.335 0.000 0.904 381 N CB 0.691 38.868 38.487 -0.516 0.000 1.065 381 N HN -0.469 7.705 8.380 -0.191 0.091 0.462 382 T N 4.267 118.636 114.554 -0.308 0.000 2.799 382 T HA 0.426 nan 4.350 nan 0.000 0.286 382 T C -0.769 173.775 174.700 -0.260 0.000 0.973 382 T CA -0.178 61.797 62.100 -0.210 0.000 1.035 382 T CB 0.946 69.750 68.868 -0.107 0.000 0.932 382 T HN 0.282 8.362 8.240 -0.268 0.000 0.469 383 H N 6.846 125.871 119.070 -0.074 0.000 2.622 383 H HA 0.376 nan 4.556 nan 0.000 0.363 383 H C -1.869 173.468 175.328 0.015 0.000 1.151 383 H CA -1.190 54.810 56.048 -0.080 0.000 1.184 383 H CB 3.842 33.519 29.762 -0.142 0.000 1.643 383 H HN 0.999 9.191 8.280 0.033 0.107 0.531 384 S N 0.508 116.314 115.700 0.178 0.000 2.618 384 S HA 0.593 nan 4.470 nan 0.000 0.277 384 S C -2.095 172.556 174.600 0.085 0.000 1.138 384 S CA -1.002 57.264 58.200 0.111 0.000 0.844 384 S CB 2.387 65.618 63.200 0.052 0.000 1.127 384 S HN 0.027 8.451 8.310 0.190 0.000 0.474 385 D N 0.140 120.566 120.400 0.044 0.000 2.742 385 D HA 0.389 nan 4.640 nan 0.000 0.262 385 D C -2.717 173.510 176.300 -0.120 0.000 1.240 385 D CA 0.011 54.007 54.000 -0.007 0.000 0.752 385 D CB 3.669 44.516 40.800 0.079 0.000 1.290 385 D HN 0.523 8.920 8.370 0.045 0.000 0.420 386 E N -2.268 117.786 120.200 -0.244 0.000 2.288 386 E HA 0.967 nan 4.350 nan 0.000 0.268 386 E C -1.527 174.872 176.600 -0.335 0.000 0.885 386 E CA -1.565 54.528 56.400 -0.512 0.000 0.767 386 E CB 3.626 32.867 29.700 -0.766 0.000 1.220 386 E HN 0.150 8.614 8.360 -0.206 -0.228 0.427 387 F N -3.776 116.010 119.950 -0.274 0.000 2.626 387 F HA 0.352 nan 4.527 nan 0.000 0.311 387 F C -2.467 173.140 175.800 -0.321 0.000 1.088 387 F CA -2.416 55.413 58.000 -0.285 0.000 0.949 387 F CB 2.426 41.227 39.000 -0.331 0.000 1.322 387 F HN 0.371 7.987 8.300 -1.140 0.000 0.461 388 D N 1.598 121.990 120.400 -0.013 0.000 2.505 388 D HA 0.094 nan 4.640 nan 0.000 0.242 388 D C -0.956 175.352 176.300 0.013 0.000 1.136 388 D CA -0.324 53.692 54.000 0.026 0.000 0.954 388 D CB -0.826 40.031 40.800 0.096 0.000 1.002 388 D HN 0.072 8.442 8.370 0.000 0.000 0.512 389 S N 1.971 117.715 115.700 0.074 0.000 2.552 389 S HA -0.219 nan 4.470 nan 0.000 0.289 389 S C 0.852 175.664 174.600 0.354 0.000 1.304 389 S CA 0.500 58.792 58.200 0.153 0.000 1.063 389 S CB 0.863 64.337 63.200 0.456 0.000 0.848 389 S HN -0.034 8.394 8.310 0.197 0.000 0.499 390 D N 5.761 126.392 120.400 0.385 0.000 2.325 390 D HA 0.088 nan 4.640 nan 0.000 0.234 390 D C -0.218 176.207 176.300 0.208 0.000 1.122 390 D CA -0.126 54.078 54.000 0.339 0.000 0.850 390 D CB -0.150 40.798 40.800 0.246 0.000 0.921 390 D HN 0.046 8.726 8.370 0.518 0.000 0.513 391 V N -1.088 118.869 119.914 0.072 0.000 2.638 391 V HA 0.148 nan 4.120 nan 0.000 0.306 391 V C -1.467 174.348 176.094 -0.464 0.000 1.052 391 V CA -1.699 60.465 62.300 -0.226 0.000 0.885 391 V CB 2.774 34.512 31.823 -0.142 0.000 0.999 391 V HN -0.127 8.075 8.190 0.184 0.099 0.424 392 E N 5.297 124.883 120.200 -1.024 0.000 2.052 392 E HA 0.109 nan 4.350 nan 0.000 0.283 392 E C 0.343 176.721 176.600 -0.371 0.000 1.071 392 E CA -0.154 55.678 56.400 -0.947 0.000 0.851 392 E CB 0.186 28.970 29.700 -1.526 0.000 1.066 392 E HN 0.119 7.807 8.360 -1.120 0.000 0.396 393 V N 0.719 120.555 119.914 -0.131 0.000 2.667 393 V HA 0.069 nan 4.120 nan 0.000 0.252 393 V C -0.323 175.725 176.094 -0.077 0.000 1.065 393 V CA 0.653 62.869 62.300 -0.140 0.000 1.083 393 V CB 0.148 31.842 31.823 -0.214 0.000 0.692 393 V HN 0.262 8.492 8.190 0.066 0.000 0.468 394 G N 0.459 109.260 108.800 0.002 0.000 2.503 394 G HA2 -0.454 nan 3.960 nan 0.000 0.235 394 G HA3 -0.454 nan 3.960 nan 0.000 0.235 394 G C -1.708 173.237 174.900 0.076 0.000 1.179 394 G CA -0.419 44.706 45.100 0.041 0.000 0.944 394 G HN -0.728 7.644 8.290 0.084 -0.031 0.580 395 D N 4.451 124.895 120.400 0.073 0.000 2.336 395 D HA 0.187 nan 4.640 nan 0.000 0.249 395 D C -0.171 176.077 176.300 -0.086 0.000 1.213 395 D CA 0.363 54.416 54.000 0.089 0.000 0.870 395 D CB 0.815 41.722 40.800 0.178 0.000 1.076 395 D HN -0.037 8.694 8.370 0.065 -0.322 0.483 396 L N 4.347 125.315 121.223 -0.425 0.000 2.525 396 L HA -0.241 nan 4.340 nan 0.000 0.278 396 L C -0.287 176.567 176.870 -0.027 0.000 1.218 396 L CA 1.611 56.255 54.840 -0.327 0.000 0.878 396 L CB -0.069 41.687 42.059 -0.505 0.000 1.127 396 L HN 0.439 8.173 8.230 -0.827 0.000 0.492 397 Q N 3.234 123.076 119.800 0.069 0.000 2.462 397 Q HA 0.075 nan 4.340 nan 0.000 0.224 397 Q C -0.076 176.079 176.000 0.259 0.000 0.911 397 Q CA 0.830 56.737 55.803 0.174 0.000 0.925 397 Q CB 1.891 30.692 28.738 0.105 0.000 1.063 397 Q HN 0.705 8.872 8.270 0.013 0.111 0.572 398 K N -4.010 116.391 120.400 0.002 0.000 2.469 398 K HA 0.654 nan 4.320 nan 0.000 0.268 398 K C -2.145 174.112 176.600 -0.572 0.000 1.027 398 K CA -1.534 54.604 56.287 -0.248 0.000 0.893 398 K CB 4.326 36.733 32.500 -0.156 0.000 1.460 398 K HN -0.531 7.714 8.250 -0.009 0.000 0.449 399 V N -6.842 112.699 119.914 -0.622 0.000 3.167 399 V HA 0.857 nan 4.120 nan 0.000 0.310 399 V C -1.885 174.145 176.094 -0.106 0.000 1.207 399 V CA -2.846 59.291 62.300 -0.272 0.000 1.059 399 V CB 3.482 35.062 31.823 -0.405 0.000 1.079 399 V HN -0.199 7.665 8.190 -0.543 0.000 0.446 400 K N -1.781 118.657 120.400 0.064 0.000 2.444 400 K HA 0.820 nan 4.320 nan 0.000 0.252 400 K C -2.212 174.507 176.600 0.198 0.000 0.993 400 K CA -1.581 54.758 56.287 0.087 0.000 0.847 400 K CB 4.617 37.145 32.500 0.046 0.000 1.340 400 K HN 0.087 8.428 8.250 0.151 0.000 0.446 401 F N 0.470 120.446 119.950 0.044 0.000 2.588 401 F HA 0.853 nan 4.527 nan 0.000 0.314 401 F C -2.468 173.399 175.800 0.111 0.000 1.069 401 F CA -1.567 56.482 58.000 0.082 0.000 0.931 401 F CB 4.352 43.405 39.000 0.088 0.000 1.260 401 F HN 0.199 8.665 8.300 0.276 0.000 0.465 402 I N 0.849 121.061 120.570 -0.597 0.000 2.771 402 I HA 0.287 nan 4.170 nan 0.000 0.291 402 I C -3.490 172.412 176.117 -0.358 0.000 1.527 402 I CA -0.437 60.691 61.300 -0.287 0.000 1.024 402 I CB 3.478 41.409 38.000 -0.115 0.000 1.388 402 I HN 0.183 7.782 8.210 -1.020 0.000 0.447 403 W N 2.726 123.846 121.300 -0.301 0.000 3.047 403 W HA 0.715 nan 4.660 nan 0.000 0.341 403 W C -2.984 173.529 176.519 -0.010 0.000 1.225 403 W CA -1.874 55.331 57.345 -0.234 0.000 1.150 403 W CB 3.417 32.775 29.460 -0.170 0.000 1.470 403 W HN -0.162 7.930 8.180 -0.147 0.000 0.578 404 Y N -5.473 114.884 120.300 0.096 0.000 2.662 404 Y HA 0.084 nan 4.550 nan 0.000 0.334 404 Y C -1.997 173.950 175.900 0.079 0.000 1.185 404 Y CA -0.758 57.234 58.100 -0.180 0.000 1.074 404 Y CB 1.649 39.964 38.460 -0.242 0.000 1.330 404 Y HN -0.329 8.081 8.280 0.217 0.000 0.458 405 N N -0.622 118.243 118.700 0.275 0.000 2.862 405 N HA -0.349 nan 4.740 nan 0.000 0.248 405 N C -1.506 174.150 175.510 0.243 0.000 1.116 405 N CA 1.240 54.462 53.050 0.288 0.000 0.727 405 N CB -0.609 38.158 38.487 0.466 0.000 1.083 405 N HN -0.026 8.651 8.380 0.078 -0.250 0.555 406 V N -0.957 119.127 119.914 0.283 0.000 2.674 406 V HA 0.137 nan 4.120 nan 0.000 0.279 406 V C -1.498 174.769 176.094 0.288 0.000 1.051 406 V CA -0.353 62.099 62.300 0.253 0.000 0.912 406 V CB 2.031 33.997 31.823 0.238 0.000 1.044 406 V HN -0.656 7.879 8.190 0.362 -0.129 0.464 407 I N 1.235 121.899 120.570 0.157 0.000 2.478 407 I HA 0.417 nan 4.170 nan 0.000 0.287 407 I C -1.315 174.859 176.117 0.094 0.000 1.042 407 I CA -1.127 60.258 61.300 0.143 0.000 1.067 407 I CB 2.344 40.384 38.000 0.067 0.000 1.233 407 I HN -0.002 8.271 8.210 0.106 0.000 0.431 408 N N 8.380 127.138 118.700 0.096 0.000 2.354 408 N HA 0.154 nan 4.740 nan 0.000 0.246 408 N C -0.076 175.468 175.510 0.056 0.000 1.285 408 N CA -1.518 51.570 53.050 0.065 0.000 0.925 408 N CB 0.239 38.762 38.487 0.060 0.000 1.174 408 N HN 0.064 8.515 8.380 0.118 0.000 0.478 409 P HA -0.237 nan 4.420 nan 0.000 0.219 409 P C -0.040 177.285 177.300 0.042 0.000 1.149 409 P CA 1.872 64.993 63.100 0.034 0.000 0.835 409 P CB -0.050 31.665 31.700 0.025 0.000 0.778 410 T N -2.691 111.894 114.554 0.051 0.000 2.684 410 T HA -0.212 nan 4.350 nan 0.000 0.267 410 T C 1.065 175.808 174.700 0.072 0.000 1.032 410 T CA 2.142 64.278 62.100 0.058 0.000 1.155 410 T CB -0.047 68.861 68.868 0.067 0.000 0.857 410 T HN -0.384 8.215 8.240 0.048 -0.330 0.457 411 L N -2.704 118.572 121.223 0.089 0.000 3.632 411 L HA -0.246 nan 4.340 nan 0.000 0.510 411 L C -1.786 175.180 176.870 0.160 0.000 1.299 411 L CA -0.890 54.017 54.840 0.111 0.000 0.829 411 L CB -1.887 40.217 42.059 0.075 0.000 1.559 411 L HN -0.325 7.802 8.230 0.082 0.152 0.857 412 P HA -0.026 nan 4.420 nan 0.000 0.270 412 P C -1.357 176.124 177.300 0.303 0.000 1.221 412 P CA 0.172 63.395 63.100 0.205 0.000 0.788 412 P CB 0.623 32.442 31.700 0.198 0.000 0.904 413 R N -2.723 117.882 120.500 0.175 0.000 2.628 413 R HA 0.645 nan 4.340 nan 0.000 0.288 413 R C -1.498 174.795 176.300 -0.011 0.000 0.980 413 R CA -0.792 55.433 56.100 0.208 0.000 0.891 413 R CB 3.030 33.424 30.300 0.156 0.000 1.188 413 R HN -0.035 8.284 8.270 0.082 0.000 0.450 414 V N 1.383 121.249 119.914 -0.081 0.000 2.962 414 V HA 0.823 nan 4.120 nan 0.000 0.313 414 V C -1.408 174.649 176.094 -0.060 0.000 1.099 414 V CA -2.250 59.869 62.300 -0.302 0.000 0.971 414 V CB 3.770 35.051 31.823 -0.903 0.000 1.028 414 V HN 0.713 9.047 8.190 0.241 0.000 0.430 415 G N 1.366 110.037 108.800 -0.214 0.000 2.682 415 G HA2 0.741 nan 3.960 nan 0.000 0.303 415 G HA3 0.741 nan 3.960 nan 0.000 0.303 415 G C -2.900 171.546 174.900 -0.756 0.000 1.341 415 G CA -0.290 44.556 45.100 -0.424 0.000 0.784 415 G HN 0.288 8.356 8.290 -0.243 0.076 0.497 416 A N -2.085 120.320 122.820 -0.691 0.000 2.411 416 A HA 0.607 nan 4.320 nan 0.000 0.285 416 A C -0.235 177.206 177.584 -0.238 0.000 1.129 416 A CA -1.270 50.455 52.037 -0.520 0.000 0.736 416 A CB 1.325 19.946 19.000 -0.632 0.000 1.186 416 A HN 0.138 7.989 8.150 -0.499 0.000 0.445 417 S N 4.474 120.080 115.700 -0.157 0.000 2.348 417 S HA -0.268 nan 4.470 nan 0.000 0.221 417 S C 0.473 175.047 174.600 -0.044 0.000 1.033 417 S CA 3.517 61.665 58.200 -0.087 0.000 1.010 417 S CB 0.598 63.755 63.200 -0.072 0.000 0.891 417 S HN 0.570 8.782 8.310 -0.164 0.000 0.442 418 K N -0.327 120.055 120.400 -0.030 0.000 2.501 418 K HA 0.521 nan 4.320 nan 0.000 0.252 418 K C -2.668 173.968 176.600 0.060 0.000 0.934 418 K CA -0.397 55.906 56.287 0.028 0.000 0.797 418 K CB 3.409 35.920 32.500 0.018 0.000 1.270 418 K HN -0.948 7.270 8.250 -0.054 0.000 0.431 419 I N 4.321 124.979 120.570 0.147 0.000 2.436 419 I HA 0.593 nan 4.170 nan 0.000 0.289 419 I C -1.762 174.524 176.117 0.282 0.000 1.010 419 I CA -1.539 59.880 61.300 0.199 0.000 1.098 419 I CB 2.812 40.944 38.000 0.219 0.000 1.266 419 I HN 0.835 9.055 8.210 0.196 0.107 0.434 420 T N 5.004 119.686 114.554 0.214 0.000 2.771 420 T HA 0.543 nan 4.350 nan 0.000 0.281 420 T C -1.152 173.698 174.700 0.250 0.000 0.982 420 T CA -2.295 59.944 62.100 0.232 0.000 0.978 420 T CB 1.037 69.981 68.868 0.128 0.000 0.930 420 T HN 0.038 8.377 8.240 0.165 0.000 0.447 421 V N 5.209 125.332 119.914 0.347 0.000 2.394 421 V HA 0.566 nan 4.120 nan 0.000 0.282 421 V C -1.402 174.907 176.094 0.358 0.000 1.031 421 V CA -1.351 61.126 62.300 0.296 0.000 0.881 421 V CB 0.630 32.620 31.823 0.279 0.000 0.982 421 V HN 0.553 9.010 8.190 0.445 0.000 0.451 422 E N 6.872 127.249 120.200 0.295 0.000 2.092 422 E HA 0.418 nan 4.350 nan 0.000 0.271 422 E C -0.856 176.070 176.600 0.545 0.000 0.919 422 E CA -2.133 54.501 56.400 0.390 0.000 0.760 422 E CB 2.823 32.751 29.700 0.379 0.000 1.106 422 E HN 0.620 9.093 8.360 0.188 0.000 0.408 423 R N 5.667 126.512 120.500 0.576 0.000 2.811 423 R HA -0.266 nan 4.340 nan 0.000 0.265 423 R C 1.704 178.282 176.300 0.463 0.000 1.026 423 R CA 1.850 58.269 56.100 0.531 0.000 1.142 423 R CB 0.465 31.029 30.300 0.440 0.000 1.027 423 R HN -0.158 8.442 8.270 0.550 0.000 0.465 424 N N 2.847 121.753 118.700 0.343 0.000 2.364 424 N HA -0.344 nan 4.740 nan 0.000 0.183 424 N C 1.230 176.715 175.510 -0.041 0.000 1.022 424 N CA 3.002 56.053 53.050 0.002 0.000 0.883 424 N CB -1.099 37.588 38.487 0.334 0.000 0.965 424 N HN 0.399 8.908 8.380 0.216 0.000 0.438 425 D N -0.132 120.312 120.400 0.073 0.000 2.157 425 D HA -0.343 nan 4.640 nan 0.000 0.191 425 D C 1.112 177.415 176.300 0.006 0.000 1.004 425 D CA 2.501 56.539 54.000 0.063 0.000 0.854 425 D CB 0.046 40.916 40.800 0.117 0.000 0.936 425 D HN -0.146 8.301 8.370 0.129 -0.000 0.446 426 G N -2.846 105.951 108.800 -0.004 0.000 2.617 426 G HA2 -0.337 nan 3.960 nan 0.000 0.197 426 G HA3 -0.337 nan 3.960 nan 0.000 0.197 426 G C -0.739 174.168 174.900 0.010 0.000 1.017 426 G CA -0.409 44.672 45.100 -0.030 0.000 0.713 426 G HN -0.208 7.983 8.290 0.045 0.126 0.481 427 K N 2.211 122.616 120.400 0.007 0.000 2.586 427 K HA -0.284 nan 4.320 nan 0.000 0.280 427 K C -1.343 175.247 176.600 -0.018 0.000 0.972 427 K CA 1.334 57.572 56.287 -0.082 0.000 1.040 427 K CB 0.589 32.975 32.500 -0.189 0.000 0.870 427 K HN -0.373 7.829 8.250 0.022 0.061 0.497 428 V N 2.429 122.280 119.914 -0.105 0.000 2.540 428 V HA 0.409 nan 4.120 nan 0.000 0.302 428 V C -0.798 175.237 176.094 -0.098 0.000 1.035 428 V CA -1.490 60.816 62.300 0.010 0.000 0.873 428 V CB 1.555 33.391 31.823 0.023 0.000 0.992 428 V HN -0.072 8.005 8.190 -0.188 0.000 0.428 429 Y N 6.042 126.372 120.300 0.051 0.000 2.377 429 Y HA 0.183 nan 4.550 nan 0.000 0.339 429 Y C -1.274 174.493 175.900 -0.222 0.000 1.011 429 Y CA -1.406 56.642 58.100 -0.088 0.000 1.093 429 Y CB 3.419 41.914 38.460 0.060 0.000 1.201 429 Y HN 0.828 9.244 8.280 0.408 0.109 0.455 430 D N 1.908 122.122 120.400 -0.309 0.000 2.256 430 D HA 0.648 nan 4.640 nan 0.000 0.246 430 D C -0.777 175.132 176.300 -0.652 0.000 1.042 430 D CA -0.588 53.235 54.000 -0.295 0.000 0.841 430 D CB 2.762 43.472 40.800 -0.150 0.000 1.223 430 D HN 0.198 8.357 8.370 -0.351 0.000 0.470 431 F N 1.765 121.757 119.950 0.070 0.000 2.561 431 F HA 0.514 nan 4.527 nan 0.000 0.313 431 F C -1.273 174.541 175.800 0.022 0.000 1.126 431 F CA -1.215 56.815 58.000 0.050 0.000 0.918 431 F CB 4.479 43.514 39.000 0.057 0.000 1.199 431 F HN 0.208 8.563 8.300 0.091 0.000 0.444 432 c N 3.565 122.259 118.600 0.156 0.000 2.797 432 c HA 0.827 nan 4.570 nan 0.000 0.306 432 c C -1.989 172.131 174.090 0.051 0.000 1.207 432 c CA -1.280 55.090 56.329 0.069 0.000 1.507 432 c CB 3.724 46.249 42.510 0.024 0.000 2.028 432 c HN 1.150 9.484 8.230 0.173 0.000 0.475 433 S N -0.022 115.683 115.700 0.008 0.000 2.550 433 S HA 0.141 nan 4.470 nan 0.000 0.270 433 S C -1.066 173.514 174.600 -0.033 0.000 1.145 433 S CA -1.003 57.192 58.200 -0.008 0.000 0.852 433 S CB 1.673 64.866 63.200 -0.012 0.000 1.119 433 S HN 0.573 8.755 8.310 -0.011 0.122 0.465 434 Q N 0.801 120.585 119.800 -0.027 0.000 2.219 434 Q HA 0.209 nan 4.340 nan 0.000 0.209 434 Q C 0.312 176.292 176.000 -0.033 0.000 0.854 434 Q CA -0.712 55.070 55.803 -0.035 0.000 0.960 434 Q CB 0.353 29.076 28.738 -0.025 0.000 1.116 434 Q HN 0.416 8.676 8.270 -0.016 0.000 0.500 435 E N 1.061 121.244 120.200 -0.027 0.000 2.404 435 E HA -0.072 nan 4.350 nan 0.000 0.261 435 E C -1.001 175.584 176.600 -0.025 0.000 1.074 435 E CA 0.931 57.323 56.400 -0.014 0.000 0.917 435 E CB 1.372 31.073 29.700 0.002 0.000 0.965 435 E HN -0.712 7.567 8.360 -0.026 0.064 0.433 436 T N -4.842 109.716 114.554 0.007 0.000 2.940 436 T HA 0.737 nan 4.350 nan 0.000 0.288 436 T C -0.752 174.014 174.700 0.110 0.000 1.045 436 T CA -2.363 59.758 62.100 0.035 0.000 1.018 436 T CB 2.752 71.638 68.868 0.030 0.000 1.151 436 T HN -0.152 8.099 8.240 0.018 0.000 0.529 437 V N -6.044 114.001 119.914 0.219 0.000 3.159 437 V HA 0.683 nan 4.120 nan 0.000 0.308 437 V C -2.114 174.253 176.094 0.455 0.000 1.190 437 V CA -2.468 59.998 62.300 0.276 0.000 1.037 437 V CB 3.772 35.769 31.823 0.291 0.000 1.060 437 V HN 0.782 9.125 8.190 0.256 0.000 0.437 438 R N -0.679 120.013 120.500 0.320 0.000 2.607 438 R HA 0.543 nan 4.340 nan 0.000 0.261 438 R C -0.579 175.679 176.300 -0.070 0.000 1.051 438 R CA -1.581 54.715 56.100 0.328 0.000 1.110 438 R CB 1.443 31.835 30.300 0.153 0.000 1.158 438 R HN 0.292 8.679 8.270 0.195 0.000 0.543 439 E N -0.494 119.311 120.200 -0.660 0.000 2.418 439 E HA -0.232 nan 4.350 nan 0.000 0.261 439 E C 0.084 176.306 176.600 -0.630 0.000 1.070 439 E CA 0.375 55.912 56.400 -1.439 0.000 0.931 439 E CB -0.079 28.551 29.700 -1.785 0.000 0.954 439 E HN 0.035 8.155 8.360 -0.399 0.000 0.439 440 E N -1.901 117.982 120.200 -0.527 0.000 2.440 440 E HA -0.530 nan 4.350 nan 0.000 0.246 440 E C -1.733 174.761 176.600 -0.177 0.000 1.165 440 E CA 1.299 57.537 56.400 -0.269 0.000 0.726 440 E CB -1.132 28.433 29.700 -0.225 0.000 1.271 440 E HN 0.218 8.182 8.360 -0.660 0.000 0.397 441 V N -4.076 115.753 119.914 -0.143 0.000 2.604 441 V HA 0.199 nan 4.120 nan 0.000 0.305 441 V C -0.678 175.439 176.094 0.038 0.000 1.043 441 V CA -1.976 60.304 62.300 -0.033 0.000 0.888 441 V CB 2.276 34.105 31.823 0.010 0.000 0.995 441 V HN -0.619 7.408 8.190 -0.215 0.034 0.429 442 L N 3.733 124.972 121.223 0.026 0.000 2.334 442 L HA 0.173 nan 4.340 nan 0.000 0.286 442 L C -0.627 176.286 176.870 0.072 0.000 1.108 442 L CA -0.705 54.163 54.840 0.048 0.000 0.875 442 L CB -0.348 41.714 42.059 0.004 0.000 1.246 442 L HN 0.263 8.493 8.230 0.000 0.000 0.439 443 L N 6.327 127.646 121.223 0.160 0.000 2.369 443 L HA 0.109 nan 4.340 nan 0.000 0.279 443 L C -1.070 175.849 176.870 0.083 0.000 1.108 443 L CA -0.277 54.645 54.840 0.137 0.000 0.852 443 L CB 0.913 43.102 42.059 0.217 0.000 1.169 443 L HN -0.332 8.046 8.230 0.246 0.000 0.452 444 T N 5.450 120.004 114.554 0.000 0.000 2.780 444 T HA 0.213 nan 4.350 nan 0.000 0.294 444 T C -0.339 174.353 174.700 -0.014 0.000 0.949 444 T CA -1.347 60.721 62.100 -0.054 0.000 1.074 444 T CB 0.711 69.492 68.868 -0.145 0.000 0.910 444 T HN 0.167 8.403 8.240 -0.006 0.000 0.501 445 L N 6.203 127.427 121.223 0.001 0.000 2.357 445 L HA 0.460 nan 4.340 nan 0.000 0.273 445 L C -0.728 176.213 176.870 0.118 0.000 1.080 445 L CA -0.692 54.186 54.840 0.063 0.000 0.803 445 L CB 0.832 42.959 42.059 0.114 0.000 1.174 445 L HN 0.072 8.287 8.230 -0.025 0.000 0.443 446 N N 1.773 120.581 118.700 0.180 0.000 2.471 446 N HA 0.556 nan 4.740 nan 0.000 0.288 446 N C -2.752 172.963 175.510 0.341 0.000 1.220 446 N CA -2.335 50.865 53.050 0.250 0.000 0.893 446 N CB 1.870 40.428 38.487 0.118 0.000 1.256 446 N HN -0.332 8.131 8.380 0.139 0.000 0.534 447 P HA 0.065 nan 4.420 nan 0.000 0.266 447 P C -1.114 176.169 177.300 -0.029 0.000 1.215 447 P CA 0.319 63.383 63.100 -0.061 0.000 0.763 447 P CB -0.213 31.450 31.700 -0.061 0.000 0.806 448 c N 0.000 118.561 118.600 -0.065 0.000 2.653 448 c HA 0.000 nan 4.570 nan 0.000 0.325 448 c CA 0.000 56.304 56.329 -0.041 0.000 1.963 448 c CB 0.000 42.491 42.510 -0.031 0.000 2.134 448 c HN 0.000 8.156 8.230 -0.124 0.000 0.568