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 1zpu_1_F DATA FIRST_RESID 22 DATA SEQUENCE ETHTFNWTTG WDYRNVDGLK SRPVITCNGQ FPWPDITVNK GDRVQIYLTN DATA SEQUENCE GMNNTNTSMH FHGLFQNGTA SMDGVPFLTQ cPIAPGSTML YNFTVDYNVG DATA SEQUENCE TYWYHSHTDG QYEDGMKGLF IIKDDSFPYD YDEELSLSLS EWYHDLVTDL DATA SEQUENCE TKSFMSVYNP TGAEPIPQNL IVNNTMNLTW EVQPDTTYLL RIVNVGGFVS DATA SEQUENCE QYFWIEDHEM TVVEIDGITT EKNVTDMLYI TVAQRYTVLV HTKNDTDKNF DATA SEQUENCE AIMQKFDDTM LDVIPSDLQL NATSYMVYNK TAALPTQNYV DSIDNFLDDF DATA SEQUENCE YLQPYEKEAI YGEPDHVITV DVVMDNLKNG VNYAFFNNIT YTAPKVPTLM DATA SEQUENCE TVLSSGDQAN NSEIYGSNTH TFILEKDEIV EIVLNNQDTG THPFHLHGHA DATA SEQUENCE FQTIQRDRTY DDALGEVPHS FDPDNHPAFP EYPMRRDTLY VRPQSNFVIR DATA SEQUENCE FKADNPGVWF FHCHIEWHLL QGLGLVLVED PFGIQDAHSQ QLSENHLEVc DATA SEQUENCE QSCSVATEGN AAANTLDLTD LTGENVQHA 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.523 176.600 -0.129 0.000 1.382 22 E CA 0.000 56.337 56.400 -0.105 0.000 0.976 22 E CB 0.000 29.635 29.700 -0.109 0.000 0.812 23 T N 3.452 117.870 114.554 -0.227 0.000 2.758 23 T HA 0.371 4.721 4.350 0.000 0.000 0.285 23 T C -0.814 173.660 174.700 -0.377 0.000 0.981 23 T CA -0.511 61.461 62.100 -0.212 0.000 0.965 23 T CB 0.382 69.148 68.868 -0.170 0.000 0.927 23 T HN 0.243 nan 8.240 nan 0.000 0.448 24 H N 2.506 121.450 119.070 -0.210 0.000 2.541 24 H HA 0.351 4.907 4.556 0.000 0.000 0.316 24 H C -0.231 174.831 175.328 -0.443 0.000 1.043 24 H CA -0.490 55.365 56.048 -0.321 0.000 1.232 24 H CB 1.120 30.784 29.762 -0.163 0.000 1.406 24 H HN 0.453 nan 8.280 nan 0.000 0.469 25 T N 4.956 119.203 114.554 -0.511 0.000 2.779 25 T HA 0.395 4.745 4.350 0.000 0.000 0.280 25 T C -0.287 174.019 174.700 -0.657 0.000 0.987 25 T CA -0.488 61.349 62.100 -0.437 0.000 0.966 25 T CB 0.474 69.201 68.868 -0.237 0.000 0.933 25 T HN 0.249 nan 8.240 nan 0.000 0.442 26 F N 2.172 121.971 119.950 -0.252 0.000 2.532 26 F HA 0.526 5.053 4.527 0.000 0.000 0.321 26 F C 0.442 176.064 175.800 -0.295 0.000 1.089 26 F CA -1.156 56.627 58.000 -0.362 0.000 0.926 26 F CB 1.667 40.117 39.000 -0.916 0.000 1.168 26 F HN 0.376 nan 8.300 nan 0.000 0.459 27 N N 2.484 121.232 118.700 0.081 0.000 2.564 27 N HA 0.296 5.036 4.740 0.000 0.000 0.248 27 N C -2.031 173.692 175.510 0.355 0.000 0.986 27 N CA -0.407 52.750 53.050 0.178 0.000 0.921 27 N CB 0.615 39.202 38.487 0.166 0.000 1.136 27 N HN 0.354 nan 8.380 nan 0.000 0.509 28 W N 2.161 123.567 121.300 0.178 0.000 2.587 28 W HA 0.468 5.128 4.660 0.000 0.000 0.324 28 W C -0.521 176.052 176.519 0.090 0.000 1.040 28 W CA -0.775 56.614 57.345 0.073 0.000 1.222 28 W CB 1.221 30.720 29.460 0.063 0.000 1.381 28 W HN 0.179 nan 8.180 nan 0.000 0.483 29 T N 1.385 116.076 114.554 0.229 0.000 2.809 29 T HA 0.333 4.683 4.350 0.000 0.000 0.284 29 T C 0.289 175.063 174.700 0.124 0.000 0.992 29 T CA -0.544 61.660 62.100 0.174 0.000 0.957 29 T CB 1.352 70.292 68.868 0.120 0.000 0.942 29 T HN 0.317 nan 8.240 nan 0.000 0.439 30 T N 1.116 115.801 114.554 0.217 0.000 2.926 30 T HA 0.620 4.970 4.350 0.000 0.000 0.307 30 T C 0.579 175.337 174.700 0.096 0.000 1.059 30 T CA -0.492 61.740 62.100 0.219 0.000 1.122 30 T CB 1.001 70.004 68.868 0.226 0.000 0.972 30 T HN 0.882 nan 8.240 nan 0.000 0.545 31 G N 0.418 109.225 108.800 0.013 0.000 2.608 31 G HA2 0.513 4.473 3.960 0.000 0.000 0.291 31 G HA3 0.513 4.473 3.960 0.000 0.000 0.291 31 G C -2.312 172.507 174.900 -0.135 0.000 1.425 31 G CA -1.306 43.800 45.100 0.010 0.000 0.787 31 G HN 0.735 nan 8.290 nan 0.000 0.484 32 W N 0.364 121.719 121.300 0.091 0.000 2.587 32 W HA 0.677 5.337 4.660 0.000 0.000 0.324 32 W C -0.659 175.879 176.519 0.032 0.000 1.040 32 W CA -0.263 57.110 57.345 0.048 0.000 1.222 32 W CB 2.439 31.905 29.460 0.010 0.000 1.381 32 W HN 0.303 nan 8.180 nan 0.000 0.483 33 D N 0.991 121.535 120.400 0.241 0.000 2.661 33 D HA 0.157 4.798 4.640 0.000 0.000 0.228 33 D C -1.414 174.939 176.300 0.088 0.000 1.210 33 D CA -0.853 53.252 54.000 0.175 0.000 0.826 33 D CB 2.157 43.042 40.800 0.142 0.000 1.542 33 D HN 0.130 nan 8.370 nan 0.000 0.447 34 Y N 1.165 121.519 120.300 0.089 0.000 2.377 34 Y HA 0.251 4.801 4.550 0.000 0.000 0.330 34 Y C 0.925 176.824 175.900 -0.001 0.000 1.108 34 Y CA 0.259 58.390 58.100 0.051 0.000 1.308 34 Y CB 0.662 39.145 38.460 0.039 0.000 1.216 34 Y HN -0.067 nan 8.280 nan 0.000 0.518 35 R N 1.638 122.177 120.500 0.065 0.000 2.808 35 R HA 0.262 4.602 4.340 0.000 0.000 0.272 35 R C -1.127 175.185 176.300 0.020 0.000 0.995 35 R CA -1.139 54.950 56.100 -0.018 0.000 0.917 35 R CB 1.468 31.618 30.300 -0.250 0.000 1.217 35 R HN 0.530 nan 8.270 nan 0.000 0.471 36 N N 1.742 120.445 118.700 0.006 0.000 3.091 36 N HA 0.096 4.836 4.740 0.000 0.000 0.255 36 N C 0.644 176.123 175.510 -0.051 0.000 1.204 36 N CA 0.000 53.058 53.050 0.013 0.000 0.990 36 N CB 0.716 39.216 38.487 0.022 0.000 1.260 36 N HN 0.254 nan 8.380 nan 0.000 0.502 37 V N 1.265 121.100 119.914 -0.132 0.000 2.270 37 V HA -0.184 3.936 4.120 0.000 0.000 0.245 37 V C 1.954 177.868 176.094 -0.301 0.000 1.043 37 V CA 1.454 63.543 62.300 -0.352 0.000 1.014 37 V CB -0.332 30.915 31.823 -0.960 0.000 0.645 37 V HN 0.469 nan 8.190 nan 0.000 0.447 38 D N -0.189 120.091 120.400 -0.201 0.000 2.123 38 D HA -0.081 4.560 4.640 0.000 0.000 0.196 38 D C 1.842 178.148 176.300 0.009 0.000 0.992 38 D CA 1.940 55.935 54.000 -0.008 0.000 0.833 38 D CB -0.135 40.831 40.800 0.276 0.000 0.954 38 D HN 0.556 nan 8.370 nan 0.000 0.455 39 G N -0.566 108.240 108.800 0.010 0.000 2.201 39 G HA2 -0.219 3.741 3.960 0.000 0.000 0.212 39 G HA3 -0.219 3.741 3.960 0.000 0.000 0.212 39 G C 0.813 175.741 174.900 0.046 0.000 0.994 39 G CA 0.446 45.560 45.100 0.023 0.000 0.644 39 G HN 0.452 nan 8.290 nan 0.000 0.508 40 L N -3.262 118.000 121.223 0.066 0.000 3.429 40 L HA 0.734 5.074 4.340 0.000 0.000 0.311 40 L C -0.011 176.860 176.870 0.001 0.000 1.274 40 L CA -0.482 54.404 54.840 0.076 0.000 1.037 40 L CB 0.760 42.910 42.059 0.152 0.000 1.433 40 L HN -0.007 nan 8.230 nan 0.000 0.614 41 K N 1.421 121.772 120.400 -0.083 0.000 2.635 41 K HA 0.239 4.559 4.320 0.000 0.000 0.266 41 K C -1.133 175.457 176.600 -0.017 0.000 1.033 41 K CA 0.061 56.263 56.287 -0.142 0.000 0.919 41 K CB 2.363 34.535 32.500 -0.546 0.000 1.289 41 K HN 0.051 nan 8.250 nan 0.000 0.463 42 S N 3.659 119.389 115.700 0.050 0.000 2.498 42 S HA 0.273 4.743 4.470 0.000 0.000 0.281 42 S C -0.251 174.503 174.600 0.256 0.000 1.265 42 S CA -0.041 58.246 58.200 0.146 0.000 1.071 42 S CB 0.210 63.481 63.200 0.117 0.000 0.894 42 S HN 0.597 nan 8.310 nan 0.000 0.491 43 R N 4.800 125.454 120.500 0.256 0.000 2.594 43 R HA 0.379 4.719 4.340 0.000 0.000 0.265 43 R C -3.576 172.628 176.300 -0.159 0.000 1.070 43 R CA -1.820 54.325 56.100 0.074 0.000 0.909 43 R CB 1.256 31.590 30.300 0.056 0.000 1.243 43 R HN 0.355 nan 8.270 nan 0.000 0.455 44 P HA 0.077 nan 4.420 nan 0.000 0.267 44 P C -0.432 176.982 177.300 0.189 0.000 1.205 44 P CA -0.225 62.682 63.100 -0.320 0.000 0.765 44 P CB 0.861 32.308 31.700 -0.422 0.000 0.828 45 V N 1.384 121.411 119.914 0.188 0.000 3.001 45 V HA 0.549 4.670 4.120 0.000 0.000 0.314 45 V C -0.189 175.867 176.094 -0.064 0.000 1.099 45 V CA -1.267 61.099 62.300 0.110 0.000 0.989 45 V CB 1.885 33.569 31.823 -0.232 0.000 1.040 45 V HN 0.235 nan 8.190 nan 0.000 0.434 46 I N 3.282 123.719 120.570 -0.222 0.000 2.379 46 I HA 0.373 4.543 4.170 0.000 0.000 0.290 46 I C 0.882 177.179 176.117 0.300 0.000 1.063 46 I CA 0.172 61.279 61.300 -0.322 0.000 1.351 46 I CB 1.098 38.857 38.000 -0.401 0.000 1.410 46 I HN 0.945 nan 8.210 nan 0.000 0.505 47 T N 2.329 116.979 114.554 0.160 0.000 2.934 47 T HA 0.357 4.707 4.350 0.000 0.000 0.283 47 T C -0.354 174.241 174.700 -0.175 0.000 1.005 47 T CA -0.804 61.368 62.100 0.120 0.000 1.041 47 T CB 1.804 70.695 68.868 0.039 0.000 1.042 47 T HN 0.642 nan 8.240 nan 0.000 0.505 48 C N 3.438 122.270 119.300 -0.780 0.000 2.271 48 C HA 0.528 4.988 4.460 0.000 0.000 0.323 48 C C 0.416 175.076 174.990 -0.551 0.000 1.245 48 C CA -0.441 57.884 59.018 -1.155 0.000 1.548 48 C CB -1.738 24.610 27.740 -2.320 0.000 2.214 48 C HN 0.976 nan 8.230 nan 0.000 0.477 49 N N 3.854 122.390 118.700 -0.273 0.000 2.710 49 N HA -0.191 4.549 4.740 0.000 0.000 0.249 49 N C 0.996 176.453 175.510 -0.087 0.000 1.059 49 N CA 2.035 55.019 53.050 -0.110 0.000 0.720 49 N CB -1.380 37.068 38.487 -0.065 0.000 0.983 49 N HN 1.781 nan 8.380 nan 0.000 0.544 50 G N -1.854 106.900 108.800 -0.077 0.000 2.179 50 G HA2 -0.329 3.631 3.960 0.000 0.000 0.260 50 G HA3 -0.329 3.631 3.960 0.000 0.000 0.260 50 G C -0.196 174.688 174.900 -0.026 0.000 0.977 50 G CA 0.661 45.748 45.100 -0.022 0.000 0.641 50 G HN 0.515 nan 8.290 nan 0.000 0.533 51 Q N -0.713 119.024 119.800 -0.105 0.000 2.266 51 Q HA 0.766 5.106 4.340 0.000 0.000 0.261 51 Q C -1.095 174.880 176.000 -0.042 0.000 0.985 51 Q CA -0.711 55.041 55.803 -0.085 0.000 0.873 51 Q CB 2.397 31.042 28.738 -0.155 0.000 1.306 51 Q HN 0.473 nan 8.270 nan 0.000 0.447 52 F N 1.958 121.844 119.950 -0.106 0.000 2.581 52 F HA 0.496 5.023 4.527 0.000 0.000 0.311 52 F C -2.450 173.318 175.800 -0.052 0.000 1.113 52 F CA -1.774 56.193 58.000 -0.055 0.000 0.935 52 F CB 1.549 40.554 39.000 0.008 0.000 1.232 52 F HN 0.379 nan 8.300 nan 0.000 0.445 53 P HA 0.220 nan 4.420 nan 0.000 0.277 53 P C -1.269 175.739 177.300 -0.487 0.000 1.271 53 P CA -0.239 62.147 63.100 -1.189 0.000 0.795 53 P CB 0.522 31.698 31.700 -0.872 0.000 1.101 54 W N 1.316 122.276 121.300 -0.566 0.000 2.148 54 W HA 0.184 4.844 4.660 0.000 0.000 0.347 54 W C -1.512 174.802 176.519 -0.340 0.000 1.288 54 W CA -0.762 56.352 57.345 -0.385 0.000 1.252 54 W CB -1.119 28.173 29.460 -0.280 0.000 1.156 54 W HN 0.323 nan 8.180 nan 0.000 0.580 55 P HA 0.053 nan 4.420 nan 0.000 0.274 55 P C -0.742 176.573 177.300 0.024 0.000 1.246 55 P CA -0.008 62.996 63.100 -0.160 0.000 0.795 55 P CB 0.969 32.500 31.700 -0.281 0.000 1.006 56 D N 1.118 121.527 120.400 0.014 0.000 2.168 56 D HA 0.394 5.034 4.640 0.000 0.000 0.246 56 D C 0.176 176.489 176.300 0.021 0.000 1.050 56 D CA -0.239 53.800 54.000 0.066 0.000 0.857 56 D CB 1.717 42.510 40.800 -0.012 0.000 1.169 56 D HN 0.258 nan 8.370 nan 0.000 0.453 57 I N 1.179 121.746 120.570 -0.005 0.000 2.359 57 I HA 0.167 4.337 4.170 0.000 0.000 0.294 57 I C 0.104 175.989 176.117 -0.386 0.000 0.987 57 I CA -0.158 60.991 61.300 -0.251 0.000 1.225 57 I CB 1.491 39.211 38.000 -0.467 0.000 1.366 57 I HN 0.081 nan 8.210 nan 0.000 0.466 58 T N 6.125 120.489 114.554 -0.317 0.000 2.840 58 T HA 0.571 4.921 4.350 0.000 0.000 0.287 58 T C -0.317 174.161 174.700 -0.369 0.000 0.991 58 T CA -0.573 61.349 62.100 -0.296 0.000 0.964 58 T CB 1.464 70.246 68.868 -0.142 0.000 0.954 58 T HN 0.429 nan 8.240 nan 0.000 0.438 59 V N 1.034 120.723 119.914 -0.375 0.000 3.158 59 V HA 0.764 4.884 4.120 0.000 0.000 0.311 59 V C -0.908 175.120 176.094 -0.111 0.000 1.181 59 V CA -1.281 60.826 62.300 -0.321 0.000 1.054 59 V CB 2.206 33.807 31.823 -0.370 0.000 1.085 59 V HN 0.655 nan 8.190 nan 0.000 0.446 60 N N 0.747 119.426 118.700 -0.034 0.000 2.492 60 N HA 0.368 5.108 4.740 0.000 0.000 0.289 60 N C -0.553 174.968 175.510 0.017 0.000 1.133 60 N CA -0.688 52.365 53.050 0.006 0.000 0.961 60 N CB 1.420 39.922 38.487 0.025 0.000 1.186 60 N HN 0.864 nan 8.380 nan 0.000 0.493 61 K N 0.425 120.838 120.400 0.021 0.000 2.511 61 K HA 0.020 4.340 4.320 0.000 0.000 0.277 61 K C 1.007 177.607 176.600 0.001 0.000 1.025 61 K CA 1.320 57.616 56.287 0.016 0.000 1.112 61 K CB -0.661 31.847 32.500 0.014 0.000 0.859 61 K HN 0.767 nan 8.250 nan 0.000 0.485 62 G N 2.825 111.620 108.800 -0.008 0.000 2.159 62 G HA2 -0.246 3.714 3.960 0.000 0.000 0.256 62 G HA3 -0.246 3.714 3.960 0.000 0.000 0.256 62 G C -0.263 174.632 174.900 -0.008 0.000 0.977 62 G CA 0.182 45.270 45.100 -0.021 0.000 0.652 62 G HN 0.711 nan 8.290 nan 0.000 0.531 63 D N -0.231 120.175 120.400 0.010 0.000 2.357 63 D HA 0.477 5.117 4.640 0.000 0.000 0.242 63 D C 0.878 177.166 176.300 -0.020 0.000 1.153 63 D CA -0.059 53.955 54.000 0.024 0.000 0.918 63 D CB 0.720 41.571 40.800 0.084 0.000 1.181 63 D HN 0.432 nan 8.370 nan 0.000 0.435 64 R N 0.558 121.035 120.500 -0.037 0.000 2.294 64 R HA 0.457 4.797 4.340 0.000 0.000 0.319 64 R C -1.565 174.625 176.300 -0.183 0.000 0.984 64 R CA -0.518 55.502 56.100 -0.133 0.000 0.861 64 R CB 0.720 30.953 30.300 -0.112 0.000 1.104 64 R HN 0.113 nan 8.270 nan 0.000 0.451 65 V N 5.499 125.140 119.914 -0.456 0.000 2.384 65 V HA 0.356 4.476 4.120 0.000 0.000 0.287 65 V C -0.470 175.305 176.094 -0.532 0.000 1.020 65 V CA -0.596 61.407 62.300 -0.496 0.000 0.850 65 V CB 1.507 32.883 31.823 -0.744 0.000 0.987 65 V HN 0.779 nan 8.190 nan 0.000 0.436 66 Q N 4.828 124.453 119.800 -0.291 0.000 2.401 66 Q HA 0.584 4.924 4.340 0.000 0.000 0.260 66 Q C -1.086 174.752 176.000 -0.271 0.000 1.034 66 Q CA -0.177 55.447 55.803 -0.299 0.000 0.737 66 Q CB 2.226 30.768 28.738 -0.326 0.000 1.227 66 Q HN 0.692 nan 8.270 nan 0.000 0.488 67 I N 2.572 123.031 120.570 -0.185 0.000 2.330 67 I HA 0.235 4.405 4.170 0.000 0.000 0.289 67 I C -0.759 175.277 176.117 -0.135 0.000 1.001 67 I CA -0.727 60.467 61.300 -0.177 0.000 1.193 67 I CB 0.824 38.749 38.000 -0.124 0.000 1.345 67 I HN 0.531 nan 8.210 nan 0.000 0.461 68 Y N 6.906 127.185 120.300 -0.035 0.000 2.600 68 Y HA 0.285 4.835 4.550 0.000 0.000 0.351 68 Y C 0.183 176.127 175.900 0.073 0.000 1.042 68 Y CA -0.340 57.764 58.100 0.006 0.000 1.333 68 Y CB 0.573 39.028 38.460 -0.009 0.000 1.172 68 Y HN 0.403 nan 8.280 nan 0.000 0.517 69 L N 4.169 125.557 121.223 0.274 0.000 2.265 69 L HA 0.389 4.729 4.340 0.000 0.000 0.288 69 L C -0.432 176.580 176.870 0.238 0.000 1.058 69 L CA -0.127 54.910 54.840 0.329 0.000 0.809 69 L CB 0.867 43.185 42.059 0.433 0.000 1.179 69 L HN 0.524 nan 8.230 nan 0.000 0.429 70 T N 2.843 117.542 114.554 0.242 0.000 2.779 70 T HA 0.200 4.550 4.350 0.000 0.000 0.280 70 T C -0.037 174.770 174.700 0.178 0.000 0.987 70 T CA -0.564 61.637 62.100 0.169 0.000 0.966 70 T CB 1.006 69.956 68.868 0.137 0.000 0.933 70 T HN 0.397 nan 8.240 nan 0.000 0.442 71 N N 2.234 121.019 118.700 0.143 0.000 2.402 71 N HA 0.227 4.968 4.740 0.000 0.000 0.252 71 N C 0.962 176.549 175.510 0.128 0.000 1.118 71 N CA -0.297 52.838 53.050 0.142 0.000 0.945 71 N CB 0.692 39.252 38.487 0.121 0.000 1.147 71 N HN 0.871 nan 8.380 nan 0.000 0.495 72 G N 2.938 111.821 108.800 0.139 0.000 3.393 72 G HA2 0.127 4.087 3.960 0.000 0.000 0.255 72 G HA3 0.127 4.087 3.960 0.000 0.000 0.255 72 G C 0.476 175.469 174.900 0.155 0.000 1.097 72 G CA -0.241 44.936 45.100 0.129 0.000 0.780 72 G HN 0.465 nan 8.290 nan 0.000 0.540 73 M N 0.313 120.020 119.600 0.178 0.000 2.274 73 M HA 0.213 4.693 4.480 0.000 0.000 0.344 73 M C 1.278 177.705 176.300 0.210 0.000 1.161 73 M CA -0.435 55.019 55.300 0.257 0.000 1.126 73 M CB 1.429 34.216 32.600 0.312 0.000 1.522 73 M HN 0.011 nan 8.290 nan 0.000 0.461 74 N N 1.232 120.058 118.700 0.211 0.000 2.409 74 N HA -0.093 4.647 4.740 0.000 0.000 0.179 74 N C 0.545 176.122 175.510 0.112 0.000 1.032 74 N CA 1.189 54.321 53.050 0.136 0.000 0.898 74 N CB 0.270 38.821 38.487 0.107 0.000 0.971 74 N HN 0.749 nan 8.380 nan 0.000 0.441 75 N N -3.013 115.764 118.700 0.129 0.000 1.952 75 N HA 0.040 4.780 4.740 0.000 0.000 0.228 75 N C -0.825 174.754 175.510 0.116 0.000 1.398 75 N CA -0.069 53.041 53.050 0.100 0.000 0.817 75 N CB 0.014 38.541 38.487 0.068 0.000 1.101 75 N HN -0.141 nan 8.380 nan 0.000 0.498 76 T N 0.491 115.138 114.554 0.156 0.000 2.943 76 T HA 0.449 4.799 4.350 0.000 0.000 0.284 76 T C -0.032 174.752 174.700 0.140 0.000 1.015 76 T CA -0.654 61.540 62.100 0.157 0.000 1.042 76 T CB 1.385 70.376 68.868 0.206 0.000 1.055 76 T HN -0.031 nan 8.240 nan 0.000 0.500 77 N N 0.973 119.751 118.700 0.129 0.000 2.408 77 N HA 0.551 5.291 4.740 0.000 0.000 0.260 77 N C -0.155 175.427 175.510 0.120 0.000 1.242 77 N CA -0.216 52.903 53.050 0.115 0.000 0.959 77 N CB 0.825 39.379 38.487 0.111 0.000 1.201 77 N HN 0.645 nan 8.380 nan 0.000 0.511 78 T N -1.045 113.575 114.554 0.109 0.000 2.865 78 T HA 0.745 5.095 4.350 0.000 0.000 0.294 78 T C -0.587 174.183 174.700 0.116 0.000 1.119 78 T CA -0.771 61.398 62.100 0.116 0.000 1.007 78 T CB 1.509 70.458 68.868 0.135 0.000 1.225 78 T HN 0.612 nan 8.240 nan 0.000 0.515 79 S N 0.078 115.856 115.700 0.130 0.000 2.611 79 S HA 0.767 5.237 4.470 0.000 0.000 0.268 79 S C -1.433 173.224 174.600 0.094 0.000 1.156 79 S CA -1.012 57.285 58.200 0.163 0.000 0.817 79 S CB 1.689 64.968 63.200 0.131 0.000 1.122 79 S HN 0.860 nan 8.310 nan 0.000 0.466 80 M N 2.232 121.832 119.600 0.001 0.000 2.267 80 M HA 0.512 4.992 4.480 0.000 0.000 0.289 80 M C -1.883 174.019 176.300 -0.664 0.000 1.043 80 M CA -0.228 54.839 55.300 -0.388 0.000 0.928 80 M CB 1.799 34.108 32.600 -0.485 0.000 1.613 80 M HN 1.079 nan 8.290 nan 0.000 0.450 81 H N 3.572 122.186 119.070 -0.761 0.000 2.492 81 H HA 0.549 5.105 4.556 0.000 0.000 0.345 81 H C -2.016 172.697 175.328 -1.024 0.000 1.136 81 H CA -0.503 55.117 56.048 -0.713 0.000 1.202 81 H CB 1.012 30.600 29.762 -0.291 0.000 1.524 81 H HN 0.560 nan 8.280 nan 0.000 0.506 82 F N 4.069 123.361 119.950 -1.098 0.000 2.303 82 F HA 0.165 4.692 4.527 0.000 0.000 0.368 82 F C 0.334 175.413 175.800 -1.202 0.000 1.105 82 F CA -0.710 56.688 58.000 -1.003 0.000 1.153 82 F CB 0.078 38.545 39.000 -0.888 0.000 1.362 82 F HN 0.649 nan 8.300 nan 0.000 0.511 83 H N 2.096 120.513 119.070 -1.088 0.000 3.046 83 H HA 0.389 4.945 4.556 0.000 0.000 0.303 83 H C 1.185 176.388 175.328 -0.207 0.000 1.002 83 H CA 1.190 56.821 56.048 -0.694 0.000 1.460 83 H CB 0.415 29.704 29.762 -0.788 0.000 1.493 83 H HN 0.884 nan 8.280 nan 0.000 0.559 84 G N 3.717 112.408 108.800 -0.181 0.000 2.258 84 G HA2 -0.273 3.687 3.960 0.000 0.000 0.233 84 G HA3 -0.273 3.687 3.960 0.000 0.000 0.233 84 G C -0.344 174.348 174.900 -0.347 0.000 1.006 84 G CA -0.025 45.085 45.100 0.016 0.000 0.620 84 G HN 0.585 nan 8.290 nan 0.000 0.511 85 L N 1.372 122.291 121.223 -0.506 0.000 2.455 85 L HA 0.543 4.883 4.340 0.000 0.000 0.272 85 L C 1.510 178.139 176.870 -0.401 0.000 1.174 85 L CA 0.001 54.445 54.840 -0.660 0.000 0.869 85 L CB -0.013 41.637 42.059 -0.682 0.000 1.130 85 L HN 0.073 nan 8.230 nan 0.000 0.474 86 F N 0.692 120.470 119.950 -0.287 0.000 2.558 86 F HA 0.003 4.530 4.527 0.000 0.000 0.298 86 F C 1.218 176.840 175.800 -0.297 0.000 1.119 86 F CA -0.100 57.673 58.000 -0.379 0.000 1.451 86 F CB -0.423 38.353 39.000 -0.374 0.000 1.091 86 F HN 0.488 nan 8.300 nan 0.000 0.563 87 Q N 0.386 120.191 119.800 0.009 0.000 2.435 87 Q HA -0.276 4.064 4.340 0.000 0.000 0.286 87 Q C -0.312 175.801 176.000 0.189 0.000 1.229 87 Q CA 0.379 56.243 55.803 0.101 0.000 0.884 87 Q CB -2.526 26.330 28.738 0.196 0.000 1.245 87 Q HN 0.370 nan 8.270 nan 0.000 0.488 88 N N 0.550 119.299 118.700 0.081 0.000 2.429 88 N HA 0.200 4.940 4.740 0.000 0.000 0.271 88 N C 1.327 176.892 175.510 0.091 0.000 1.272 88 N CA 1.842 54.879 53.050 -0.022 0.000 0.921 88 N CB 0.153 38.346 38.487 -0.490 0.000 1.128 88 N HN 0.530 nan 8.380 nan 0.000 0.481 89 G N 2.288 111.152 108.800 0.106 0.000 2.199 89 G HA2 -0.261 3.699 3.960 0.000 0.000 0.254 89 G HA3 -0.261 3.699 3.960 0.000 0.000 0.254 89 G C 0.298 175.254 174.900 0.094 0.000 0.982 89 G CA 0.733 45.893 45.100 0.100 0.000 0.632 89 G HN 0.863 nan 8.290 nan 0.000 0.529 90 T N -3.155 111.466 114.554 0.112 0.000 3.624 90 T HA 0.731 5.081 4.350 0.000 0.000 0.244 90 T C 1.513 176.260 174.700 0.079 0.000 1.063 90 T CA 0.869 63.020 62.100 0.086 0.000 1.252 90 T CB 0.798 69.737 68.868 0.120 0.000 1.021 90 T HN 1.368 nan 8.240 nan 0.000 0.590 91 A N 1.646 124.484 122.820 0.030 0.000 1.978 91 A HA -0.055 4.265 4.320 0.000 0.000 0.220 91 A C 2.540 180.094 177.584 -0.050 0.000 1.170 91 A CA 1.907 53.906 52.037 -0.063 0.000 0.636 91 A CB -1.074 17.721 19.000 -0.341 0.000 0.810 91 A HN 0.776 nan 8.150 nan 0.000 0.448 92 S N -1.102 114.563 115.700 -0.058 0.000 2.462 92 S HA -0.152 4.318 4.470 0.000 0.000 0.243 92 S C 1.520 176.177 174.600 0.095 0.000 1.003 92 S CA 1.744 59.908 58.200 -0.061 0.000 0.970 92 S CB -0.391 62.673 63.200 -0.225 0.000 0.762 92 S HN 0.439 nan 8.310 nan 0.000 0.510 93 M N 0.654 120.341 119.600 0.145 0.000 2.371 93 M HA 0.256 4.736 4.480 0.000 0.000 0.246 93 M C 1.154 177.602 176.300 0.248 0.000 1.103 93 M CA 0.230 55.711 55.300 0.302 0.000 1.010 93 M CB -0.698 32.039 32.600 0.228 0.000 1.457 93 M HN 0.223 nan 8.290 nan 0.000 0.486 94 D N 1.260 121.784 120.400 0.207 0.000 2.219 94 D HA -0.002 4.639 4.640 0.000 0.000 0.205 94 D C 1.355 177.812 176.300 0.261 0.000 0.970 94 D CA 1.654 55.814 54.000 0.267 0.000 0.851 94 D CB 0.215 41.208 40.800 0.322 0.000 0.943 94 D HN 0.544 nan 8.370 nan 0.000 0.488 95 G N -0.283 108.638 108.800 0.202 0.000 2.182 95 G HA2 -0.211 3.749 3.960 0.000 0.000 0.248 95 G HA3 -0.211 3.749 3.960 0.000 0.000 0.248 95 G C -0.080 174.815 174.900 -0.008 0.000 1.042 95 G CA 0.305 45.496 45.100 0.152 0.000 0.775 95 G HN 0.302 nan 8.290 nan 0.000 0.501 96 V N 1.920 121.746 119.914 -0.147 0.000 2.328 96 V HA 0.425 4.545 4.120 0.000 0.000 0.278 96 V C -1.532 174.408 176.094 -0.257 0.000 1.021 96 V CA -1.886 60.189 62.300 -0.376 0.000 0.838 96 V CB 1.637 33.051 31.823 -0.682 0.000 0.999 96 V HN 0.211 nan 8.190 nan 0.000 0.447 97 P HA 0.113 nan 4.420 nan 0.000 0.264 97 P C 0.288 177.507 177.300 -0.135 0.000 1.183 97 P CA 0.460 63.427 63.100 -0.222 0.000 0.763 97 P CB 0.106 31.744 31.700 -0.103 0.000 0.807 98 F N -0.691 119.219 119.950 -0.068 0.000 2.871 98 F HA -0.254 4.273 4.527 0.000 0.000 0.326 98 F C 1.207 176.945 175.800 -0.104 0.000 0.675 98 F CA 0.372 58.341 58.000 -0.050 0.000 1.188 98 F CB -1.645 37.362 39.000 0.012 0.000 1.567 98 F HN 0.278 nan 8.300 nan 0.000 0.325 99 L N -2.486 118.668 121.223 -0.114 0.000 2.588 99 L HA 0.149 4.490 4.340 0.000 0.000 0.194 99 L C 1.896 178.660 176.870 -0.178 0.000 1.070 99 L CA 1.650 56.369 54.840 -0.202 0.000 0.852 99 L CB -0.281 41.529 42.059 -0.416 0.000 1.199 99 L HN 0.182 nan 8.230 nan 0.000 0.486 100 T N -0.866 113.583 114.554 -0.175 0.000 2.958 100 T HA 0.175 4.525 4.350 0.000 0.000 0.256 100 T C -0.057 174.611 174.700 -0.053 0.000 0.983 100 T CA -0.037 61.987 62.100 -0.126 0.000 0.924 100 T CB 0.692 69.494 68.868 -0.110 0.000 1.136 100 T HN 0.401 nan 8.240 nan 0.000 0.506 101 Q N -0.171 119.578 119.800 -0.085 0.000 2.687 101 Q HA 0.578 4.918 4.340 0.000 0.000 0.295 101 Q C -0.857 174.999 176.000 -0.240 0.000 0.920 101 Q CA -1.249 54.513 55.803 -0.068 0.000 0.766 101 Q CB 0.575 29.322 28.738 0.015 0.000 1.467 101 Q HN 0.313 nan 8.270 nan 0.000 0.415 102 c N -1.434 117.013 118.600 -0.255 0.000 2.362 102 c HA 0.820 5.390 4.570 0.000 0.000 0.363 102 c C -2.225 171.664 174.090 -0.336 0.000 1.220 102 c CA -1.735 54.322 56.329 -0.454 0.000 2.379 102 c CB 0.017 42.353 42.510 -0.290 0.000 2.351 102 c HN 0.661 nan 8.230 nan 0.000 0.582 103 P HA 0.311 nan 4.420 nan 0.000 0.272 103 P C -0.588 176.674 177.300 -0.063 0.000 1.223 103 P CA -0.118 62.896 63.100 -0.143 0.000 0.784 103 P CB 0.241 31.911 31.700 -0.050 0.000 0.923 104 I N 1.120 121.685 120.570 -0.009 0.000 2.347 104 I HA 0.241 4.411 4.170 0.000 0.000 0.294 104 I C 0.957 177.098 176.117 0.040 0.000 1.090 104 I CA -0.414 60.891 61.300 0.009 0.000 1.314 104 I CB 0.036 38.061 38.000 0.041 0.000 1.423 104 I HN 0.307 nan 8.210 nan 0.000 0.503 105 A N 8.812 131.650 122.820 0.031 0.000 2.407 105 A HA 0.445 4.765 4.320 0.000 0.000 0.248 105 A C -2.288 175.333 177.584 0.062 0.000 1.082 105 A CA -1.335 50.732 52.037 0.050 0.000 0.785 105 A CB -0.325 18.698 19.000 0.039 0.000 1.020 105 A HN 0.438 nan 8.150 nan 0.000 0.489 106 P HA 0.163 nan 4.420 nan 0.000 0.260 106 P C 1.076 178.416 177.300 0.067 0.000 1.172 106 P CA 2.162 65.312 63.100 0.083 0.000 0.760 106 P CB 0.421 32.173 31.700 0.087 0.000 0.773 107 G N 1.973 110.814 108.800 0.069 0.000 2.284 107 G HA2 -0.231 3.729 3.960 0.000 0.000 0.230 107 G HA3 -0.231 3.729 3.960 0.000 0.000 0.230 107 G C 0.495 175.421 174.900 0.043 0.000 1.021 107 G CA -0.018 45.115 45.100 0.054 0.000 0.619 107 G HN 0.574 nan 8.290 nan 0.000 0.510 108 S N 0.627 116.352 115.700 0.041 0.000 2.617 108 S HA 0.631 5.101 4.470 0.000 0.000 0.269 108 S C 0.094 174.713 174.600 0.031 0.000 1.292 108 S CA 0.540 58.754 58.200 0.023 0.000 1.010 108 S CB 1.540 64.746 63.200 0.009 0.000 0.944 108 S HN 0.468 nan 8.310 nan 0.000 0.536 109 T N 2.580 117.142 114.554 0.013 0.000 2.847 109 T HA 0.431 4.782 4.350 0.000 0.000 0.291 109 T C -0.489 174.202 174.700 -0.014 0.000 0.998 109 T CA -0.409 61.709 62.100 0.031 0.000 0.967 109 T CB 0.888 69.776 68.868 0.034 0.000 0.954 109 T HN 0.585 nan 8.240 nan 0.000 0.441 110 M N 4.670 124.231 119.600 -0.065 0.000 2.300 110 M HA 0.675 5.155 4.480 0.000 0.000 0.348 110 M C -1.257 174.900 176.300 -0.237 0.000 1.151 110 M CA -0.977 54.158 55.300 -0.276 0.000 1.046 110 M CB 0.843 33.142 32.600 -0.502 0.000 1.647 110 M HN 0.490 nan 8.290 nan 0.000 0.451 111 L N 6.282 127.368 121.223 -0.228 0.000 2.257 111 L HA 0.433 4.773 4.340 0.000 0.000 0.290 111 L C -1.950 174.815 176.870 -0.175 0.000 1.044 111 L CA 0.080 54.820 54.840 -0.166 0.000 0.810 111 L CB 0.387 42.407 42.059 -0.064 0.000 1.193 111 L HN 0.667 nan 8.230 nan 0.000 0.425 112 Y N 4.803 125.152 120.300 0.081 0.000 2.425 112 Y HA 0.382 4.933 4.550 0.000 0.000 0.347 112 Y C 0.448 176.417 175.900 0.115 0.000 0.976 112 Y CA -0.249 57.991 58.100 0.232 0.000 1.190 112 Y CB 0.699 39.401 38.460 0.404 0.000 1.136 112 Y HN 0.619 nan 8.280 nan 0.000 0.517 113 N N 6.151 125.021 118.700 0.285 0.000 2.573 113 N HA 0.299 5.039 4.740 0.000 0.000 0.262 113 N C -1.743 173.863 175.510 0.161 0.000 1.029 113 N CA -0.465 52.622 53.050 0.061 0.000 0.882 113 N CB 0.524 39.017 38.487 0.009 0.000 1.204 113 N HN 0.529 nan 8.380 nan 0.000 0.519 114 F N -0.618 119.296 119.950 -0.060 0.000 2.668 114 F HA 0.640 5.167 4.527 0.000 0.000 0.309 114 F C -0.538 175.224 175.800 -0.064 0.000 1.117 114 F CA -0.870 57.093 58.000 -0.062 0.000 0.951 114 F CB 0.727 39.665 39.000 -0.103 0.000 1.323 114 F HN -0.029 nan 8.300 nan 0.000 0.451 115 T N 0.487 115.110 114.554 0.116 0.000 2.936 115 T HA 0.630 4.981 4.350 0.000 0.000 0.282 115 T C -0.612 174.178 174.700 0.150 0.000 1.003 115 T CA -0.763 61.365 62.100 0.046 0.000 1.005 115 T CB 1.935 70.833 68.868 0.050 0.000 1.097 115 T HN 0.581 nan 8.240 nan 0.000 0.532 116 V N 1.846 121.806 119.914 0.076 0.000 2.361 116 V HA 0.221 4.342 4.120 0.000 0.000 0.252 116 V C 0.061 176.164 176.094 0.016 0.000 0.986 116 V CA -0.440 61.903 62.300 0.071 0.000 1.033 116 V CB 0.488 32.356 31.823 0.074 0.000 1.282 116 V HN 0.870 nan 8.190 nan 0.000 0.514 117 D N 0.811 121.211 120.400 -0.000 0.000 2.333 117 D HA 0.020 4.660 4.640 0.000 0.000 0.208 117 D C 0.839 176.936 176.300 -0.338 0.000 0.984 117 D CA 1.143 55.007 54.000 -0.228 0.000 0.873 117 D CB 0.611 41.152 40.800 -0.431 0.000 0.935 117 D HN 0.642 nan 8.370 nan 0.000 0.521 118 Y N 0.051 120.381 120.300 0.049 0.000 2.527 118 Y HA 0.273 4.823 4.550 0.000 0.000 0.247 118 Y C -0.028 175.903 175.900 0.052 0.000 1.138 118 Y CA -0.503 57.664 58.100 0.112 0.000 1.228 118 Y CB 0.419 39.018 38.460 0.232 0.000 1.252 118 Y HN -0.248 nan 8.280 nan 0.000 0.531 119 N N -0.326 118.391 118.700 0.027 0.000 2.238 119 N HA 0.657 5.397 4.740 0.000 0.000 0.302 119 N C -1.631 173.906 175.510 0.045 0.000 1.072 119 N CA -0.537 52.452 53.050 -0.101 0.000 0.792 119 N CB 2.815 40.977 38.487 -0.542 0.000 1.425 119 N HN -0.252 nan 8.380 nan 0.000 0.478 120 V N 0.880 120.917 119.914 0.205 0.000 2.841 120 V HA 0.922 5.042 4.120 0.000 0.000 0.310 120 V C 0.540 176.822 176.094 0.313 0.000 1.090 120 V CA 0.129 62.565 62.300 0.226 0.000 0.930 120 V CB 1.278 33.189 31.823 0.146 0.000 1.014 120 V HN 0.962 nan 8.190 nan 0.000 0.425 121 G N 3.989 112.923 108.800 0.223 0.000 2.443 121 G HA2 -0.084 3.876 3.960 0.000 0.000 0.209 121 G HA3 -0.084 3.876 3.960 0.000 0.000 0.209 121 G C -0.238 174.617 174.900 -0.075 0.000 1.176 121 G CA -0.166 44.930 45.100 -0.007 0.000 1.074 121 G HN 0.824 nan 8.290 nan 0.000 0.577 122 T N 1.404 115.726 114.554 -0.388 0.000 2.744 122 T HA 0.688 5.038 4.350 0.000 0.000 0.291 122 T C -0.869 173.476 174.700 -0.592 0.000 0.957 122 T CA 0.316 62.220 62.100 -0.327 0.000 1.002 122 T CB 0.823 69.522 68.868 -0.281 0.000 0.919 122 T HN 0.519 nan 8.240 nan 0.000 0.468 123 Y N 1.033 121.404 120.300 0.118 0.000 2.705 123 Y HA 0.767 5.318 4.550 0.000 0.000 0.332 123 Y C -0.631 175.470 175.900 0.336 0.000 1.157 123 Y CA -1.306 56.915 58.100 0.202 0.000 1.091 123 Y CB 1.616 40.162 38.460 0.143 0.000 1.301 123 Y HN 0.713 nan 8.280 nan 0.000 0.488 124 W N 0.665 122.056 121.300 0.152 0.000 3.075 124 W HA 0.634 5.294 4.660 0.000 0.000 0.334 124 W C -2.333 174.211 176.519 0.041 0.000 1.243 124 W CA -1.991 55.381 57.345 0.045 0.000 1.170 124 W CB 0.309 29.659 29.460 -0.184 0.000 1.452 124 W HN 0.594 nan 8.180 nan 0.000 0.572 125 Y N 0.535 120.771 120.300 -0.107 0.000 2.485 125 Y HA 0.780 5.330 4.550 0.000 0.000 0.345 125 Y C -0.816 174.730 175.900 -0.590 0.000 0.998 125 Y CA -1.261 56.504 58.100 -0.559 0.000 1.059 125 Y CB 1.536 39.769 38.460 -0.379 0.000 1.234 125 Y HN 0.679 nan 8.280 nan 0.000 0.461 126 H N -0.980 117.676 119.070 -0.691 0.000 3.037 126 H HA 0.546 5.102 4.556 0.000 0.000 0.355 126 H C -1.103 173.988 175.328 -0.396 0.000 1.263 126 H CA -1.185 54.475 56.048 -0.646 0.000 1.129 126 H CB 1.092 30.175 29.762 -1.131 0.000 1.861 126 H HN 0.756 nan 8.280 nan 0.000 0.546 127 S N -0.074 115.565 115.700 -0.101 0.000 2.560 127 S HA -0.025 4.445 4.470 0.000 0.000 0.284 127 S C 0.123 174.824 174.600 0.168 0.000 1.327 127 S CA -0.243 57.957 58.200 -0.001 0.000 1.055 127 S CB -0.017 63.190 63.200 0.012 0.000 0.868 127 S HN 0.820 nan 8.310 nan 0.000 0.506 128 H N 3.188 122.304 119.070 0.076 0.000 2.486 128 H HA 0.273 4.830 4.556 0.000 0.000 0.284 128 H C 0.698 176.083 175.328 0.095 0.000 1.103 128 H CA 0.033 56.157 56.048 0.126 0.000 1.089 128 H CB -0.180 29.629 29.762 0.078 0.000 1.603 128 H HN 0.609 nan 8.280 nan 0.000 0.557 129 T N -0.540 114.127 114.554 0.187 0.000 3.560 129 T HA -0.010 4.340 4.350 0.000 0.000 0.350 129 T C 1.275 176.040 174.700 0.108 0.000 1.264 129 T CA -0.427 61.765 62.100 0.153 0.000 0.924 129 T CB 0.685 69.629 68.868 0.126 0.000 1.997 129 T HN 0.209 nan 8.240 nan 0.000 0.553 130 D N 0.855 121.302 120.400 0.079 0.000 2.003 130 D HA -0.027 4.613 4.640 0.000 0.000 0.251 130 D C 1.867 178.116 176.300 -0.085 0.000 1.063 130 D CA 1.439 55.457 54.000 0.031 0.000 0.968 130 D CB -0.571 40.257 40.800 0.046 0.000 1.349 130 D HN 0.633 nan 8.370 nan 0.000 0.514 131 G N -0.561 108.151 108.800 -0.147 0.000 3.192 131 G HA2 -0.012 3.948 3.960 0.000 0.000 0.239 131 G HA3 -0.012 3.948 3.960 0.000 0.000 0.239 131 G C 1.201 175.945 174.900 -0.260 0.000 1.084 131 G CA -0.087 44.806 45.100 -0.346 0.000 0.784 131 G HN 0.198 nan 8.290 nan 0.000 0.540 132 Q N -0.055 119.694 119.800 -0.086 0.000 2.188 132 Q HA -0.359 3.981 4.340 0.000 0.000 0.217 132 Q C 2.086 178.062 176.000 -0.040 0.000 1.018 132 Q CA 2.704 58.496 55.803 -0.019 0.000 0.910 132 Q CB -0.376 28.380 28.738 0.030 0.000 0.979 132 Q HN 0.809 nan 8.270 nan 0.000 0.413 133 Y N -0.388 119.845 120.300 -0.112 0.000 2.293 133 Y HA -0.075 4.476 4.550 0.000 0.000 0.291 133 Y C 1.758 177.637 175.900 -0.036 0.000 1.137 133 Y CA 1.198 59.236 58.100 -0.103 0.000 1.202 133 Y CB -0.355 38.053 38.460 -0.087 0.000 0.990 133 Y HN 0.019 nan 8.280 nan 0.000 0.537 134 E N 0.864 120.781 120.200 -0.471 0.000 2.160 134 E HA -0.186 4.164 4.350 0.000 0.000 0.195 134 E C 0.802 177.402 176.600 -0.001 0.000 0.991 134 E CA 1.392 57.629 56.400 -0.271 0.000 0.810 134 E CB -0.317 29.138 29.700 -0.407 0.000 0.742 134 E HN 0.666 nan 8.360 nan 0.000 0.466 135 D N -0.960 119.434 120.400 -0.011 0.000 2.323 135 D HA 0.079 4.719 4.640 0.000 0.000 0.239 135 D C 1.108 177.530 176.300 0.203 0.000 1.129 135 D CA 0.766 54.821 54.000 0.092 0.000 0.865 135 D CB 0.568 41.454 40.800 0.142 0.000 0.913 135 D HN 0.342 nan 8.370 nan 0.000 0.517 136 G N 1.005 109.971 108.800 0.275 0.000 2.255 136 G HA2 -0.250 3.710 3.960 0.000 0.000 0.196 136 G HA3 -0.250 3.710 3.960 0.000 0.000 0.196 136 G C 0.468 175.396 174.900 0.047 0.000 0.998 136 G CA -0.086 45.263 45.100 0.415 0.000 0.656 136 G HN 0.332 nan 8.290 nan 0.000 0.490 137 M N 2.170 121.640 119.600 -0.217 0.000 3.011 137 M HA 0.455 4.935 4.480 0.000 0.000 0.292 137 M C 0.141 176.067 176.300 -0.624 0.000 1.440 137 M CA 0.241 55.044 55.300 -0.827 0.000 1.552 137 M CB -0.530 31.690 32.600 -0.633 0.000 1.187 137 M HN 0.358 nan 8.290 nan 0.000 0.520 138 K N 2.097 122.117 120.400 -0.635 0.000 2.598 138 K HA 0.852 5.172 4.320 0.000 0.000 0.271 138 K C -1.238 175.022 176.600 -0.567 0.000 0.947 138 K CA -1.171 54.841 56.287 -0.458 0.000 0.854 138 K CB 1.394 33.897 32.500 0.005 0.000 1.401 138 K HN 0.428 nan 8.250 nan 0.000 0.415 139 G N 1.387 109.633 108.800 -0.923 0.000 2.576 139 G HA2 0.451 4.411 3.960 0.000 0.000 0.290 139 G HA3 0.451 4.411 3.960 0.000 0.000 0.290 139 G C -1.507 173.142 174.900 -0.419 0.000 1.442 139 G CA -1.215 43.482 45.100 -0.672 0.000 0.792 139 G HN 0.405 nan 8.290 nan 0.000 0.491 140 L N -0.007 121.178 121.223 -0.063 0.000 2.375 140 L HA 0.601 4.942 4.340 0.000 0.000 0.271 140 L C -0.765 176.303 176.870 0.329 0.000 1.107 140 L CA -0.612 54.296 54.840 0.112 0.000 0.806 140 L CB 1.284 43.341 42.059 -0.002 0.000 1.146 140 L HN 0.431 nan 8.230 nan 0.000 0.447 141 F N 3.439 123.537 119.950 0.246 0.000 2.500 141 F HA 0.544 5.071 4.527 0.000 0.000 0.349 141 F C -0.585 175.342 175.800 0.211 0.000 1.127 141 F CA -0.448 57.713 58.000 0.268 0.000 0.998 141 F CB 0.923 40.135 39.000 0.354 0.000 1.237 141 F HN 0.162 nan 8.300 nan 0.000 0.439 142 I N 7.107 127.692 120.570 0.024 0.000 2.378 142 I HA 0.403 4.574 4.170 0.000 0.000 0.291 142 I C -0.686 175.446 176.117 0.025 0.000 0.992 142 I CA -0.475 60.866 61.300 0.069 0.000 1.154 142 I CB 1.631 39.606 38.000 -0.041 0.000 1.315 142 I HN 0.388 nan 8.210 nan 0.000 0.448 143 I N 6.863 127.542 120.570 0.182 0.000 2.362 143 I HA 0.315 4.485 4.170 0.000 0.000 0.289 143 I C -0.341 175.813 176.117 0.063 0.000 0.994 143 I CA -0.659 60.717 61.300 0.126 0.000 1.158 143 I CB 1.094 39.222 38.000 0.214 0.000 1.315 143 I HN 0.454 nan 8.210 nan 0.000 0.451 144 K N 5.408 125.816 120.400 0.014 0.000 2.118 144 K HA 0.423 4.743 4.320 0.000 0.000 0.267 144 K C -0.803 175.812 176.600 0.026 0.000 0.991 144 K CA -0.782 55.505 56.287 -0.000 0.000 0.916 144 K CB 0.927 33.423 32.500 -0.006 0.000 1.041 144 K HN 0.562 nan 8.250 nan 0.000 0.455 145 D N 1.011 121.433 120.400 0.037 0.000 2.738 145 D HA 0.129 4.770 4.640 0.000 0.000 0.237 145 D C -0.558 175.785 176.300 0.071 0.000 1.123 145 D CA -0.567 53.468 54.000 0.058 0.000 0.856 145 D CB 1.606 42.453 40.800 0.078 0.000 1.552 145 D HN 0.327 nan 8.370 nan 0.000 0.480 146 D N 0.434 120.864 120.400 0.050 0.000 2.264 146 D HA -0.090 4.550 4.640 0.000 0.000 0.208 146 D C 1.026 177.353 176.300 0.045 0.000 0.966 146 D CA 1.073 55.097 54.000 0.040 0.000 0.864 146 D CB -0.020 40.792 40.800 0.020 0.000 0.933 146 D HN 0.450 nan 8.370 nan 0.000 0.499 147 S N -0.108 115.624 115.700 0.052 0.000 2.506 147 S HA 0.177 4.647 4.470 0.000 0.000 0.245 147 S C 0.057 174.660 174.600 0.006 0.000 1.088 147 S CA -0.869 57.342 58.200 0.018 0.000 1.099 147 S CB -0.714 62.491 63.200 0.008 0.000 0.805 147 S HN 0.033 nan 8.310 nan 0.000 0.461 148 F N 4.714 124.605 119.950 -0.100 0.000 2.506 148 F HA 0.340 4.867 4.527 0.000 0.000 0.371 148 F C -1.148 174.495 175.800 -0.261 0.000 1.078 148 F CA -2.229 55.683 58.000 -0.146 0.000 1.195 148 F CB 0.824 39.820 39.000 -0.007 0.000 1.099 148 F HN 0.091 nan 8.300 nan 0.000 0.548 149 P HA -0.141 nan 4.420 nan 0.000 0.221 149 P C -0.704 176.028 177.300 -0.947 0.000 1.150 149 P CA 1.330 63.748 63.100 -1.136 0.000 0.800 149 P CB -0.037 30.512 31.700 -1.917 0.000 0.787 150 Y N -0.208 119.694 120.300 -0.665 0.000 2.420 150 Y HA 0.381 4.931 4.550 0.000 0.000 0.334 150 Y C 0.844 176.762 175.900 0.029 0.000 1.094 150 Y CA -1.279 56.665 58.100 -0.260 0.000 1.126 150 Y CB 0.839 39.162 38.460 -0.228 0.000 1.217 150 Y HN -0.269 nan 8.280 nan 0.000 0.462 151 D N 1.409 121.934 120.400 0.209 0.000 2.225 151 D HA 0.263 4.903 4.640 0.000 0.000 0.249 151 D C -1.092 175.352 176.300 0.240 0.000 1.052 151 D CA 0.123 54.190 54.000 0.111 0.000 0.909 151 D CB 1.391 42.212 40.800 0.035 0.000 1.186 151 D HN 0.545 nan 8.370 nan 0.000 0.431 152 Y N -1.450 118.930 120.300 0.133 0.000 2.581 152 Y HA 0.347 4.897 4.550 0.000 0.000 0.337 152 Y C -0.033 175.885 175.900 0.031 0.000 1.108 152 Y CA -0.914 57.245 58.100 0.098 0.000 1.033 152 Y CB 0.945 39.482 38.460 0.127 0.000 1.318 152 Y HN 0.043 nan 8.280 nan 0.000 0.459 153 D N 0.416 120.905 120.400 0.149 0.000 2.201 153 D HA 0.058 4.698 4.640 0.000 0.000 0.209 153 D C -0.121 176.191 176.300 0.019 0.000 0.961 153 D CA 1.109 55.114 54.000 0.007 0.000 0.861 153 D CB 0.615 41.372 40.800 -0.072 0.000 0.997 153 D HN 0.611 nan 8.370 nan 0.000 0.486 154 E N 0.382 120.582 120.200 0.000 0.000 2.416 154 E HA 0.385 4.735 4.350 0.000 0.000 0.273 154 E C -0.623 176.029 176.600 0.087 0.000 0.935 154 E CA -0.508 55.873 56.400 -0.032 0.000 0.784 154 E CB 2.704 32.183 29.700 -0.369 0.000 1.301 154 E HN 0.171 nan 8.360 nan 0.000 0.454 155 E N 1.136 121.391 120.200 0.092 0.000 2.356 155 E HA 0.751 5.101 4.350 0.000 0.000 0.275 155 E C -0.664 175.933 176.600 -0.005 0.000 0.904 155 E CA -0.913 55.467 56.400 -0.033 0.000 0.757 155 E CB 2.185 31.791 29.700 -0.157 0.000 1.232 155 E HN 0.440 nan 8.360 nan 0.000 0.442 156 L N -1.529 119.632 121.223 -0.102 0.000 2.892 156 L HA 0.797 5.137 4.340 0.000 0.000 0.269 156 L C -1.460 175.247 176.870 -0.271 0.000 1.058 156 L CA -0.808 53.925 54.840 -0.178 0.000 0.923 156 L CB 2.114 44.033 42.059 -0.233 0.000 1.518 156 L HN 0.581 nan 8.230 nan 0.000 0.402 157 S N 0.607 116.131 115.700 -0.294 0.000 2.599 157 S HA 0.832 5.302 4.470 0.000 0.000 0.294 157 S C -0.937 173.438 174.600 -0.374 0.000 1.094 157 S CA -0.720 57.287 58.200 -0.321 0.000 0.931 157 S CB 1.928 64.972 63.200 -0.259 0.000 1.093 157 S HN 0.557 nan 8.310 nan 0.000 0.488 158 L N 1.658 122.640 121.223 -0.402 0.000 2.381 158 L HA 0.492 4.832 4.340 0.000 0.000 0.274 158 L C -0.642 175.995 176.870 -0.388 0.000 0.988 158 L CA -0.537 54.066 54.840 -0.395 0.000 0.824 158 L CB 2.134 43.932 42.059 -0.435 0.000 1.263 158 L HN 0.562 nan 8.230 nan 0.000 0.410 159 S N 4.751 120.249 115.700 -0.336 0.000 2.466 159 S HA 0.492 4.962 4.470 0.000 0.000 0.313 159 S C -0.048 174.358 174.600 -0.323 0.000 1.078 159 S CA -0.608 57.385 58.200 -0.347 0.000 1.115 159 S CB 0.114 63.132 63.200 -0.303 0.000 1.006 159 S HN 0.340 nan 8.310 nan 0.000 0.487 160 L N 2.481 123.485 121.223 -0.364 0.000 2.397 160 L HA 0.641 4.981 4.340 0.000 0.000 0.271 160 L C 0.645 177.336 176.870 -0.298 0.000 1.148 160 L CA -0.195 54.454 54.840 -0.318 0.000 0.825 160 L CB 0.882 42.734 42.059 -0.345 0.000 1.117 160 L HN 0.557 nan 8.230 nan 0.000 0.456 161 S N 0.421 115.980 115.700 -0.235 0.000 2.611 161 S HA 0.360 4.830 4.470 0.000 0.000 0.268 161 S C -1.520 172.997 174.600 -0.138 0.000 1.156 161 S CA -0.842 57.262 58.200 -0.160 0.000 0.817 161 S CB 1.663 64.829 63.200 -0.057 0.000 1.122 161 S HN 0.708 nan 8.310 nan 0.000 0.466 162 E N 1.496 121.658 120.200 -0.063 0.000 2.232 162 E HA 0.345 4.695 4.350 0.000 0.000 0.265 162 E C -1.230 175.507 176.600 0.228 0.000 1.001 162 E CA -0.717 55.669 56.400 -0.022 0.000 0.870 162 E CB 1.135 30.799 29.700 -0.060 0.000 1.175 162 E HN 0.721 nan 8.360 nan 0.000 0.407 163 W N 2.141 123.392 121.300 -0.081 0.000 2.839 163 W HA 0.385 5.045 4.660 0.000 0.000 0.334 163 W C -1.679 174.820 176.519 -0.034 0.000 1.064 163 W CA -0.800 56.552 57.345 0.013 0.000 1.236 163 W CB 1.511 31.009 29.460 0.064 0.000 1.405 163 W HN 0.500 nan 8.180 nan 0.000 0.478 164 Y N 3.051 123.054 120.300 -0.495 0.000 2.419 164 Y HA 0.208 4.759 4.550 0.000 0.000 0.328 164 Y C 1.513 177.176 175.900 -0.394 0.000 1.162 164 Y CA -0.118 57.787 58.100 -0.325 0.000 1.174 164 Y CB 1.431 39.751 38.460 -0.232 0.000 1.228 164 Y HN 0.430 nan 8.280 nan 0.000 0.473 165 H N -0.272 118.735 119.070 -0.106 0.000 2.562 165 H HA 0.093 4.649 4.556 0.000 0.000 0.267 165 H C -0.724 174.568 175.328 -0.059 0.000 0.959 165 H CA 0.136 56.141 56.048 -0.072 0.000 1.204 165 H CB 0.599 30.369 29.762 0.013 0.000 1.430 165 H HN 0.688 nan 8.280 nan 0.000 0.545 166 D N 0.476 120.919 120.400 0.072 0.000 2.252 166 D HA 0.227 4.867 4.640 0.000 0.000 0.245 166 D C -0.655 175.607 176.300 -0.064 0.000 1.009 166 D CA -0.658 53.342 54.000 0.001 0.000 0.870 166 D CB 2.021 42.826 40.800 0.008 0.000 1.251 166 D HN -0.091 nan 8.370 nan 0.000 0.460 167 L N 1.458 122.635 121.223 -0.077 0.000 2.483 167 L HA 0.005 4.345 4.340 0.000 0.000 0.275 167 L C 1.534 178.363 176.870 -0.068 0.000 1.220 167 L CA 0.271 55.069 54.840 -0.070 0.000 0.833 167 L CB 0.476 42.475 42.059 -0.101 0.000 1.102 167 L HN 0.384 nan 8.230 nan 0.000 0.490 168 V N 1.280 121.153 119.914 -0.068 0.000 2.282 168 V HA -0.328 3.792 4.120 0.000 0.000 0.249 168 V C 2.122 178.221 176.094 0.007 0.000 1.057 168 V CA 2.457 64.715 62.300 -0.069 0.000 1.032 168 V CB -0.827 30.893 31.823 -0.171 0.000 0.645 168 V HN 1.083 nan 8.190 nan 0.000 0.447 169 T N -0.265 114.293 114.554 0.007 0.000 2.649 169 T HA -0.277 4.073 4.350 0.000 0.000 0.268 169 T C 1.595 176.303 174.700 0.013 0.000 1.036 169 T CA 1.994 64.103 62.100 0.016 0.000 1.157 169 T CB -0.448 68.414 68.868 -0.011 0.000 0.861 169 T HN 0.571 nan 8.240 nan 0.000 0.445 170 D N 0.962 121.353 120.400 -0.014 0.000 2.103 170 D HA 0.023 4.664 4.640 0.000 0.000 0.199 170 D C 2.269 178.570 176.300 0.002 0.000 0.978 170 D CA 0.771 54.764 54.000 -0.013 0.000 0.829 170 D CB -0.305 40.475 40.800 -0.034 0.000 0.981 170 D HN 0.321 nan 8.370 nan 0.000 0.464 171 L N 1.021 122.240 121.223 -0.005 0.000 2.083 171 L HA -0.144 4.196 4.340 0.000 0.000 0.209 171 L C 2.582 179.476 176.870 0.040 0.000 1.083 171 L CA 1.109 55.926 54.840 -0.038 0.000 0.752 171 L CB -0.728 41.248 42.059 -0.137 0.000 0.899 171 L HN 0.002 nan 8.230 nan 0.000 0.433 172 T N -0.517 114.122 114.554 0.142 0.000 2.803 172 T HA -0.211 4.139 4.350 0.000 0.000 0.269 172 T C 1.825 176.612 174.700 0.145 0.000 1.052 172 T CA 1.248 63.488 62.100 0.234 0.000 1.136 172 T CB -0.164 68.827 68.868 0.204 0.000 0.864 172 T HN 0.338 nan 8.240 nan 0.000 0.467 173 K N 1.412 121.860 120.400 0.080 0.000 2.097 173 K HA -0.074 4.246 4.320 0.000 0.000 0.206 173 K C 2.680 179.303 176.600 0.038 0.000 1.049 173 K CA 1.715 58.030 56.287 0.047 0.000 0.933 173 K CB -0.164 32.358 32.500 0.037 0.000 0.717 173 K HN 0.484 nan 8.250 nan 0.000 0.442 174 S N -0.248 115.481 115.700 0.049 0.000 2.503 174 S HA 0.003 4.473 4.470 0.000 0.000 0.215 174 S C 1.685 176.304 174.600 0.031 0.000 1.003 174 S CA -0.273 57.955 58.200 0.048 0.000 0.910 174 S CB -0.207 63.017 63.200 0.040 0.000 0.790 174 S HN 0.270 nan 8.310 nan 0.000 0.514 175 F N 2.052 121.929 119.950 -0.121 0.000 2.118 175 F HA 0.454 4.981 4.527 0.000 0.000 0.293 175 F C 1.060 176.784 175.800 -0.127 0.000 1.102 175 F CA 0.535 58.432 58.000 -0.172 0.000 1.247 175 F CB -0.125 38.729 39.000 -0.244 0.000 1.017 175 F HN 0.165 nan 8.300 nan 0.000 0.475 176 M N 1.499 120.931 119.600 -0.280 0.000 3.117 176 M HA 0.236 4.716 4.480 0.000 0.000 0.292 176 M C -0.618 175.522 176.300 -0.266 0.000 1.357 176 M CA 0.037 55.100 55.300 -0.395 0.000 1.463 176 M CB -0.036 32.441 32.600 -0.205 0.000 1.105 176 M HN 0.099 nan 8.290 nan 0.000 0.553 177 S N 0.430 115.952 115.700 -0.296 0.000 2.556 177 S HA 0.496 4.966 4.470 0.000 0.000 0.271 177 S C 0.836 175.253 174.600 -0.305 0.000 1.135 177 S CA -0.714 57.325 58.200 -0.268 0.000 0.858 177 S CB 1.123 64.214 63.200 -0.182 0.000 1.114 177 S HN 0.466 nan 8.310 nan 0.000 0.468 178 V N 1.923 121.584 119.914 -0.422 0.000 2.913 178 V HA 0.058 4.178 4.120 0.000 0.000 0.260 178 V C 1.162 177.101 176.094 -0.258 0.000 1.098 178 V CA 1.240 63.331 62.300 -0.349 0.000 1.121 178 V CB -1.609 29.999 31.823 -0.358 0.000 0.714 178 V HN 0.875 nan 8.190 nan 0.000 0.487 179 Y N 0.881 121.150 120.300 -0.053 0.000 2.462 179 Y HA 0.356 4.906 4.550 0.000 0.000 0.293 179 Y C 1.253 177.117 175.900 -0.060 0.000 1.195 179 Y CA 0.127 58.200 58.100 -0.046 0.000 1.276 179 Y CB -0.098 38.339 38.460 -0.038 0.000 1.082 179 Y HN 0.407 nan 8.280 nan 0.000 0.514 180 N N 0.363 119.056 118.700 -0.012 0.000 2.733 180 N HA 0.218 4.958 4.740 0.000 0.000 0.271 180 N C -2.533 172.917 175.510 -0.100 0.000 1.720 180 N CA -2.172 50.844 53.050 -0.056 0.000 0.803 180 N CB 0.768 39.191 38.487 -0.106 0.000 1.208 180 N HN -0.140 nan 8.380 nan 0.000 0.498 181 P HA 0.035 nan 4.420 nan 0.000 0.225 181 P C 0.813 178.084 177.300 -0.047 0.000 1.156 181 P CA 0.904 63.971 63.100 -0.055 0.000 0.787 181 P CB 0.263 31.949 31.700 -0.022 0.000 0.802 182 T N -1.748 112.787 114.554 -0.032 0.000 2.962 182 T HA 0.099 4.449 4.350 0.000 0.000 0.270 182 T C 1.648 176.344 174.700 -0.006 0.000 1.088 182 T CA 1.121 63.217 62.100 -0.007 0.000 1.127 182 T CB -1.032 67.842 68.868 0.011 0.000 0.883 182 T HN 0.278 nan 8.240 nan 0.000 0.493 183 G N 1.708 110.469 108.800 -0.065 0.000 2.153 183 G HA2 -0.114 3.846 3.960 0.000 0.000 0.252 183 G HA3 -0.114 3.846 3.960 0.000 0.000 0.252 183 G C 0.250 175.192 174.900 0.069 0.000 0.994 183 G CA -0.105 44.941 45.100 -0.091 0.000 0.698 183 G HN 1.011 nan 8.290 nan 0.000 0.521 184 A N 0.780 123.632 122.820 0.054 0.000 2.561 184 A HA 0.456 4.776 4.320 0.000 0.000 0.251 184 A C 0.968 178.620 177.584 0.114 0.000 1.062 184 A CA 0.788 52.872 52.037 0.078 0.000 0.761 184 A CB 0.148 19.163 19.000 0.025 0.000 0.986 184 A HN 0.905 nan 8.150 nan 0.000 0.510 185 E N 4.261 124.450 120.200 -0.018 0.000 2.338 185 E HA 0.307 4.657 4.350 0.000 0.000 0.272 185 E C -2.538 173.652 176.600 -0.684 0.000 1.029 185 E CA -1.894 54.174 56.400 -0.554 0.000 0.872 185 E CB 0.169 29.353 29.700 -0.860 0.000 1.015 185 E HN 0.448 nan 8.360 nan 0.000 0.417 186 P HA 0.092 nan 4.420 nan 0.000 0.268 186 P C -0.276 176.868 177.300 -0.261 0.000 1.205 186 P CA 0.103 62.839 63.100 -0.607 0.000 0.771 186 P CB 0.441 31.649 31.700 -0.821 0.000 0.858 187 I N 4.864 125.399 120.570 -0.059 0.000 2.371 187 I HA 0.260 4.430 4.170 0.000 0.000 0.290 187 I C -1.659 174.449 176.117 -0.015 0.000 1.028 187 I CA -2.393 58.915 61.300 0.014 0.000 1.345 187 I CB 0.619 38.585 38.000 -0.056 0.000 1.407 187 I HN 0.216 nan 8.210 nan 0.000 0.501 188 P HA 0.168 nan 4.420 nan 0.000 0.274 188 P C -0.483 176.667 177.300 -0.250 0.000 1.256 188 P CA -0.254 62.465 63.100 -0.634 0.000 0.795 188 P CB 1.085 32.430 31.700 -0.592 0.000 1.038 189 Q N -0.644 119.030 119.800 -0.211 0.000 2.396 189 Q HA 0.242 4.582 4.340 0.000 0.000 0.220 189 Q C 0.099 176.115 176.000 0.026 0.000 0.900 189 Q CA 0.976 56.678 55.803 -0.168 0.000 0.925 189 Q CB 0.235 28.681 28.738 -0.485 0.000 1.065 189 Q HN 0.420 nan 8.270 nan 0.000 0.535 190 N N -1.333 117.467 118.700 0.168 0.000 2.961 190 N HA 0.316 5.056 4.740 0.000 0.000 0.245 190 N C -1.691 173.926 175.510 0.179 0.000 1.404 190 N CA -0.467 52.725 53.050 0.236 0.000 0.880 190 N CB 1.205 39.808 38.487 0.194 0.000 1.461 190 N HN -0.049 nan 8.380 nan 0.000 0.510 191 L N 1.866 123.113 121.223 0.041 0.000 2.350 191 L HA 0.584 4.924 4.340 0.000 0.000 0.275 191 L C 0.296 177.105 176.870 -0.101 0.000 1.099 191 L CA -0.650 54.085 54.840 -0.175 0.000 0.808 191 L CB 0.583 42.439 42.059 -0.339 0.000 1.149 191 L HN 0.523 nan 8.230 nan 0.000 0.442 192 I N 0.561 121.055 120.570 -0.126 0.000 2.892 192 I HA 0.778 4.948 4.170 0.000 0.000 0.306 192 I C -0.762 175.245 176.117 -0.182 0.000 1.078 192 I CA -1.013 60.198 61.300 -0.148 0.000 1.032 192 I CB 2.239 40.134 38.000 -0.175 0.000 1.229 192 I HN 0.240 nan 8.210 nan 0.000 0.435 193 V N 0.755 120.555 119.914 -0.189 0.000 2.656 193 V HA 0.536 4.656 4.120 0.000 0.000 0.307 193 V C 0.010 175.985 176.094 -0.199 0.000 1.051 193 V CA -0.785 61.395 62.300 -0.200 0.000 0.893 193 V CB 1.042 32.753 31.823 -0.187 0.000 0.999 193 V HN 0.933 nan 8.190 nan 0.000 0.426 194 N N 3.209 121.781 118.700 -0.214 0.000 2.710 194 N HA -0.246 4.495 4.740 0.000 0.000 0.249 194 N C 0.498 175.896 175.510 -0.187 0.000 1.059 194 N CA 1.291 54.218 53.050 -0.204 0.000 0.720 194 N CB -1.149 37.225 38.487 -0.188 0.000 0.983 194 N HN 1.014 nan 8.380 nan 0.000 0.544 195 N N -2.971 115.610 118.700 -0.199 0.000 2.747 195 N HA -0.209 4.531 4.740 0.000 0.000 0.249 195 N C -0.173 175.230 175.510 -0.178 0.000 1.107 195 N CA 1.606 54.541 53.050 -0.192 0.000 0.707 195 N CB -1.499 36.918 38.487 -0.116 0.000 1.054 195 N HN 0.767 nan 8.380 nan 0.000 0.555 196 T N -3.906 110.539 114.554 -0.181 0.000 2.647 196 T HA 0.736 5.086 4.350 0.000 0.000 0.295 196 T C -0.049 174.558 174.700 -0.154 0.000 1.126 196 T CA -0.898 61.107 62.100 -0.158 0.000 1.040 196 T CB 2.265 71.071 68.868 -0.103 0.000 1.472 196 T HN -0.017 nan 8.240 nan 0.000 0.500 197 M N 1.332 120.861 119.600 -0.119 0.000 2.777 197 M HA 0.423 4.903 4.480 0.000 0.000 0.307 197 M C -0.669 175.549 176.300 -0.138 0.000 1.228 197 M CA -0.640 54.588 55.300 -0.120 0.000 0.871 197 M CB 1.507 34.065 32.600 -0.071 0.000 1.721 197 M HN 1.040 nan 8.290 nan 0.000 0.487 198 N N 0.278 118.851 118.700 -0.212 0.000 2.678 198 N HA -0.198 4.542 4.740 0.000 0.000 0.268 198 N C -1.225 174.084 175.510 -0.336 0.000 1.010 198 N CA 0.130 52.958 53.050 -0.370 0.000 0.784 198 N CB -1.650 36.757 38.487 -0.134 0.000 0.905 198 N HN 0.496 nan 8.380 nan 0.000 0.552 199 L N -0.193 120.826 121.223 -0.340 0.000 2.418 199 L HA 0.537 4.877 4.340 0.000 0.000 0.265 199 L C 0.098 176.903 176.870 -0.108 0.000 1.143 199 L CA 0.117 54.854 54.840 -0.171 0.000 0.809 199 L CB 1.257 43.225 42.059 -0.153 0.000 1.124 199 L HN 0.348 nan 8.230 nan 0.000 0.456 200 T N 3.703 118.291 114.554 0.056 0.000 2.795 200 T HA 0.281 4.631 4.350 0.000 0.000 0.282 200 T C -1.461 173.345 174.700 0.177 0.000 0.980 200 T CA 0.123 62.319 62.100 0.160 0.000 1.012 200 T CB 0.510 69.478 68.868 0.168 0.000 0.936 200 T HN 0.560 nan 8.240 nan 0.000 0.457 201 W N 4.188 125.456 121.300 -0.052 0.000 2.393 201 W HA 0.420 5.080 4.660 0.000 0.000 0.315 201 W C -0.729 175.711 176.519 -0.132 0.000 1.009 201 W CA -1.485 55.791 57.345 -0.114 0.000 1.313 201 W CB 0.365 29.723 29.460 -0.169 0.000 1.269 201 W HN 0.606 nan 8.180 nan 0.000 0.420 202 E N 4.532 124.688 120.200 -0.073 0.000 2.223 202 E HA 0.300 4.650 4.350 0.000 0.000 0.282 202 E C -0.006 176.309 176.600 -0.477 0.000 1.046 202 E CA -0.305 55.953 56.400 -0.237 0.000 0.857 202 E CB 1.309 30.967 29.700 -0.069 0.000 1.055 202 E HN 0.346 nan 8.360 nan 0.000 0.409 203 V N 0.449 119.945 119.914 -0.696 0.000 2.994 203 V HA 0.437 4.558 4.120 0.000 0.000 0.318 203 V C -0.369 175.486 176.094 -0.398 0.000 1.085 203 V CA -1.171 60.665 62.300 -0.774 0.000 0.998 203 V CB 1.976 32.959 31.823 -1.399 0.000 1.063 203 V HN 0.446 nan 8.190 nan 0.000 0.447 204 Q N 2.001 121.716 119.800 -0.143 0.000 2.235 204 Q HA 0.548 4.888 4.340 0.000 0.000 0.256 204 Q C -2.663 173.304 176.000 -0.054 0.000 0.951 204 Q CA -2.271 53.496 55.803 -0.060 0.000 0.890 204 Q CB 1.933 30.680 28.738 0.015 0.000 1.279 204 Q HN 0.632 nan 8.270 nan 0.000 0.444 205 P HA -0.075 nan 4.420 nan 0.000 0.269 205 P C -0.380 176.946 177.300 0.043 0.000 1.215 205 P CA 0.196 63.365 63.100 0.116 0.000 0.780 205 P CB 0.384 32.168 31.700 0.141 0.000 0.898 206 D N -0.423 119.983 120.400 0.010 0.000 2.735 206 D HA -0.132 4.508 4.640 0.000 0.000 0.235 206 D C -1.072 175.176 176.300 -0.087 0.000 1.175 206 D CA 1.132 55.113 54.000 -0.032 0.000 0.683 206 D CB -1.213 39.663 40.800 0.127 0.000 1.008 206 D HN 0.298 nan 8.370 nan 0.000 0.416 207 T N 0.947 115.313 114.554 -0.313 0.000 2.921 207 T HA 0.469 4.819 4.350 0.000 0.000 0.297 207 T C -0.180 174.470 174.700 -0.082 0.000 1.013 207 T CA -0.722 61.299 62.100 -0.132 0.000 0.990 207 T CB 1.851 70.642 68.868 -0.128 0.000 1.023 207 T HN -0.034 nan 8.240 nan 0.000 0.447 208 T N 3.523 118.174 114.554 0.162 0.000 2.743 208 T HA 0.407 4.757 4.350 0.000 0.000 0.293 208 T C -0.814 173.966 174.700 0.133 0.000 0.945 208 T CA -0.173 62.108 62.100 0.302 0.000 1.030 208 T CB -0.091 68.993 68.868 0.359 0.000 0.912 208 T HN 0.372 nan 8.240 nan 0.000 0.483 209 Y N 2.136 122.556 120.300 0.201 0.000 2.341 209 Y HA 0.490 5.040 4.550 0.000 0.000 0.337 209 Y C 0.041 175.985 175.900 0.073 0.000 1.014 209 Y CA -1.231 56.975 58.100 0.176 0.000 1.111 209 Y CB 1.210 39.844 38.460 0.291 0.000 1.194 209 Y HN 0.449 nan 8.280 nan 0.000 0.462 210 L N 5.421 126.651 121.223 0.012 0.000 2.283 210 L HA 0.369 4.709 4.340 0.000 0.000 0.287 210 L C -1.072 175.702 176.870 -0.160 0.000 1.073 210 L CA 0.023 54.729 54.840 -0.222 0.000 0.822 210 L CB 0.053 41.613 42.059 -0.831 0.000 1.186 210 L HN 0.612 nan 8.230 nan 0.000 0.436 211 L N 6.430 127.582 121.223 -0.120 0.000 2.276 211 L HA 0.509 4.849 4.340 0.000 0.000 0.286 211 L C -0.380 176.348 176.870 -0.237 0.000 1.024 211 L CA -0.651 54.064 54.840 -0.209 0.000 0.826 211 L CB 0.508 42.450 42.059 -0.195 0.000 1.211 211 L HN 0.663 nan 8.230 nan 0.000 0.422 212 R N 6.189 126.520 120.500 -0.283 0.000 2.205 212 R HA 0.427 4.767 4.340 0.000 0.000 0.342 212 R C -0.841 175.253 176.300 -0.343 0.000 1.058 212 R CA -0.306 55.627 56.100 -0.279 0.000 0.904 212 R CB 0.590 30.732 30.300 -0.264 0.000 1.089 212 R HN 0.530 nan 8.270 nan 0.000 0.471 213 I N 3.286 123.641 120.570 -0.358 0.000 2.315 213 I HA 0.251 4.421 4.170 0.000 0.000 0.291 213 I C -0.310 175.556 176.117 -0.419 0.000 1.006 213 I CA -0.884 60.121 61.300 -0.491 0.000 1.265 213 I CB 1.522 39.107 38.000 -0.692 0.000 1.387 213 I HN 0.198 nan 8.210 nan 0.000 0.475 214 V N 5.164 124.796 119.914 -0.470 0.000 2.487 214 V HA 0.308 4.428 4.120 0.000 0.000 0.298 214 V C -0.114 175.630 176.094 -0.583 0.000 1.028 214 V CA -0.758 61.227 62.300 -0.525 0.000 0.860 214 V CB 1.829 33.320 31.823 -0.553 0.000 0.991 214 V HN 0.675 nan 8.190 nan 0.000 0.427 215 N N 3.871 122.206 118.700 -0.608 0.000 2.521 215 N HA 0.130 4.870 4.740 0.000 0.000 0.236 215 N C 0.452 175.490 175.510 -0.788 0.000 1.067 215 N CA -0.307 52.392 53.050 -0.584 0.000 0.939 215 N CB 1.483 39.682 38.487 -0.480 0.000 1.201 215 N HN 0.616 nan 8.380 nan 0.000 0.511 216 V N 1.395 120.860 119.914 -0.748 0.000 3.415 216 V HA 0.461 4.581 4.120 0.000 0.000 0.325 216 V C 1.197 177.158 176.094 -0.221 0.000 1.313 216 V CA -0.428 61.358 62.300 -0.857 0.000 1.228 216 V CB -0.692 30.779 31.823 -0.587 0.000 1.131 216 V HN 0.383 nan 8.190 nan 0.000 0.433 217 G N 0.233 108.917 108.800 -0.193 0.000 2.634 217 G HA2 0.453 4.413 3.960 0.000 0.000 0.255 217 G HA3 0.453 4.413 3.960 0.000 0.000 0.255 217 G C 0.876 175.846 174.900 0.118 0.000 1.205 217 G CA 0.000 45.088 45.100 -0.020 0.000 0.884 217 G HN 0.540 nan 8.290 nan 0.000 0.549 218 G N -1.680 107.132 108.800 0.021 0.000 2.921 218 G HA2 0.282 4.242 3.960 0.000 0.000 0.213 218 G HA3 0.282 4.242 3.960 0.000 0.000 0.213 218 G C 0.542 175.473 174.900 0.051 0.000 1.143 218 G CA 0.661 45.676 45.100 -0.142 0.000 0.764 218 G HN 0.458 nan 8.290 nan 0.000 0.542 219 F N -0.397 119.544 119.950 -0.015 0.000 1.835 219 F HA 0.485 5.013 4.527 0.000 0.000 0.231 219 F C 0.108 175.921 175.800 0.022 0.000 1.216 219 F CA -0.584 57.448 58.000 0.055 0.000 1.310 219 F CB 0.247 39.423 39.000 0.294 0.000 1.827 219 F HN -0.113 nan 8.300 nan 0.000 0.352 220 V N 2.734 122.405 119.914 -0.404 0.000 2.583 220 V HA 0.434 4.554 4.120 0.000 0.000 0.287 220 V C 0.086 175.913 176.094 -0.446 0.000 1.051 220 V CA -0.239 61.678 62.300 -0.637 0.000 1.010 220 V CB 1.080 32.655 31.823 -0.414 0.000 0.988 220 V HN 0.473 nan 8.190 nan 0.000 0.478 221 S N 5.558 120.977 115.700 -0.468 0.000 2.585 221 S HA 0.375 4.845 4.470 0.000 0.000 0.273 221 S C -0.392 173.814 174.600 -0.658 0.000 1.339 221 S CA -0.365 57.449 58.200 -0.643 0.000 1.028 221 S CB 0.725 63.402 63.200 -0.872 0.000 0.906 221 S HN 0.824 nan 8.310 nan 0.000 0.528 222 Q N 0.387 119.721 119.800 -0.777 0.000 2.372 222 Q HA 0.406 4.746 4.340 0.000 0.000 0.273 222 Q C -1.658 174.008 176.000 -0.556 0.000 1.078 222 Q CA -0.609 54.881 55.803 -0.521 0.000 0.806 222 Q CB 1.714 30.218 28.738 -0.391 0.000 1.332 222 Q HN 0.613 nan 8.270 nan 0.000 0.435 223 Y N 1.006 121.196 120.300 -0.182 0.000 2.308 223 Y HA 0.460 5.010 4.550 0.000 0.000 0.329 223 Y C -0.563 175.442 175.900 0.175 0.000 1.111 223 Y CA -0.406 57.734 58.100 0.067 0.000 1.179 223 Y CB 0.736 39.391 38.460 0.325 0.000 1.201 223 Y HN 0.492 nan 8.280 nan 0.000 0.483 224 F N 4.464 124.547 119.950 0.221 0.000 2.547 224 F HA 0.683 5.210 4.527 0.000 0.000 0.316 224 F C -1.618 174.364 175.800 0.304 0.000 1.121 224 F CA -1.269 56.759 58.000 0.046 0.000 0.911 224 F CB 1.111 40.026 39.000 -0.142 0.000 1.179 224 F HN 0.646 nan 8.300 nan 0.000 0.443 225 W N 5.651 126.566 121.300 -0.642 0.000 3.146 225 W HA 0.756 5.416 4.660 0.000 0.000 0.319 225 W C -2.556 173.687 176.519 -0.461 0.000 1.258 225 W CA -1.400 55.730 57.345 -0.359 0.000 1.189 225 W CB 0.644 30.045 29.460 -0.099 0.000 1.412 225 W HN 0.434 nan 8.180 nan 0.000 0.567 226 I N 2.408 122.986 120.570 0.014 0.000 2.389 226 I HA 0.146 4.316 4.170 0.000 0.000 0.288 226 I C 0.283 176.539 176.117 0.231 0.000 0.999 226 I CA -1.014 60.295 61.300 0.015 0.000 1.129 226 I CB 1.699 39.733 38.000 0.056 0.000 1.288 226 I HN 0.627 nan 8.210 nan 0.000 0.444 227 E N 6.359 126.709 120.200 0.250 0.000 2.652 227 E HA -0.180 4.170 4.350 0.000 0.000 0.255 227 E C -0.086 176.707 176.600 0.323 0.000 0.952 227 E CA 0.594 57.195 56.400 0.335 0.000 0.947 227 E CB 0.239 30.157 29.700 0.363 0.000 0.912 227 E HN 0.594 nan 8.360 nan 0.000 0.489 228 D N 2.179 122.686 120.400 0.178 0.000 3.039 228 D HA -0.217 4.423 4.640 0.000 0.000 0.222 228 D C -1.238 174.850 176.300 -0.353 0.000 1.179 228 D CA 1.262 55.229 54.000 -0.055 0.000 0.880 228 D CB -1.156 39.612 40.800 -0.054 0.000 1.115 228 D HN 0.506 nan 8.370 nan 0.000 0.416 229 H N -0.003 119.037 119.070 -0.049 0.000 2.744 229 H HA 0.402 4.958 4.556 0.000 0.000 0.339 229 H C 0.044 175.404 175.328 0.054 0.000 1.004 229 H CA -0.578 55.452 56.048 -0.030 0.000 1.257 229 H CB 1.158 30.893 29.762 -0.046 0.000 1.552 229 H HN -0.083 nan 8.280 nan 0.000 0.522 230 E N 2.690 122.972 120.200 0.137 0.000 2.374 230 E HA 0.311 4.661 4.350 0.000 0.000 0.260 230 E C -0.372 176.331 176.600 0.172 0.000 1.101 230 E CA -0.299 56.182 56.400 0.134 0.000 0.907 230 E CB 1.031 30.785 29.700 0.091 0.000 1.014 230 E HN 0.437 nan 8.360 nan 0.000 0.427 231 M N 1.336 121.032 119.600 0.160 0.000 2.253 231 M HA 0.248 4.728 4.480 0.000 0.000 0.314 231 M C -0.979 175.396 176.300 0.125 0.000 1.019 231 M CA -0.550 54.848 55.300 0.163 0.000 0.932 231 M CB 2.079 34.793 32.600 0.190 0.000 1.606 231 M HN 0.299 nan 8.290 nan 0.000 0.430 232 T N 2.865 117.479 114.554 0.100 0.000 2.781 232 T HA 0.369 4.719 4.350 0.000 0.000 0.305 232 T C 0.092 174.818 174.700 0.043 0.000 1.001 232 T CA -0.550 61.581 62.100 0.051 0.000 0.950 232 T CB 0.545 69.413 68.868 0.000 0.000 0.955 232 T HN 0.379 nan 8.240 nan 0.000 0.471 233 V N 4.870 124.827 119.914 0.071 0.000 2.521 233 V HA 0.119 4.239 4.120 0.000 0.000 0.286 233 V C 1.332 177.446 176.094 0.033 0.000 1.034 233 V CA 0.086 62.443 62.300 0.095 0.000 1.045 233 V CB 0.783 32.711 31.823 0.174 0.000 0.974 233 V HN 0.879 nan 8.190 nan 0.000 0.480 234 V N 0.981 120.926 119.914 0.052 0.000 3.451 234 V HA 0.522 4.642 4.120 0.000 0.000 0.288 234 V C 0.253 176.470 176.094 0.205 0.000 1.502 234 V CA 0.213 62.562 62.300 0.083 0.000 1.026 234 V CB 0.313 32.181 31.823 0.075 0.000 0.840 234 V HN 0.841 nan 8.190 nan 0.000 0.437 235 E N 1.204 121.471 120.200 0.112 0.000 2.354 235 E HA 0.526 4.876 4.350 0.000 0.000 0.283 235 E C -1.827 174.716 176.600 -0.095 0.000 0.938 235 E CA -0.717 55.713 56.400 0.050 0.000 0.777 235 E CB 2.962 32.702 29.700 0.068 0.000 1.222 235 E HN 0.547 nan 8.360 nan 0.000 0.423 236 I N 0.329 120.801 120.570 -0.163 0.000 2.498 236 I HA 0.514 4.684 4.170 0.000 0.000 0.290 236 I C -0.717 175.244 176.117 -0.259 0.000 1.032 236 I CA -0.778 60.326 61.300 -0.327 0.000 1.073 236 I CB 1.798 39.529 38.000 -0.448 0.000 1.251 236 I HN 0.376 nan 8.210 nan 0.000 0.426 237 D N 4.728 124.952 120.400 -0.293 0.000 2.686 237 D HA -0.171 4.469 4.640 0.000 0.000 0.235 237 D C 1.277 177.411 176.300 -0.277 0.000 1.160 237 D CA 2.014 55.863 54.000 -0.252 0.000 0.645 237 D CB -1.029 39.670 40.800 -0.168 0.000 1.039 237 D HN 1.373 nan 8.370 nan 0.000 0.423 238 G N -1.314 107.255 108.800 -0.386 0.000 2.212 238 G HA2 -0.316 3.644 3.960 0.000 0.000 0.266 238 G HA3 -0.316 3.644 3.960 0.000 0.000 0.266 238 G C 0.297 175.163 174.900 -0.057 0.000 0.978 238 G CA 0.254 45.160 45.100 -0.323 0.000 0.632 238 G HN 0.489 nan 8.290 nan 0.000 0.537 239 I N 2.907 123.450 120.570 -0.046 0.000 2.291 239 I HA 0.262 4.432 4.170 0.000 0.000 0.290 239 I C 0.841 176.992 176.117 0.056 0.000 1.050 239 I CA -0.317 60.999 61.300 0.028 0.000 1.245 239 I CB 0.264 38.268 38.000 0.007 0.000 1.405 239 I HN 0.015 nan 8.210 nan 0.000 0.478 240 T N 4.680 119.306 114.554 0.119 0.000 2.902 240 T HA 0.126 4.476 4.350 0.000 0.000 0.301 240 T C 0.602 175.415 174.700 0.188 0.000 1.012 240 T CA 0.243 62.445 62.100 0.171 0.000 1.151 240 T CB 0.807 69.753 68.868 0.130 0.000 0.946 240 T HN 0.668 nan 8.240 nan 0.000 0.542 241 T N 2.062 116.743 114.554 0.212 0.000 2.942 241 T HA 0.292 4.642 4.350 0.000 0.000 0.289 241 T C -0.434 174.456 174.700 0.316 0.000 1.044 241 T CA -1.038 61.187 62.100 0.208 0.000 1.023 241 T CB 0.875 69.813 68.868 0.116 0.000 1.123 241 T HN 0.504 nan 8.240 nan 0.000 0.512 242 E N 2.322 122.681 120.200 0.266 0.000 2.373 242 E HA 0.122 4.473 4.350 0.000 0.000 0.267 242 E C -0.038 176.639 176.600 0.128 0.000 1.032 242 E CA -0.139 56.421 56.400 0.267 0.000 0.889 242 E CB 0.533 30.329 29.700 0.160 0.000 0.984 242 E HN 0.502 nan 8.360 nan 0.000 0.425 243 K N 2.476 122.895 120.400 0.032 0.000 2.473 243 K HA -0.062 4.258 4.320 0.000 0.000 0.277 243 K C 0.194 176.798 176.600 0.006 0.000 1.052 243 K CA 0.443 56.674 56.287 -0.093 0.000 1.114 243 K CB 0.063 32.471 32.500 -0.153 0.000 0.869 243 K HN 0.250 nan 8.250 nan 0.000 0.481 244 N N 2.838 121.554 118.700 0.027 0.000 2.448 244 N HA 0.162 4.902 4.740 0.000 0.000 0.279 244 N C -1.418 174.136 175.510 0.073 0.000 1.025 244 N CA -0.505 52.585 53.050 0.066 0.000 0.898 244 N CB 1.504 40.055 38.487 0.106 0.000 1.303 244 N HN 0.119 nan 8.380 nan 0.000 0.495 245 V N 3.068 123.020 119.914 0.064 0.000 2.461 245 V HA 0.484 4.604 4.120 0.000 0.000 0.275 245 V C 0.384 176.530 176.094 0.087 0.000 1.047 245 V CA 0.099 62.441 62.300 0.070 0.000 0.955 245 V CB 0.962 32.816 31.823 0.052 0.000 0.988 245 V HN 0.867 nan 8.190 nan 0.000 0.471 246 T N 0.602 115.221 114.554 0.108 0.000 2.812 246 T HA 0.452 4.803 4.350 0.000 0.000 0.294 246 T C -0.030 174.744 174.700 0.124 0.000 1.159 246 T CA -0.760 61.410 62.100 0.117 0.000 1.008 246 T CB 2.115 71.075 68.868 0.154 0.000 1.289 246 T HN 0.456 nan 8.240 nan 0.000 0.514 247 D N -0.318 120.150 120.400 0.115 0.000 2.392 247 D HA 0.220 4.860 4.640 0.000 0.000 0.206 247 D C 0.228 176.629 176.300 0.169 0.000 1.046 247 D CA 0.363 54.433 54.000 0.117 0.000 0.865 247 D CB 0.767 41.597 40.800 0.051 0.000 0.969 247 D HN 0.419 nan 8.370 nan 0.000 0.509 248 M N 0.935 120.650 119.600 0.191 0.000 2.421 248 M HA 0.333 4.813 4.480 0.000 0.000 0.287 248 M C -2.089 174.391 176.300 0.300 0.000 1.183 248 M CA -0.508 54.957 55.300 0.274 0.000 0.916 248 M CB 2.701 35.425 32.600 0.206 0.000 1.701 248 M HN -0.271 nan 8.290 nan 0.000 0.470 249 L N 3.016 124.403 121.223 0.274 0.000 2.342 249 L HA 0.508 4.848 4.340 0.000 0.000 0.271 249 L C -1.493 175.361 176.870 -0.026 0.000 1.008 249 L CA -0.896 53.982 54.840 0.062 0.000 0.818 249 L CB 2.037 43.964 42.059 -0.220 0.000 1.296 249 L HN 0.647 nan 8.230 nan 0.000 0.427 250 Y N 3.601 123.677 120.300 -0.374 0.000 2.356 250 Y HA 0.591 5.142 4.550 0.000 0.000 0.334 250 Y C -0.711 174.860 175.900 -0.549 0.000 0.958 250 Y CA -0.499 57.158 58.100 -0.738 0.000 1.196 250 Y CB 0.801 38.406 38.460 -1.426 0.000 1.137 250 Y HN 0.352 nan 8.280 nan 0.000 0.485 251 I N 6.530 126.561 120.570 -0.899 0.000 2.382 251 I HA 0.250 4.420 4.170 0.000 0.000 0.286 251 I C 0.278 175.993 176.117 -0.670 0.000 1.002 251 I CA -0.760 60.184 61.300 -0.593 0.000 1.135 251 I CB 1.770 39.462 38.000 -0.513 0.000 1.288 251 I HN 0.631 nan 8.210 nan 0.000 0.448 252 T N 3.490 117.807 114.554 -0.396 0.000 2.788 252 T HA 0.414 4.764 4.350 0.000 0.000 0.287 252 T C 0.476 175.010 174.700 -0.277 0.000 1.007 252 T CA -0.776 61.133 62.100 -0.319 0.000 1.005 252 T CB 1.361 70.221 68.868 -0.014 0.000 1.012 252 T HN 0.400 nan 8.240 nan 0.000 0.530 253 V N 0.055 119.829 119.914 -0.233 0.000 2.872 253 V HA 0.484 4.604 4.120 0.000 0.000 0.307 253 V C 1.509 177.406 176.094 -0.328 0.000 1.072 253 V CA 0.115 62.264 62.300 -0.252 0.000 1.148 253 V CB -0.659 31.117 31.823 -0.079 0.000 0.954 253 V HN 2.277 nan 8.190 nan 0.000 0.490 254 A N 1.391 123.873 122.820 -0.562 0.000 3.907 254 A HA -0.210 4.110 4.320 0.000 0.000 0.257 254 A C 0.781 178.018 177.584 -0.579 0.000 0.945 254 A CA 1.438 53.062 52.037 -0.688 0.000 1.394 254 A CB -2.480 15.942 19.000 -0.964 0.000 1.011 254 A HN 1.668 nan 8.150 nan 0.000 0.829 255 Q N -0.545 119.032 119.800 -0.371 0.000 2.260 255 Q HA 0.723 5.063 4.340 0.000 0.000 0.238 255 Q C -0.370 175.463 176.000 -0.279 0.000 0.948 255 Q CA -0.596 55.068 55.803 -0.233 0.000 0.895 255 Q CB 0.690 29.405 28.738 -0.037 0.000 1.218 255 Q HN 0.464 nan 8.270 nan 0.000 0.470 256 R N 0.963 121.320 120.500 -0.238 0.000 2.513 256 R HA 0.401 4.741 4.340 0.000 0.000 0.301 256 R C -1.605 174.590 176.300 -0.175 0.000 0.968 256 R CA -0.319 55.640 56.100 -0.235 0.000 0.872 256 R CB 1.326 31.442 30.300 -0.306 0.000 1.177 256 R HN 0.606 nan 8.270 nan 0.000 0.444 257 Y N 0.902 121.058 120.300 -0.240 0.000 2.328 257 Y HA 0.398 4.948 4.550 0.000 0.000 0.337 257 Y C 0.151 175.939 175.900 -0.186 0.000 0.966 257 Y CA -0.796 57.205 58.100 -0.164 0.000 1.136 257 Y CB 2.342 40.727 38.460 -0.124 0.000 1.170 257 Y HN 0.418 nan 8.280 nan 0.000 0.470 258 T N 3.884 118.420 114.554 -0.031 0.000 2.795 258 T HA 0.560 4.910 4.350 0.000 0.000 0.282 258 T C -0.707 174.000 174.700 0.012 0.000 0.980 258 T CA -0.566 61.496 62.100 -0.062 0.000 1.012 258 T CB 1.186 69.997 68.868 -0.096 0.000 0.936 258 T HN 0.305 nan 8.240 nan 0.000 0.457 259 V N 4.181 124.091 119.914 -0.008 0.000 2.760 259 V HA 0.449 4.569 4.120 0.000 0.000 0.309 259 V C -0.617 175.508 176.094 0.052 0.000 1.077 259 V CA -0.924 61.401 62.300 0.042 0.000 0.910 259 V CB 2.167 34.024 31.823 0.057 0.000 1.008 259 V HN 0.747 nan 8.190 nan 0.000 0.424 260 L N 4.854 126.125 121.223 0.081 0.000 2.292 260 L HA 0.628 4.968 4.340 0.000 0.000 0.284 260 L C -0.701 176.272 176.870 0.172 0.000 1.065 260 L CA -0.497 54.417 54.840 0.125 0.000 0.806 260 L CB 1.649 43.770 42.059 0.102 0.000 1.175 260 L HN 0.335 nan 8.230 nan 0.000 0.431 261 V N 2.301 122.361 119.914 0.244 0.000 2.483 261 V HA 0.249 4.369 4.120 0.000 0.000 0.297 261 V C -0.877 175.426 176.094 0.348 0.000 1.027 261 V CA -0.653 61.819 62.300 0.285 0.000 0.855 261 V CB 1.740 33.744 31.823 0.302 0.000 0.995 261 V HN 0.627 nan 8.190 nan 0.000 0.424 262 H N 2.939 122.144 119.070 0.226 0.000 2.476 262 H HA 0.600 5.156 4.556 0.000 0.000 0.328 262 H C 0.413 175.891 175.328 0.250 0.000 1.073 262 H CA -0.062 56.117 56.048 0.219 0.000 1.229 262 H CB 1.411 31.263 29.762 0.151 0.000 1.432 262 H HN 0.791 nan 8.280 nan 0.000 0.477 263 T N 2.152 116.580 114.554 -0.210 0.000 2.868 263 T HA 0.262 4.612 4.350 0.000 0.000 0.292 263 T C 0.186 174.918 174.700 0.053 0.000 1.028 263 T CA -1.066 61.056 62.100 0.037 0.000 1.059 263 T CB 0.887 69.737 68.868 -0.029 0.000 0.991 263 T HN 0.672 nan 8.240 nan 0.000 0.531 264 K N 1.900 122.457 120.400 0.261 0.000 2.117 264 K HA 0.287 4.607 4.320 0.000 0.000 0.240 264 K C 0.628 177.310 176.600 0.138 0.000 1.031 264 K CA -0.967 55.386 56.287 0.111 0.000 0.909 264 K CB 0.359 32.821 32.500 -0.063 0.000 1.097 264 K HN 0.395 nan 8.250 nan 0.000 0.492 265 N N 0.716 119.466 118.700 0.083 0.000 2.331 265 N HA -0.059 4.681 4.740 0.000 0.000 0.180 265 N C -0.491 175.061 175.510 0.071 0.000 1.019 265 N CA 0.898 53.998 53.050 0.083 0.000 0.881 265 N CB -0.032 38.492 38.487 0.062 0.000 0.972 265 N HN 0.516 nan 8.380 nan 0.000 0.435 266 D N 0.579 120.995 120.400 0.026 0.000 2.277 266 D HA 0.117 4.757 4.640 0.000 0.000 0.249 266 D C 0.263 176.568 176.300 0.008 0.000 1.134 266 D CA 0.184 54.185 54.000 0.002 0.000 0.863 266 D CB 1.262 42.043 40.800 -0.032 0.000 1.143 266 D HN 0.054 nan 8.370 nan 0.000 0.458 267 T N -0.251 114.344 114.554 0.068 0.000 3.278 267 T HA -0.054 4.297 4.350 0.000 0.000 0.251 267 T C 1.233 175.962 174.700 0.048 0.000 1.039 267 T CA -0.297 61.877 62.100 0.124 0.000 0.935 267 T CB 0.103 69.034 68.868 0.106 0.000 1.034 267 T HN 0.477 nan 8.240 nan 0.000 0.575 268 D N 0.329 120.717 120.400 -0.019 0.000 2.277 268 D HA 0.009 4.649 4.640 0.000 0.000 0.209 268 D C 0.732 176.974 176.300 -0.096 0.000 0.970 268 D CA 0.435 54.407 54.000 -0.046 0.000 0.874 268 D CB 0.366 41.138 40.800 -0.046 0.000 0.982 268 D HN 0.104 nan 8.370 nan 0.000 0.504 269 K N 0.556 120.854 120.400 -0.170 0.000 2.385 269 K HA 0.332 4.652 4.320 0.000 0.000 0.248 269 K C -0.889 175.477 176.600 -0.390 0.000 0.955 269 K CA -0.685 55.405 56.287 -0.329 0.000 0.816 269 K CB 2.042 34.244 32.500 -0.496 0.000 1.250 269 K HN -0.018 nan 8.250 nan 0.000 0.434 270 N N 1.547 120.012 118.700 -0.391 0.000 2.466 270 N HA 0.470 5.211 4.740 0.000 0.000 0.294 270 N C -0.835 174.398 175.510 -0.461 0.000 1.129 270 N CA -0.170 52.751 53.050 -0.214 0.000 0.931 270 N CB 0.789 39.230 38.487 -0.078 0.000 1.193 270 N HN 0.261 nan 8.380 nan 0.000 0.500 271 F N -0.016 120.002 119.950 0.113 0.000 2.563 271 F HA 0.572 5.099 4.527 0.000 0.000 0.316 271 F C 0.364 176.215 175.800 0.086 0.000 1.076 271 F CA -1.168 56.898 58.000 0.110 0.000 0.921 271 F CB 1.414 40.526 39.000 0.186 0.000 1.209 271 F HN 0.357 nan 8.300 nan 0.000 0.462 272 A N 3.231 126.195 122.820 0.240 0.000 2.320 272 A HA 0.646 4.967 4.320 0.000 0.000 0.287 272 A C -0.461 177.106 177.584 -0.027 0.000 1.181 272 A CA -0.381 51.713 52.037 0.095 0.000 0.831 272 A CB -0.108 18.910 19.000 0.029 0.000 1.102 272 A HN 0.715 nan 8.150 nan 0.000 0.513 273 I N 2.777 123.275 120.570 -0.121 0.000 2.325 273 I HA 0.251 4.421 4.170 0.000 0.000 0.291 273 I C -0.023 175.776 176.117 -0.531 0.000 1.019 273 I CA 0.031 61.147 61.300 -0.308 0.000 1.302 273 I CB 1.224 39.122 38.000 -0.170 0.000 1.401 273 I HN 0.652 nan 8.210 nan 0.000 0.485 274 M N 7.352 126.407 119.600 -0.909 0.000 2.311 274 M HA 0.350 4.830 4.480 0.000 0.000 0.325 274 M C -0.920 174.665 176.300 -1.191 0.000 1.061 274 M CA -0.216 54.416 55.300 -1.113 0.000 0.957 274 M CB 1.600 33.200 32.600 -1.667 0.000 1.646 274 M HN 0.517 nan 8.290 nan 0.000 0.434 275 Q N 3.097 122.455 119.800 -0.737 0.000 2.375 275 Q HA 0.672 5.012 4.340 0.000 0.000 0.271 275 Q C -1.421 174.383 176.000 -0.328 0.000 1.074 275 Q CA -1.088 54.442 55.803 -0.455 0.000 0.808 275 Q CB 2.712 31.311 28.738 -0.232 0.000 1.327 275 Q HN 0.587 nan 8.270 nan 0.000 0.441 276 K N 2.554 122.878 120.400 -0.126 0.000 2.468 276 K HA 0.378 4.698 4.320 0.000 0.000 0.252 276 K C -1.374 175.304 176.600 0.129 0.000 0.932 276 K CA -0.792 55.536 56.287 0.069 0.000 0.794 276 K CB 1.587 34.250 32.500 0.272 0.000 1.241 276 K HN 0.599 nan 8.250 nan 0.000 0.428 277 F N 1.726 121.710 119.950 0.057 0.000 2.602 277 F HA -0.075 4.452 4.527 0.000 0.000 0.367 277 F C 1.149 177.049 175.800 0.166 0.000 1.126 277 F CA 0.537 58.558 58.000 0.034 0.000 1.321 277 F CB 0.478 39.476 39.000 -0.003 0.000 1.094 277 F HN 0.504 nan 8.300 nan 0.000 0.594 278 D N 3.275 123.865 120.400 0.318 0.000 2.483 278 D HA 0.005 4.645 4.640 0.000 0.000 0.220 278 D C 0.817 177.257 176.300 0.233 0.000 1.173 278 D CA -0.313 53.904 54.000 0.362 0.000 0.964 278 D CB 0.007 40.907 40.800 0.165 0.000 1.046 278 D HN 0.485 nan 8.370 nan 0.000 0.517 279 D N 1.294 121.824 120.400 0.216 0.000 2.350 279 D HA -0.161 4.479 4.640 0.000 0.000 0.216 279 D C 1.246 177.596 176.300 0.084 0.000 0.968 279 D CA 0.331 54.386 54.000 0.093 0.000 0.894 279 D CB -0.166 40.656 40.800 0.037 0.000 0.909 279 D HN 0.271 nan 8.370 nan 0.000 0.520 280 T N 1.100 115.726 114.554 0.120 0.000 2.685 280 T HA -0.165 4.185 4.350 0.000 0.000 0.268 280 T C 1.907 176.668 174.700 0.101 0.000 1.034 280 T CA 1.535 63.701 62.100 0.111 0.000 1.149 280 T CB -0.206 68.740 68.868 0.130 0.000 0.860 280 T HN 0.260 nan 8.240 nan 0.000 0.449 281 M N 0.184 119.832 119.600 0.080 0.000 2.558 281 M HA 0.200 4.680 4.480 0.000 0.000 0.255 281 M C 0.038 176.480 176.300 0.236 0.000 1.113 281 M CA 0.405 55.763 55.300 0.095 0.000 1.097 281 M CB -0.113 32.423 32.600 -0.107 0.000 1.426 281 M HN 0.114 nan 8.290 nan 0.000 0.488 282 L N 0.686 122.004 121.223 0.159 0.000 2.331 282 L HA 0.081 4.421 4.340 0.000 0.000 0.278 282 L C 1.042 177.985 176.870 0.122 0.000 1.106 282 L CA -0.388 54.557 54.840 0.175 0.000 0.824 282 L CB 0.542 42.620 42.059 0.033 0.000 1.142 282 L HN 0.102 nan 8.230 nan 0.000 0.443 283 D N 2.435 122.901 120.400 0.111 0.000 2.087 283 D HA -0.140 4.500 4.640 0.000 0.000 0.192 283 D C 0.329 176.651 176.300 0.037 0.000 0.993 283 D CA 1.481 55.522 54.000 0.069 0.000 0.828 283 D CB 0.380 41.203 40.800 0.038 0.000 0.968 283 D HN 0.275 nan 8.370 nan 0.000 0.448 284 V N -1.963 117.957 119.914 0.011 0.000 3.102 284 V HA 0.494 4.614 4.120 0.000 0.000 0.312 284 V C -0.223 175.850 176.094 -0.036 0.000 1.135 284 V CA -1.160 61.136 62.300 -0.008 0.000 1.022 284 V CB 1.983 33.798 31.823 -0.013 0.000 1.056 284 V HN 0.046 nan 8.190 nan 0.000 0.436 285 I N 3.518 124.062 120.570 -0.044 0.000 2.306 285 I HA 0.399 4.569 4.170 0.000 0.000 0.288 285 I C -2.075 173.998 176.117 -0.074 0.000 1.036 285 I CA -1.617 59.635 61.300 -0.080 0.000 1.221 285 I CB 1.424 39.382 38.000 -0.070 0.000 1.385 285 I HN 0.554 nan 8.210 nan 0.000 0.472 286 P HA 0.050 nan 4.420 nan 0.000 0.265 286 P C 0.683 177.943 177.300 -0.066 0.000 1.193 286 P CA -0.069 62.986 63.100 -0.074 0.000 0.765 286 P CB 0.756 32.403 31.700 -0.089 0.000 0.823 287 S N 0.743 116.416 115.700 -0.044 0.000 2.507 287 S HA -0.140 4.331 4.470 0.000 0.000 0.235 287 S C 1.105 175.688 174.600 -0.027 0.000 0.988 287 S CA 0.961 59.142 58.200 -0.031 0.000 0.944 287 S CB -0.496 62.692 63.200 -0.020 0.000 0.762 287 S HN 0.656 nan 8.310 nan 0.000 0.526 288 D N 0.683 121.062 120.400 -0.035 0.000 2.367 288 D HA 0.083 4.723 4.640 0.000 0.000 0.207 288 D C 0.523 176.803 176.300 -0.033 0.000 1.034 288 D CA -0.403 53.581 54.000 -0.025 0.000 0.861 288 D CB -0.465 40.322 40.800 -0.022 0.000 0.943 288 D HN 0.365 nan 8.370 nan 0.000 0.515 289 L N 2.309 123.494 121.223 -0.063 0.000 2.500 289 L HA 0.072 4.412 4.340 0.000 0.000 0.272 289 L C 0.136 176.979 176.870 -0.045 0.000 1.149 289 L CA 0.169 54.957 54.840 -0.086 0.000 0.897 289 L CB 0.461 42.410 42.059 -0.183 0.000 1.178 289 L HN -0.097 nan 8.230 nan 0.000 0.473 290 Q N 5.760 125.566 119.800 0.010 0.000 2.301 290 Q HA 0.026 4.366 4.340 0.000 0.000 0.262 290 Q C 0.984 177.056 176.000 0.120 0.000 1.168 290 Q CA 0.295 56.130 55.803 0.054 0.000 0.908 290 Q CB 0.699 29.475 28.738 0.062 0.000 1.348 290 Q HN 0.811 nan 8.270 nan 0.000 0.441 291 L N 2.071 123.352 121.223 0.096 0.000 2.156 291 L HA -0.187 4.154 4.340 0.000 0.000 0.208 291 L C 0.144 177.175 176.870 0.269 0.000 1.095 291 L CA 0.968 55.926 54.840 0.198 0.000 0.770 291 L CB -0.032 42.083 42.059 0.092 0.000 0.914 291 L HN 0.495 nan 8.230 nan 0.000 0.439 292 N N -0.122 118.652 118.700 0.124 0.000 2.284 292 N HA 0.597 5.337 4.740 0.000 0.000 0.300 292 N C -0.891 174.594 175.510 -0.042 0.000 1.047 292 N CA -0.435 52.633 53.050 0.031 0.000 0.821 292 N CB 1.733 40.235 38.487 0.024 0.000 1.337 292 N HN -0.035 nan 8.380 nan 0.000 0.482 293 A N 0.982 123.725 122.820 -0.128 0.000 2.342 293 A HA 0.753 5.073 4.320 0.000 0.000 0.323 293 A C -0.637 176.801 177.584 -0.244 0.000 1.125 293 A CA -0.607 51.338 52.037 -0.153 0.000 0.785 293 A CB 0.759 19.669 19.000 -0.150 0.000 1.221 293 A HN 0.593 nan 8.150 nan 0.000 0.463 294 T N 1.945 116.368 114.554 -0.218 0.000 2.779 294 T HA 0.589 4.939 4.350 0.000 0.000 0.280 294 T C 0.169 174.618 174.700 -0.420 0.000 0.987 294 T CA -0.162 61.784 62.100 -0.257 0.000 0.966 294 T CB 1.235 70.031 68.868 -0.120 0.000 0.933 294 T HN 0.564 nan 8.240 nan 0.000 0.442 295 S N 1.328 116.737 115.700 -0.485 0.000 2.759 295 S HA 0.711 5.181 4.470 0.000 0.000 0.310 295 S C -1.427 172.848 174.600 -0.542 0.000 1.123 295 S CA -0.773 56.988 58.200 -0.733 0.000 0.959 295 S CB 0.783 63.735 63.200 -0.413 0.000 1.172 295 S HN 0.645 nan 8.310 nan 0.000 0.539 296 Y N 0.902 121.197 120.300 -0.009 0.000 2.326 296 Y HA 0.486 5.036 4.550 0.000 0.000 0.331 296 Y C -0.062 175.868 175.900 0.048 0.000 0.962 296 Y CA -0.662 57.444 58.100 0.011 0.000 1.167 296 Y CB 0.991 39.447 38.460 -0.005 0.000 1.148 296 Y HN 0.420 nan 8.280 nan 0.000 0.463 297 M N 4.956 124.669 119.600 0.189 0.000 2.135 297 M HA 0.407 4.887 4.480 0.000 0.000 0.345 297 M C -1.602 174.734 176.300 0.060 0.000 1.340 297 M CA -0.462 54.861 55.300 0.037 0.000 1.162 297 M CB 0.141 32.735 32.600 -0.010 0.000 1.570 297 M HN 0.508 nan 8.290 nan 0.000 0.454 298 V N 7.145 127.013 119.914 -0.077 0.000 2.328 298 V HA 0.134 4.254 4.120 0.000 0.000 0.278 298 V C -0.268 175.765 176.094 -0.102 0.000 1.021 298 V CA -0.263 62.028 62.300 -0.014 0.000 0.838 298 V CB 0.745 32.564 31.823 -0.008 0.000 0.999 298 V HN 0.841 nan 8.190 nan 0.000 0.447 299 Y N 2.079 122.340 120.300 -0.066 0.000 2.397 299 Y HA 0.181 4.731 4.550 0.000 0.000 0.292 299 Y C 1.426 177.301 175.900 -0.042 0.000 1.115 299 Y CA 0.543 58.613 58.100 -0.050 0.000 1.208 299 Y CB 0.383 38.860 38.460 0.029 0.000 1.046 299 Y HN 0.544 nan 8.280 nan 0.000 0.552 300 N N 0.373 119.142 118.700 0.115 0.000 2.491 300 N HA 0.108 4.848 4.740 0.000 0.000 0.274 300 N C 0.134 175.646 175.510 0.003 0.000 1.023 300 N CA -0.124 52.952 53.050 0.043 0.000 0.902 300 N CB 1.105 39.608 38.487 0.027 0.000 1.267 300 N HN 0.061 nan 8.380 nan 0.000 0.503 301 K N 1.045 121.442 120.400 -0.005 0.000 2.281 301 K HA -0.042 4.278 4.320 0.000 0.000 0.203 301 K C 0.586 177.169 176.600 -0.028 0.000 1.046 301 K CA 1.242 57.519 56.287 -0.017 0.000 0.938 301 K CB 0.279 32.772 32.500 -0.012 0.000 0.737 301 K HN 0.477 nan 8.250 nan 0.000 0.458 302 T N 0.213 114.751 114.554 -0.026 0.000 3.014 302 T HA 0.174 4.524 4.350 0.000 0.000 0.250 302 T C 0.789 175.463 174.700 -0.044 0.000 1.060 302 T CA 0.042 62.123 62.100 -0.032 0.000 1.040 302 T CB 0.354 69.209 68.868 -0.022 0.000 0.971 302 T HN 0.219 nan 8.240 nan 0.000 0.497 303 A N 1.557 124.348 122.820 -0.048 0.000 2.292 303 A HA 0.744 5.064 4.320 0.000 0.000 0.265 303 A C 0.695 178.225 177.584 -0.090 0.000 1.133 303 A CA -0.339 51.659 52.037 -0.065 0.000 0.807 303 A CB -0.277 18.682 19.000 -0.068 0.000 1.102 303 A HN 0.457 nan 8.150 nan 0.000 0.502 304 A N -0.293 122.466 122.820 -0.102 0.000 2.488 304 A HA 0.480 4.800 4.320 0.000 0.000 0.249 304 A C 0.140 177.627 177.584 -0.162 0.000 1.083 304 A CA -0.236 51.728 52.037 -0.120 0.000 0.768 304 A CB -0.598 18.339 19.000 -0.106 0.000 1.017 304 A HN 0.703 nan 8.150 nan 0.000 0.496 305 L N 4.758 125.850 121.223 -0.218 0.000 2.455 305 L HA 0.207 4.547 4.340 0.000 0.000 0.272 305 L C -1.509 175.205 176.870 -0.261 0.000 1.174 305 L CA -1.246 53.378 54.840 -0.359 0.000 0.869 305 L CB 0.227 41.928 42.059 -0.597 0.000 1.130 305 L HN 0.558 nan 8.230 nan 0.000 0.474 306 P HA 0.088 nan 4.420 nan 0.000 0.271 306 P C -0.358 176.943 177.300 0.002 0.000 1.216 306 P CA -0.426 62.642 63.100 -0.054 0.000 0.776 306 P CB 0.583 32.306 31.700 0.039 0.000 0.881 307 T N -0.494 114.055 114.554 -0.009 0.000 2.788 307 T HA 0.131 4.481 4.350 0.000 0.000 0.280 307 T C 0.401 175.089 174.700 -0.020 0.000 0.984 307 T CA -0.799 61.302 62.100 0.002 0.000 0.972 307 T CB 0.361 69.232 68.868 0.005 0.000 1.039 307 T HN 0.506 nan 8.240 nan 0.000 0.530 308 Q N 1.005 120.751 119.800 -0.090 0.000 2.315 308 Q HA -0.051 4.289 4.340 0.000 0.000 0.289 308 Q C -0.101 175.757 176.000 -0.237 0.000 1.044 308 Q CA 0.047 55.720 55.803 -0.217 0.000 0.920 308 Q CB 0.249 28.759 28.738 -0.381 0.000 1.214 308 Q HN 0.710 nan 8.270 nan 0.000 0.392 309 N N 4.319 122.944 118.700 -0.125 0.000 2.437 309 N HA 0.073 4.813 4.740 0.000 0.000 0.243 309 N C -1.416 174.145 175.510 0.085 0.000 1.041 309 N CA -0.140 52.937 53.050 0.044 0.000 0.940 309 N CB 0.349 38.954 38.487 0.196 0.000 1.133 309 N HN 0.455 nan 8.380 nan 0.000 0.506 310 Y N 2.039 122.439 120.300 0.166 0.000 2.377 310 Y HA 0.142 4.692 4.550 0.000 0.000 0.330 310 Y C 0.676 176.628 175.900 0.087 0.000 1.108 310 Y CA -0.198 57.980 58.100 0.129 0.000 1.308 310 Y CB 1.093 39.594 38.460 0.069 0.000 1.216 310 Y HN 0.157 nan 8.280 nan 0.000 0.518 311 V N 3.377 123.396 119.914 0.176 0.000 2.667 311 V HA 0.147 4.267 4.120 0.000 0.000 0.308 311 V C 0.142 176.199 176.094 -0.061 0.000 1.048 311 V CA -0.418 61.838 62.300 -0.072 0.000 0.928 311 V CB 2.014 33.533 31.823 -0.506 0.000 1.004 311 V HN 0.916 nan 8.190 nan 0.000 0.444 312 D N 2.539 122.887 120.400 -0.086 0.000 2.234 312 D HA 0.081 4.721 4.640 0.000 0.000 0.205 312 D C 0.534 176.785 176.300 -0.081 0.000 0.962 312 D CA 1.346 55.310 54.000 -0.061 0.000 0.855 312 D CB 0.363 41.133 40.800 -0.051 0.000 0.951 312 D HN 0.561 nan 8.370 nan 0.000 0.500 313 S N -1.090 114.533 115.700 -0.130 0.000 2.537 313 S HA 0.319 4.789 4.470 0.000 0.000 0.270 313 S C -0.274 174.224 174.600 -0.168 0.000 1.142 313 S CA -0.881 57.249 58.200 -0.118 0.000 0.870 313 S CB 0.826 63.978 63.200 -0.081 0.000 1.112 313 S HN 0.189 nan 8.310 nan 0.000 0.466 314 I N 0.174 120.664 120.570 -0.133 0.000 3.889 314 I HA 0.595 4.765 4.170 0.000 0.000 0.332 314 I C -0.318 175.939 176.117 0.233 0.000 1.493 314 I CA -0.290 60.939 61.300 -0.117 0.000 1.158 314 I CB 0.155 37.854 38.000 -0.500 0.000 1.117 314 I HN 0.294 nan 8.210 nan 0.000 0.411 315 D N 0.832 121.292 120.400 0.099 0.000 2.398 315 D HA 0.089 4.729 4.640 0.000 0.000 0.210 315 D C 0.724 176.894 176.300 -0.217 0.000 1.094 315 D CA 0.340 54.355 54.000 0.024 0.000 0.839 315 D CB 0.205 40.993 40.800 -0.021 0.000 0.963 315 D HN 0.318 nan 8.370 nan 0.000 0.506 316 N N 0.721 119.346 118.700 -0.124 0.000 2.275 316 N HA 0.082 4.822 4.740 0.000 0.000 0.236 316 N C -0.049 175.404 175.510 -0.095 0.000 1.154 316 N CA -0.302 52.647 53.050 -0.169 0.000 0.866 316 N CB 0.171 38.605 38.487 -0.089 0.000 1.093 316 N HN 0.182 nan 8.380 nan 0.000 0.515 317 F N 0.162 120.176 119.950 0.108 0.000 2.539 317 F HA 0.203 4.731 4.527 0.000 0.000 0.340 317 F C 0.864 176.755 175.800 0.153 0.000 1.185 317 F CA -1.368 56.723 58.000 0.151 0.000 1.333 317 F CB 0.234 39.376 39.000 0.238 0.000 1.152 317 F HN -0.160 nan 8.300 nan 0.000 0.602 318 L N 2.474 123.928 121.223 0.385 0.000 2.513 318 L HA 0.103 4.443 4.340 0.000 0.000 0.272 318 L C -0.227 176.924 176.870 0.468 0.000 1.187 318 L CA 0.342 55.381 54.840 0.331 0.000 0.895 318 L CB -0.388 41.865 42.059 0.325 0.000 1.147 318 L HN 0.733 nan 8.230 nan 0.000 0.483 319 D N 3.418 124.033 120.400 0.359 0.000 2.393 319 D HA 0.035 4.675 4.640 0.000 0.000 0.232 319 D C 0.769 177.343 176.300 0.457 0.000 1.192 319 D CA -0.238 54.030 54.000 0.447 0.000 0.882 319 D CB 0.778 41.820 40.800 0.403 0.000 1.038 319 D HN 0.687 nan 8.370 nan 0.000 0.499 320 D N 3.059 123.727 120.400 0.447 0.000 2.315 320 D HA -0.259 4.382 4.640 0.000 0.000 0.211 320 D C 1.698 178.116 176.300 0.197 0.000 0.977 320 D CA 0.450 54.645 54.000 0.324 0.000 0.894 320 D CB -0.742 40.243 40.800 0.308 0.000 0.910 320 D HN 0.470 nan 8.370 nan 0.000 0.490 321 F N 0.390 120.356 119.950 0.027 0.000 2.202 321 F HA -0.172 4.355 4.527 0.000 0.000 0.301 321 F C 1.258 176.907 175.800 -0.251 0.000 1.082 321 F CA 1.208 59.096 58.000 -0.186 0.000 1.313 321 F CB -0.140 38.639 39.000 -0.369 0.000 1.024 321 F HN -0.103 nan 8.300 nan 0.000 0.495 322 Y N -0.374 120.064 120.300 0.231 0.000 2.468 322 Y HA 0.200 4.750 4.550 0.000 0.000 0.268 322 Y C 0.329 176.276 175.900 0.077 0.000 1.177 322 Y CA -0.905 57.284 58.100 0.149 0.000 1.265 322 Y CB -0.321 38.262 38.460 0.205 0.000 1.103 322 Y HN -0.201 nan 8.280 nan 0.000 0.522 323 L N 1.109 122.425 121.223 0.155 0.000 2.483 323 L HA -0.005 4.336 4.340 0.000 0.000 0.276 323 L C -0.018 176.885 176.870 0.055 0.000 1.213 323 L CA 0.269 55.172 54.840 0.105 0.000 0.843 323 L CB 0.303 42.404 42.059 0.070 0.000 1.107 323 L HN 0.247 nan 8.230 nan 0.000 0.487 324 Q N 4.104 123.947 119.800 0.071 0.000 2.363 324 Q HA 0.364 4.704 4.340 0.000 0.000 0.265 324 Q C -2.285 173.752 176.000 0.061 0.000 1.032 324 Q CA -1.893 53.943 55.803 0.055 0.000 0.746 324 Q CB 1.573 30.347 28.738 0.060 0.000 1.237 324 Q HN 0.374 nan 8.270 nan 0.000 0.475 325 P HA -0.146 nan 4.420 nan 0.000 0.264 325 P C -0.403 176.947 177.300 0.083 0.000 1.183 325 P CA 0.327 63.468 63.100 0.069 0.000 0.763 325 P CB 0.458 32.181 31.700 0.038 0.000 0.807 326 Y N 2.944 123.252 120.300 0.013 0.000 2.181 326 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 326 Y C 0.803 176.682 175.900 -0.035 0.000 1.146 326 Y CA 1.486 59.580 58.100 -0.011 0.000 1.164 326 Y CB 0.104 38.547 38.460 -0.028 0.000 0.982 326 Y HN 0.375 nan 8.280 nan 0.000 0.515 327 E N 2.114 122.381 120.200 0.111 0.000 1.941 327 E HA 0.094 4.444 4.350 0.000 0.000 0.275 327 E C -0.645 175.943 176.600 -0.019 0.000 1.113 327 E CA -0.241 56.175 56.400 0.027 0.000 0.878 327 E CB 0.335 30.090 29.700 0.093 0.000 1.070 327 E HN 0.262 nan 8.360 nan 0.000 0.399 328 K N 2.745 123.083 120.400 -0.104 0.000 2.412 328 K HA 0.103 4.423 4.320 0.000 0.000 0.281 328 K C -0.124 176.458 176.600 -0.030 0.000 1.027 328 K CA 0.469 56.679 56.287 -0.127 0.000 0.989 328 K CB 0.559 32.850 32.500 -0.349 0.000 0.935 328 K HN 0.398 nan 8.250 nan 0.000 0.475 329 E N 1.234 121.461 120.200 0.046 0.000 2.246 329 E HA 0.297 4.647 4.350 0.000 0.000 0.266 329 E C -1.078 175.587 176.600 0.108 0.000 0.880 329 E CA -0.739 55.688 56.400 0.045 0.000 0.762 329 E CB 1.949 31.621 29.700 -0.048 0.000 1.180 329 E HN 0.671 nan 8.360 nan 0.000 0.416 330 A N 3.437 126.334 122.820 0.127 0.000 2.483 330 A HA 0.141 4.461 4.320 0.000 0.000 0.238 330 A C 0.375 177.809 177.584 -0.251 0.000 1.070 330 A CA -0.242 51.752 52.037 -0.070 0.000 0.770 330 A CB 0.124 19.085 19.000 -0.065 0.000 1.008 330 A HN 0.848 nan 8.150 nan 0.000 0.497 331 I N 1.916 122.318 120.570 -0.280 0.000 2.906 331 I HA -0.045 4.125 4.170 0.000 0.000 0.302 331 I C -0.263 175.741 176.117 -0.188 0.000 1.220 331 I CA 0.177 61.328 61.300 -0.248 0.000 1.441 331 I CB 0.102 38.011 38.000 -0.152 0.000 1.336 331 I HN 0.623 nan 8.210 nan 0.000 0.565 332 Y N 6.078 126.339 120.300 -0.064 0.000 2.578 332 Y HA 0.200 4.750 4.550 0.000 0.000 0.339 332 Y C 1.439 177.299 175.900 -0.066 0.000 1.231 332 Y CA -0.025 58.037 58.100 -0.063 0.000 1.461 332 Y CB 0.409 38.819 38.460 -0.083 0.000 1.323 332 Y HN 0.710 nan 8.280 nan 0.000 0.590 333 G N 1.482 110.365 108.800 0.137 0.000 2.631 333 G HA2 0.010 3.970 3.960 0.000 0.000 0.271 333 G HA3 0.010 3.970 3.960 0.000 0.000 0.271 333 G C -0.500 174.418 174.900 0.031 0.000 1.302 333 G CA -0.766 44.371 45.100 0.061 0.000 1.002 333 G HN 0.545 nan 8.290 nan 0.000 0.519 334 E N 0.872 121.086 120.200 0.024 0.000 2.652 334 E HA 0.036 4.386 4.350 0.000 0.000 0.255 334 E C -1.848 174.737 176.600 -0.025 0.000 0.952 334 E CA -0.689 55.718 56.400 0.012 0.000 0.947 334 E CB 0.345 30.061 29.700 0.026 0.000 0.912 334 E HN 0.094 nan 8.360 nan 0.000 0.489 335 P HA 0.041 nan 4.420 nan 0.000 0.268 335 P C 0.158 177.415 177.300 -0.071 0.000 1.204 335 P CA -0.024 63.019 63.100 -0.094 0.000 0.768 335 P CB 0.617 32.249 31.700 -0.113 0.000 0.842 336 D N -0.129 120.218 120.400 -0.088 0.000 2.289 336 D HA -0.068 4.572 4.640 0.000 0.000 0.207 336 D C 0.221 176.497 176.300 -0.041 0.000 0.966 336 D CA 1.513 55.474 54.000 -0.065 0.000 0.868 336 D CB 0.114 40.868 40.800 -0.075 0.000 0.943 336 D HN 0.436 nan 8.370 nan 0.000 0.514 337 H N 0.227 119.196 119.070 -0.167 0.000 3.018 337 H HA 0.346 4.902 4.556 0.000 0.000 0.334 337 H C -1.504 173.692 175.328 -0.220 0.000 0.983 337 H CA -0.560 55.383 56.048 -0.174 0.000 1.363 337 H CB 0.960 30.604 29.762 -0.195 0.000 1.668 337 H HN -0.343 nan 8.280 nan 0.000 0.513 338 V N 7.721 127.704 119.914 0.115 0.000 2.370 338 V HA 0.328 4.448 4.120 0.000 0.000 0.283 338 V C 0.434 176.443 176.094 -0.141 0.000 1.023 338 V CA -0.518 61.742 62.300 -0.067 0.000 0.857 338 V CB 1.230 33.035 31.823 -0.030 0.000 0.985 338 V HN 0.601 nan 8.190 nan 0.000 0.443 339 I N 4.467 124.816 120.570 -0.370 0.000 2.330 339 I HA 0.349 4.519 4.170 0.000 0.000 0.289 339 I C 0.129 176.035 176.117 -0.351 0.000 1.001 339 I CA -0.017 60.971 61.300 -0.520 0.000 1.193 339 I CB 1.649 39.065 38.000 -0.974 0.000 1.345 339 I HN 0.498 nan 8.210 nan 0.000 0.461 340 T N 6.414 120.856 114.554 -0.188 0.000 2.756 340 T HA 0.489 4.840 4.350 0.000 0.000 0.290 340 T C -0.217 174.456 174.700 -0.045 0.000 0.985 340 T CA -0.550 61.492 62.100 -0.097 0.000 0.955 340 T CB 1.154 70.022 68.868 -0.000 0.000 0.930 340 T HN 0.378 nan 8.240 nan 0.000 0.451 341 V N 0.420 120.290 119.914 -0.073 0.000 2.588 341 V HA 0.707 4.827 4.120 0.000 0.000 0.304 341 V C -1.092 175.067 176.094 0.108 0.000 1.042 341 V CA -1.207 61.123 62.300 0.051 0.000 0.877 341 V CB 1.941 33.734 31.823 -0.049 0.000 0.996 341 V HN 0.589 nan 8.190 nan 0.000 0.425 342 D N 3.015 123.521 120.400 0.176 0.000 2.193 342 D HA 0.605 5.245 4.640 0.000 0.000 0.244 342 D C -0.391 176.010 176.300 0.169 0.000 1.064 342 D CA -0.134 53.944 54.000 0.131 0.000 0.845 342 D CB 2.071 42.929 40.800 0.096 0.000 1.148 342 D HN 0.547 nan 8.370 nan 0.000 0.464 343 V N 3.000 122.967 119.914 0.087 0.000 2.370 343 V HA 0.563 4.683 4.120 0.000 0.000 0.279 343 V C -0.184 175.927 176.094 0.029 0.000 1.029 343 V CA -0.498 61.811 62.300 0.015 0.000 0.870 343 V CB 1.496 33.284 31.823 -0.058 0.000 0.984 343 V HN 0.342 nan 8.190 nan 0.000 0.451 344 V N 6.733 126.693 119.914 0.076 0.000 3.120 344 V HA 0.633 4.753 4.120 0.000 0.000 0.303 344 V C -1.117 175.110 176.094 0.221 0.000 1.238 344 V CA -0.724 61.638 62.300 0.104 0.000 1.008 344 V CB 2.597 34.455 31.823 0.057 0.000 1.064 344 V HN 0.838 nan 8.190 nan 0.000 0.434 345 M N 4.622 124.331 119.600 0.182 0.000 2.264 345 M HA 0.702 5.182 4.480 0.000 0.000 0.352 345 M C -0.680 175.763 176.300 0.238 0.000 1.173 345 M CA 0.123 55.571 55.300 0.245 0.000 1.075 345 M CB 1.072 33.758 32.600 0.143 0.000 1.621 345 M HN 0.748 nan 8.290 nan 0.000 0.457 346 D N 0.753 121.395 120.400 0.402 0.000 2.623 346 D HA 0.343 4.983 4.640 0.000 0.000 0.241 346 D C -1.372 175.138 176.300 0.350 0.000 1.241 346 D CA -0.457 53.689 54.000 0.243 0.000 0.788 346 D CB 1.731 42.501 40.800 -0.051 0.000 1.413 346 D HN 0.530 nan 8.370 nan 0.000 0.429 347 N N 1.382 120.181 118.700 0.166 0.000 2.518 347 N HA 0.376 5.116 4.740 0.000 0.000 0.283 347 N C -0.304 175.461 175.510 0.425 0.000 1.119 347 N CA -0.173 53.004 53.050 0.212 0.000 0.983 347 N CB 1.401 39.909 38.487 0.034 0.000 1.139 347 N HN 0.308 nan 8.380 nan 0.000 0.465 348 L N 1.204 122.710 121.223 0.472 0.000 2.421 348 L HA 0.308 4.648 4.340 0.000 0.000 0.267 348 L C 1.906 178.903 176.870 0.211 0.000 1.036 348 L CA -0.690 54.388 54.840 0.396 0.000 0.829 348 L CB 0.776 43.035 42.059 0.332 0.000 1.437 348 L HN 0.468 nan 8.230 nan 0.000 0.488 349 K N 0.673 121.089 120.400 0.027 0.000 2.211 349 K HA -0.178 4.142 4.320 0.000 0.000 0.204 349 K C 1.410 177.994 176.600 -0.028 0.000 1.047 349 K CA 1.682 57.904 56.287 -0.109 0.000 0.935 349 K CB -0.039 32.403 32.500 -0.097 0.000 0.728 349 K HN 0.671 nan 8.250 nan 0.000 0.452 350 N N -0.491 118.240 118.700 0.051 0.000 2.521 350 N HA -0.053 4.687 4.740 0.000 0.000 0.188 350 N C 1.123 176.652 175.510 0.033 0.000 1.146 350 N CA 1.228 54.305 53.050 0.044 0.000 0.893 350 N CB 0.149 38.684 38.487 0.080 0.000 0.975 350 N HN 0.314 nan 8.380 nan 0.000 0.451 351 G N -0.373 108.474 108.800 0.078 0.000 2.199 351 G HA2 -0.288 3.672 3.960 0.000 0.000 0.254 351 G HA3 -0.288 3.672 3.960 0.000 0.000 0.254 351 G C 0.073 174.974 174.900 0.001 0.000 0.982 351 G CA 0.596 45.735 45.100 0.066 0.000 0.632 351 G HN 0.845 nan 8.290 nan 0.000 0.529 352 V N -1.176 118.715 119.914 -0.038 0.000 2.997 352 V HA 0.709 4.829 4.120 0.000 0.000 0.311 352 V C 0.440 176.372 176.094 -0.270 0.000 1.066 352 V CA -0.643 61.521 62.300 -0.226 0.000 1.039 352 V CB 1.865 33.466 31.823 -0.371 0.000 1.081 352 V HN 0.341 nan 8.190 nan 0.000 0.467 353 N N 2.029 120.495 118.700 -0.390 0.000 2.426 353 N HA 0.349 5.089 4.740 0.000 0.000 0.257 353 N C -1.547 173.725 175.510 -0.398 0.000 1.002 353 N CA -0.251 52.650 53.050 -0.248 0.000 0.942 353 N CB 0.760 39.139 38.487 -0.180 0.000 1.112 353 N HN 0.765 nan 8.380 nan 0.000 0.499 354 Y N 0.810 121.116 120.300 0.010 0.000 2.602 354 Y HA 0.593 5.143 4.550 0.000 0.000 0.330 354 Y C 0.468 176.277 175.900 -0.150 0.000 1.114 354 Y CA -0.914 57.103 58.100 -0.138 0.000 1.182 354 Y CB 1.512 39.768 38.460 -0.340 0.000 1.305 354 Y HN 0.467 nan 8.280 nan 0.000 0.502 355 A N 1.336 124.110 122.820 -0.077 0.000 2.325 355 A HA 0.811 5.131 4.320 0.000 0.000 0.333 355 A C -1.732 175.670 177.584 -0.304 0.000 1.155 355 A CA -0.448 51.548 52.037 -0.068 0.000 0.814 355 A CB 0.238 19.230 19.000 -0.013 0.000 1.206 355 A HN 0.551 nan 8.150 nan 0.000 0.482 356 F N 0.349 120.311 119.950 0.020 0.000 2.529 356 F HA 0.491 5.018 4.527 0.000 0.000 0.320 356 F C -0.573 175.234 175.800 0.011 0.000 1.118 356 F CA -0.363 57.680 58.000 0.071 0.000 0.915 356 F CB 1.951 41.012 39.000 0.101 0.000 1.161 356 F HN 0.500 nan 8.300 nan 0.000 0.445 357 F N 4.306 124.472 119.950 0.360 0.000 2.391 357 F HA 0.268 4.795 4.527 0.000 0.000 0.359 357 F C 0.880 176.922 175.800 0.404 0.000 1.122 357 F CA -0.274 57.898 58.000 0.288 0.000 1.120 357 F CB 0.534 39.618 39.000 0.140 0.000 1.142 357 F HN 0.611 nan 8.300 nan 0.000 0.483 358 N N 1.847 120.844 118.700 0.496 0.000 1.518 358 N HA -0.367 4.373 4.740 0.000 0.000 0.146 358 N C 0.639 176.326 175.510 0.295 0.000 0.621 358 N CA 1.864 55.120 53.050 0.343 0.000 1.108 358 N CB -0.895 37.803 38.487 0.352 0.000 1.310 358 N HN 0.713 nan 8.380 nan 0.000 0.457 359 N N 2.165 121.025 118.700 0.268 0.000 2.238 359 N HA 0.215 4.955 4.740 0.000 0.000 0.222 359 N C -0.331 175.401 175.510 0.370 0.000 1.133 359 N CA 0.128 53.307 53.050 0.215 0.000 0.854 359 N CB 0.222 38.763 38.487 0.089 0.000 1.041 359 N HN 0.582 nan 8.380 nan 0.000 0.510 360 I N 0.606 121.457 120.570 0.468 0.000 2.436 360 I HA 0.241 4.412 4.170 0.000 0.000 0.289 360 I C -0.516 175.799 176.117 0.329 0.000 1.010 360 I CA -0.701 60.817 61.300 0.364 0.000 1.098 360 I CB 2.136 40.279 38.000 0.239 0.000 1.266 360 I HN -0.213 nan 8.210 nan 0.000 0.434 361 T N 4.690 119.270 114.554 0.043 0.000 2.767 361 T HA 0.196 4.546 4.350 0.000 0.000 0.288 361 T C -0.452 174.292 174.700 0.073 0.000 0.963 361 T CA -0.209 61.824 62.100 -0.112 0.000 1.019 361 T CB 0.361 68.949 68.868 -0.468 0.000 0.923 361 T HN 0.321 nan 8.240 nan 0.000 0.468 362 Y N 3.672 124.047 120.300 0.125 0.000 2.729 362 Y HA 0.139 4.689 4.550 0.000 0.000 0.331 362 Y C 0.204 176.147 175.900 0.072 0.000 1.208 362 Y CA 0.352 58.555 58.100 0.173 0.000 1.521 362 Y CB 0.077 38.718 38.460 0.302 0.000 1.233 362 Y HN 0.518 nan 8.280 nan 0.000 0.539 363 T N 7.285 121.439 114.554 -0.667 0.000 2.833 363 T HA 0.596 4.946 4.350 0.000 0.000 0.297 363 T C -0.239 173.971 174.700 -0.817 0.000 1.015 363 T CA -0.390 61.378 62.100 -0.553 0.000 0.963 363 T CB 0.655 69.334 68.868 -0.315 0.000 0.955 363 T HN 0.908 nan 8.240 nan 0.000 0.449 364 A N 5.624 128.029 122.820 -0.691 0.000 2.565 364 A HA 0.433 4.753 4.320 0.000 0.000 0.237 364 A C -2.069 175.249 177.584 -0.444 0.000 1.053 364 A CA -0.565 51.168 52.037 -0.506 0.000 0.755 364 A CB -0.440 18.321 19.000 -0.399 0.000 0.980 364 A HN 0.484 nan 8.150 nan 0.000 0.506 365 P HA 0.306 nan 4.420 nan 0.000 0.279 365 P C 0.259 177.445 177.300 -0.190 0.000 1.276 365 P CA -0.523 62.468 63.100 -0.182 0.000 0.801 365 P CB 0.621 32.296 31.700 -0.042 0.000 1.127 366 K N -0.734 119.613 120.400 -0.088 0.000 2.366 366 K HA 0.116 4.436 4.320 0.000 0.000 0.198 366 K C -0.088 176.575 176.600 0.105 0.000 1.044 366 K CA 0.731 57.002 56.287 -0.027 0.000 0.973 366 K CB 0.040 32.524 32.500 -0.027 0.000 0.767 366 K HN 0.176 nan 8.250 nan 0.000 0.475 367 V N 2.200 122.186 119.914 0.120 0.000 2.577 367 V HA 0.220 4.340 4.120 0.000 0.000 0.303 367 V C -2.605 173.602 176.094 0.188 0.000 1.042 367 V CA -2.550 59.840 62.300 0.149 0.000 0.872 367 V CB 1.720 33.584 31.823 0.068 0.000 0.998 367 V HN -0.087 nan 8.190 nan 0.000 0.423 368 P HA 0.072 nan 4.420 nan 0.000 0.264 368 P C 1.127 178.474 177.300 0.079 0.000 1.183 368 P CA 0.421 63.599 63.100 0.130 0.000 0.763 368 P CB 0.486 32.177 31.700 -0.015 0.000 0.807 369 T N 2.570 117.165 114.554 0.067 0.000 2.597 369 T HA -0.240 4.110 4.350 0.000 0.000 0.267 369 T C 1.609 176.332 174.700 0.038 0.000 1.053 369 T CA 1.482 63.622 62.100 0.066 0.000 1.165 369 T CB -0.701 68.149 68.868 -0.030 0.000 0.863 369 T HN 0.299 nan 8.240 nan 0.000 0.427 370 L N 0.291 121.485 121.223 -0.047 0.000 2.042 370 L HA -0.040 4.300 4.340 0.000 0.000 0.210 370 L C 2.293 179.147 176.870 -0.026 0.000 1.076 370 L CA 1.787 56.584 54.840 -0.070 0.000 0.749 370 L CB -0.702 41.285 42.059 -0.120 0.000 0.893 370 L HN 0.165 nan 8.230 nan 0.000 0.432 371 M N -0.914 118.680 119.600 -0.011 0.000 2.202 371 M HA -0.169 4.311 4.480 0.000 0.000 0.262 371 M C 2.219 178.523 176.300 0.007 0.000 1.063 371 M CA 2.202 57.500 55.300 -0.003 0.000 1.097 371 M CB -0.917 31.685 32.600 0.004 0.000 1.382 371 M HN 0.600 nan 8.290 nan 0.000 0.413 372 T N -2.692 111.880 114.554 0.031 0.000 2.851 372 T HA -0.060 4.290 4.350 0.000 0.000 0.262 372 T C 1.874 176.581 174.700 0.011 0.000 1.043 372 T CA 1.205 63.312 62.100 0.011 0.000 1.140 372 T CB -1.027 67.839 68.868 -0.003 0.000 0.872 372 T HN 0.249 nan 8.240 nan 0.000 0.446 373 V N 1.272 121.238 119.914 0.088 0.000 2.490 373 V HA 0.069 4.189 4.120 0.000 0.000 0.250 373 V C 2.266 178.363 176.094 0.006 0.000 1.061 373 V CA 1.598 63.939 62.300 0.069 0.000 1.064 373 V CB -0.789 31.085 31.823 0.084 0.000 0.670 373 V HN 0.611 nan 8.190 nan 0.000 0.461 374 L N 1.042 122.261 121.223 -0.006 0.000 2.610 374 L HA 0.120 4.460 4.340 0.000 0.000 0.232 374 L C 1.592 178.456 176.870 -0.011 0.000 1.149 374 L CA 1.031 55.862 54.840 -0.015 0.000 0.872 374 L CB -0.158 41.883 42.059 -0.031 0.000 0.992 374 L HN 0.674 nan 8.230 nan 0.000 0.447 375 S N -3.943 111.751 115.700 -0.010 0.000 2.993 375 S HA 0.045 4.516 4.470 0.000 0.000 0.257 375 S C 1.158 175.748 174.600 -0.018 0.000 0.997 375 S CA 0.055 58.248 58.200 -0.012 0.000 1.191 375 S CB 0.210 63.401 63.200 -0.014 0.000 1.143 375 S HN 0.248 nan 8.310 nan 0.000 0.655 376 S N 0.678 116.365 115.700 -0.023 0.000 2.535 376 S HA 0.563 5.033 4.470 0.000 0.000 0.214 376 S C 1.617 176.221 174.600 0.007 0.000 0.980 376 S CA 0.440 58.618 58.200 -0.037 0.000 0.907 376 S CB -0.362 62.778 63.200 -0.099 0.000 0.790 376 S HN 1.359 nan 8.310 nan 0.000 0.510 377 G N 3.031 111.855 108.800 0.039 0.000 2.602 377 G HA2 -0.370 3.590 3.960 0.000 0.000 0.310 377 G HA3 -0.370 3.590 3.960 0.000 0.000 0.310 377 G C 0.268 175.283 174.900 0.191 0.000 1.183 377 G CA 0.660 45.812 45.100 0.087 0.000 0.979 377 G HN 0.455 nan 8.290 nan 0.000 0.545 378 D N 0.993 121.497 120.400 0.173 0.000 2.349 378 D HA 0.069 4.710 4.640 0.000 0.000 0.224 378 D C 2.133 178.607 176.300 0.289 0.000 1.029 378 D CA 0.793 54.951 54.000 0.263 0.000 0.879 378 D CB 0.342 41.196 40.800 0.091 0.000 0.906 378 D HN 0.536 nan 8.370 nan 0.000 0.528 379 Q N -0.210 119.677 119.800 0.144 0.000 2.280 379 Q HA 0.223 4.563 4.340 0.000 0.000 0.201 379 Q C 1.544 177.530 176.000 -0.023 0.000 0.890 379 Q CA -0.204 55.634 55.803 0.058 0.000 0.947 379 Q CB 0.475 29.207 28.738 -0.010 0.000 1.081 379 Q HN 0.099 nan 8.270 nan 0.000 0.502 380 A N 0.479 123.273 122.820 -0.044 0.000 2.172 380 A HA -0.130 4.190 4.320 0.000 0.000 0.216 380 A C 1.641 179.129 177.584 -0.159 0.000 1.154 380 A CA 1.140 53.082 52.037 -0.158 0.000 0.701 380 A CB -0.209 18.638 19.000 -0.254 0.000 0.789 380 A HN 0.287 nan 8.150 nan 0.000 0.465 381 N N 0.191 118.796 118.700 -0.159 0.000 2.446 381 N HA -0.051 4.689 4.740 0.000 0.000 0.179 381 N C 0.159 175.712 175.510 0.073 0.000 1.054 381 N CA 0.195 53.224 53.050 -0.035 0.000 0.905 381 N CB -0.370 38.241 38.487 0.207 0.000 0.973 381 N HN 0.401 nan 8.380 nan 0.000 0.448 382 N N -0.206 118.525 118.700 0.052 0.000 2.406 382 N HA 0.031 4.771 4.740 0.000 0.000 0.251 382 N C 0.871 176.418 175.510 0.061 0.000 1.069 382 N CA 0.038 53.111 53.050 0.038 0.000 0.947 382 N CB 0.799 39.282 38.487 -0.006 0.000 1.111 382 N HN 0.124 nan 8.380 nan 0.000 0.497 383 S N 2.372 118.142 115.700 0.117 0.000 2.447 383 S HA -0.158 4.312 4.470 0.000 0.000 0.233 383 S C 1.446 176.120 174.600 0.123 0.000 1.006 383 S CA 0.807 59.130 58.200 0.204 0.000 0.957 383 S CB -0.303 62.964 63.200 0.112 0.000 0.773 383 S HN 0.757 nan 8.310 nan 0.000 0.507 384 E N 1.600 121.809 120.200 0.015 0.000 2.118 384 E HA -0.194 4.156 4.350 0.000 0.000 0.195 384 E C 1.989 178.543 176.600 -0.078 0.000 0.992 384 E CA 1.662 58.044 56.400 -0.030 0.000 0.804 384 E CB -0.436 29.241 29.700 -0.039 0.000 0.741 384 E HN 0.922 nan 8.360 nan 0.000 0.458 385 I N -2.184 118.274 120.570 -0.187 0.000 2.756 385 I HA -0.173 3.997 4.170 0.000 0.000 0.262 385 I C 1.292 177.205 176.117 -0.339 0.000 1.225 385 I CA 0.987 62.105 61.300 -0.305 0.000 1.472 385 I CB -0.357 37.379 38.000 -0.440 0.000 1.094 385 I HN 0.018 nan 8.210 nan 0.000 0.454 386 Y N 2.441 122.712 120.300 -0.049 0.000 2.511 386 Y HA 0.457 5.007 4.550 0.000 0.000 0.279 386 Y C 1.443 177.312 175.900 -0.051 0.000 1.157 386 Y CA 0.342 58.414 58.100 -0.047 0.000 1.300 386 Y CB 0.011 38.444 38.460 -0.045 0.000 1.052 386 Y HN 0.402 nan 8.280 nan 0.000 0.529 387 G N -0.268 108.558 108.800 0.044 0.000 2.587 387 G HA2 -0.143 3.817 3.960 0.000 0.000 0.686 387 G HA3 -0.143 3.817 3.960 0.000 0.000 0.686 387 G C 0.387 175.270 174.900 -0.029 0.000 1.236 387 G CA -0.258 44.836 45.100 -0.010 0.000 0.820 387 G HN 0.209 nan 8.290 nan 0.000 0.645 388 S N -0.984 114.681 115.700 -0.057 0.000 2.483 388 S HA 0.113 4.583 4.470 0.000 0.000 0.221 388 S C 1.164 175.709 174.600 -0.091 0.000 1.030 388 S CA 0.991 59.145 58.200 -0.077 0.000 0.925 388 S CB 0.312 63.470 63.200 -0.069 0.000 0.795 388 S HN 0.674 nan 8.310 nan 0.000 0.511 389 N N 0.384 119.031 118.700 -0.088 0.000 2.321 389 N HA 0.266 5.006 4.740 0.000 0.000 0.242 389 N C 0.588 176.027 175.510 -0.118 0.000 1.141 389 N CA 0.162 53.154 53.050 -0.097 0.000 0.864 389 N CB 0.528 38.944 38.487 -0.119 0.000 1.100 389 N HN 0.298 nan 8.380 nan 0.000 0.510 390 T N -1.893 112.627 114.554 -0.057 0.000 3.003 390 T HA 0.038 4.388 4.350 0.000 0.000 0.261 390 T C -0.096 174.765 174.700 0.270 0.000 1.003 390 T CA -0.037 62.060 62.100 -0.005 0.000 0.917 390 T CB -0.187 68.680 68.868 -0.001 0.000 1.084 390 T HN 0.426 nan 8.240 nan 0.000 0.522 391 H N 1.476 120.590 119.070 0.074 0.000 2.591 391 H HA -0.125 4.431 4.556 0.000 0.000 0.325 391 H C -0.925 174.372 175.328 -0.051 0.000 1.096 391 H CA 0.564 56.630 56.048 0.029 0.000 1.108 391 H CB -1.119 28.772 29.762 0.214 0.000 1.590 391 H HN 0.200 nan 8.280 nan 0.000 0.399 392 T N 2.413 116.945 114.554 -0.035 0.000 2.799 392 T HA 0.427 4.777 4.350 0.000 0.000 0.286 392 T C -0.112 174.408 174.700 -0.300 0.000 0.973 392 T CA -0.270 61.781 62.100 -0.081 0.000 1.035 392 T CB 0.611 69.439 68.868 -0.067 0.000 0.932 392 T HN 0.232 nan 8.240 nan 0.000 0.469 393 F N 1.920 121.883 119.950 0.022 0.000 2.522 393 F HA 0.602 5.130 4.527 0.000 0.000 0.324 393 F C 0.212 175.988 175.800 -0.041 0.000 1.077 393 F CA -1.139 56.869 58.000 0.012 0.000 0.944 393 F CB 1.336 40.309 39.000 -0.045 0.000 1.175 393 F HN 0.323 nan 8.300 nan 0.000 0.468 394 I N 4.046 124.744 120.570 0.215 0.000 2.354 394 I HA 0.334 4.504 4.170 0.000 0.000 0.292 394 I C -0.836 175.384 176.117 0.171 0.000 0.989 394 I CA -0.470 60.892 61.300 0.103 0.000 1.188 394 I CB 1.197 39.236 38.000 0.065 0.000 1.342 394 I HN 0.307 nan 8.210 nan 0.000 0.457 395 L N 5.859 127.140 121.223 0.098 0.000 2.309 395 L HA 0.475 4.815 4.340 0.000 0.000 0.282 395 L C 0.217 177.133 176.870 0.075 0.000 1.036 395 L CA -0.858 54.043 54.840 0.102 0.000 0.806 395 L CB 1.168 43.256 42.059 0.049 0.000 1.220 395 L HN 0.494 nan 8.230 nan 0.000 0.429 396 E N 1.521 121.762 120.200 0.069 0.000 2.318 396 E HA 0.080 4.430 4.350 0.000 0.000 0.265 396 E C 0.608 177.229 176.600 0.036 0.000 1.069 396 E CA -0.339 56.092 56.400 0.051 0.000 0.893 396 E CB 1.392 31.112 29.700 0.034 0.000 1.076 396 E HN 0.484 nan 8.360 nan 0.000 0.414 397 K N 0.880 121.311 120.400 0.053 0.000 2.081 397 K HA -0.243 4.077 4.320 0.000 0.000 0.222 397 K C 0.700 177.315 176.600 0.026 0.000 1.055 397 K CA 2.188 58.506 56.287 0.052 0.000 0.954 397 K CB -0.069 32.466 32.500 0.058 0.000 0.732 397 K HN 0.213 nan 8.250 nan 0.000 0.458 398 D N 0.241 120.638 120.400 -0.004 0.000 2.582 398 D HA 0.052 4.692 4.640 0.000 0.000 0.246 398 D C -0.786 175.458 176.300 -0.093 0.000 1.334 398 D CA -0.197 53.782 54.000 -0.035 0.000 0.805 398 D CB 0.185 40.972 40.800 -0.022 0.000 1.087 398 D HN 0.553 nan 8.370 nan 0.000 0.499 399 E N 0.206 120.348 120.200 -0.098 0.000 2.404 399 E HA 0.129 4.479 4.350 0.000 0.000 0.261 399 E C -0.064 176.375 176.600 -0.267 0.000 1.074 399 E CA -0.146 56.170 56.400 -0.140 0.000 0.917 399 E CB 1.226 30.871 29.700 -0.091 0.000 0.965 399 E HN 0.061 nan 8.360 nan 0.000 0.433 400 I N 2.706 123.107 120.570 -0.281 0.000 2.337 400 I HA 0.082 4.252 4.170 0.000 0.000 0.291 400 I C -0.599 175.265 176.117 -0.422 0.000 1.046 400 I CA -0.615 60.440 61.300 -0.408 0.000 1.324 400 I CB 1.076 38.896 38.000 -0.301 0.000 1.409 400 I HN 0.353 nan 8.210 nan 0.000 0.494 401 V N 6.555 126.051 119.914 -0.697 0.000 2.483 401 V HA 0.334 4.454 4.120 0.000 0.000 0.295 401 V C -0.039 175.683 176.094 -0.620 0.000 1.035 401 V CA -0.612 61.252 62.300 -0.726 0.000 0.896 401 V CB 1.736 32.924 31.823 -1.058 0.000 0.986 401 V HN 0.713 nan 8.190 nan 0.000 0.447 402 E N 4.514 124.462 120.200 -0.421 0.000 2.191 402 E HA 0.558 4.908 4.350 0.000 0.000 0.263 402 E C -1.366 175.017 176.600 -0.362 0.000 0.881 402 E CA -0.642 55.557 56.400 -0.335 0.000 0.757 402 E CB 1.456 30.992 29.700 -0.272 0.000 1.147 402 E HN 0.661 nan 8.360 nan 0.000 0.414 403 I N 4.448 124.805 120.570 -0.355 0.000 2.321 403 I HA 0.269 4.439 4.170 0.000 0.000 0.291 403 I C -0.592 175.309 176.117 -0.361 0.000 0.998 403 I CA -1.072 59.963 61.300 -0.441 0.000 1.227 403 I CB 1.590 39.214 38.000 -0.626 0.000 1.368 403 I HN 0.274 nan 8.210 nan 0.000 0.466 404 V N 7.664 127.370 119.914 -0.345 0.000 2.347 404 V HA 0.366 4.486 4.120 0.000 0.000 0.280 404 V C -0.197 175.712 176.094 -0.309 0.000 1.021 404 V CA -0.493 61.633 62.300 -0.290 0.000 0.847 404 V CB 1.703 33.443 31.823 -0.140 0.000 0.990 404 V HN 0.509 nan 8.190 nan 0.000 0.444 405 L N 5.729 126.679 121.223 -0.455 0.000 2.325 405 L HA 0.629 4.969 4.340 0.000 0.000 0.281 405 L C -0.454 176.216 176.870 -0.333 0.000 1.004 405 L CA -0.241 54.288 54.840 -0.519 0.000 0.823 405 L CB 1.347 42.774 42.059 -1.054 0.000 1.236 405 L HN 0.553 nan 8.230 nan 0.000 0.415 406 N N 3.538 122.158 118.700 -0.132 0.000 2.511 406 N HA 0.177 4.917 4.740 0.000 0.000 0.249 406 N C -0.930 174.586 175.510 0.011 0.000 0.971 406 N CA -0.493 52.544 53.050 -0.023 0.000 0.938 406 N CB 1.199 39.701 38.487 0.024 0.000 1.131 406 N HN 0.484 nan 8.380 nan 0.000 0.505 407 N N 1.312 120.045 118.700 0.055 0.000 2.416 407 N HA -0.017 4.723 4.740 0.000 0.000 0.265 407 N C 0.643 176.210 175.510 0.095 0.000 1.195 407 N CA 0.321 53.438 53.050 0.113 0.000 0.943 407 N CB 0.789 39.418 38.487 0.236 0.000 1.115 407 N HN 0.369 nan 8.380 nan 0.000 0.481 408 Q N 1.468 121.310 119.800 0.070 0.000 2.356 408 Q HA 0.143 4.483 4.340 0.000 0.000 0.205 408 Q C -0.708 175.338 176.000 0.077 0.000 0.901 408 Q CA 0.126 55.958 55.803 0.048 0.000 0.938 408 Q CB 0.229 28.985 28.738 0.030 0.000 1.081 408 Q HN 0.725 nan 8.270 nan 0.000 0.517 409 D N -2.093 118.383 120.400 0.126 0.000 2.229 409 D HA 0.082 4.722 4.640 0.000 0.000 0.249 409 D C 0.559 176.993 176.300 0.222 0.000 1.027 409 D CA -0.158 53.949 54.000 0.177 0.000 0.923 409 D CB 1.354 42.291 40.800 0.229 0.000 1.174 409 D HN 0.074 nan 8.370 nan 0.000 0.443 410 T N -0.333 114.337 114.554 0.194 0.000 3.219 410 T HA 0.343 4.693 4.350 0.000 0.000 0.249 410 T C 0.875 175.689 174.700 0.190 0.000 1.099 410 T CA -0.378 61.830 62.100 0.180 0.000 0.988 410 T CB -0.215 68.735 68.868 0.136 0.000 0.999 410 T HN 0.299 nan 8.240 nan 0.000 0.550 411 G N 0.241 109.177 108.800 0.226 0.000 2.552 411 G HA2 0.557 4.518 3.960 0.000 0.000 0.324 411 G HA3 0.557 4.518 3.960 0.000 0.000 0.324 411 G C -0.881 174.040 174.900 0.036 0.000 1.217 411 G CA -0.719 44.442 45.100 0.101 0.000 0.989 411 G HN 0.218 nan 8.290 nan 0.000 0.490 412 T N 1.074 115.592 114.554 -0.060 0.000 2.845 412 T HA 0.475 4.826 4.350 0.000 0.000 0.288 412 T C -0.727 173.870 174.700 -0.173 0.000 0.980 412 T CA -0.076 62.046 62.100 0.037 0.000 1.071 412 T CB 0.492 69.403 68.868 0.073 0.000 0.941 412 T HN 0.428 nan 8.240 nan 0.000 0.487 413 H N 3.280 122.526 119.070 0.294 0.000 2.689 413 H HA 0.303 4.859 4.556 0.000 0.000 0.346 413 H C -2.740 172.675 175.328 0.144 0.000 1.037 413 H CA -2.114 54.016 56.048 0.137 0.000 1.234 413 H CB 2.216 31.942 29.762 -0.061 0.000 1.572 413 H HN 0.333 nan 8.280 nan 0.000 0.524 414 P HA 0.208 nan 4.420 nan 0.000 0.288 414 P C -0.626 176.714 177.300 0.068 0.000 1.363 414 P CA -0.309 62.926 63.100 0.225 0.000 0.837 414 P CB -0.160 31.655 31.700 0.192 0.000 0.981 415 F N 2.821 122.974 119.950 0.339 0.000 2.385 415 F HA 0.382 4.909 4.527 0.000 0.000 0.336 415 F C 1.303 177.211 175.800 0.180 0.000 1.100 415 F CA 0.101 58.194 58.000 0.155 0.000 1.116 415 F CB 0.890 39.985 39.000 0.158 0.000 1.166 415 F HN 0.392 nan 8.300 nan 0.000 0.511 416 H N 3.160 122.257 119.070 0.044 0.000 2.637 416 H HA 0.626 5.182 4.556 0.000 0.000 0.363 416 H C -1.874 173.497 175.328 0.072 0.000 1.131 416 H CA -1.111 54.998 56.048 0.102 0.000 1.183 416 H CB 1.733 31.576 29.762 0.136 0.000 1.637 416 H HN 0.550 nan 8.280 nan 0.000 0.531 417 L N 5.488 126.563 121.223 -0.248 0.000 2.325 417 L HA 0.340 4.680 4.340 0.000 0.000 0.281 417 L C -0.826 175.792 176.870 -0.421 0.000 1.004 417 L CA -0.299 54.488 54.840 -0.088 0.000 0.823 417 L CB 0.776 43.008 42.059 0.289 0.000 1.236 417 L HN 0.782 nan 8.230 nan 0.000 0.415 418 H N 3.870 122.753 119.070 -0.312 0.000 2.690 418 H HA 0.268 4.824 4.556 0.000 0.000 0.365 418 H C 1.027 176.112 175.328 -0.406 0.000 1.142 418 H CA 0.862 56.819 56.048 -0.152 0.000 1.417 418 H CB 1.025 30.912 29.762 0.208 0.000 1.446 418 H HN 0.970 nan 8.280 nan 0.000 0.599 419 G N 1.604 110.061 108.800 -0.571 0.000 2.212 419 G HA2 -0.235 3.725 3.960 0.000 0.000 0.266 419 G HA3 -0.235 3.725 3.960 0.000 0.000 0.266 419 G C 0.121 174.352 174.900 -1.114 0.000 0.978 419 G CA 0.383 44.633 45.100 -1.418 0.000 0.632 419 G HN 0.783 nan 8.290 nan 0.000 0.537 420 H N -0.702 118.060 119.070 -0.513 0.000 3.012 420 H HA 0.640 5.196 4.556 0.000 0.000 0.367 420 H C -0.242 174.999 175.328 -0.145 0.000 1.211 420 H CA -0.065 55.630 56.048 -0.588 0.000 1.139 420 H CB 1.845 31.215 29.762 -0.653 0.000 1.838 420 H HN 0.620 nan 8.280 nan 0.000 0.550 421 A N 2.890 125.712 122.820 0.002 0.000 2.258 421 A HA 0.515 4.835 4.320 0.000 0.000 0.316 421 A C -0.409 177.133 177.584 -0.069 0.000 1.279 421 A CA -0.671 51.347 52.037 -0.033 0.000 0.876 421 A CB -0.516 18.581 19.000 0.162 0.000 1.170 421 A HN 0.479 nan 8.150 nan 0.000 0.520 422 F N 0.432 120.396 119.950 0.024 0.000 2.380 422 F HA 0.630 5.157 4.527 0.000 0.000 0.321 422 F C 0.362 176.182 175.800 0.033 0.000 1.103 422 F CA -1.052 56.969 58.000 0.035 0.000 1.067 422 F CB 0.825 39.809 39.000 -0.028 0.000 1.265 422 F HN 0.499 nan 8.300 nan 0.000 0.517 423 Q N 0.821 120.838 119.800 0.361 0.000 2.274 423 Q HA 0.285 4.625 4.340 0.000 0.000 0.256 423 Q C -0.871 175.219 176.000 0.150 0.000 0.927 423 Q CA -0.545 55.352 55.803 0.156 0.000 0.939 423 Q CB 1.606 30.361 28.738 0.028 0.000 1.201 423 Q HN 0.665 nan 8.270 nan 0.000 0.426 424 T N 3.643 118.231 114.554 0.056 0.000 2.747 424 T HA 0.223 4.573 4.350 0.000 0.000 0.301 424 T C 1.117 175.737 174.700 -0.134 0.000 0.952 424 T CA -0.195 61.897 62.100 -0.014 0.000 0.983 424 T CB -0.006 68.849 68.868 -0.022 0.000 0.930 424 T HN 0.589 nan 8.240 nan 0.000 0.494 425 I N 0.689 121.222 120.570 -0.062 0.000 3.526 425 I HA 0.385 4.555 4.170 0.000 0.000 0.294 425 I C 0.572 176.881 176.117 0.320 0.000 1.229 425 I CA -0.069 61.203 61.300 -0.046 0.000 1.408 425 I CB 0.441 38.212 38.000 -0.381 0.000 1.127 425 I HN 0.402 nan 8.210 nan 0.000 0.439 426 Q N 1.832 121.816 119.800 0.307 0.000 2.309 426 Q HA 0.459 4.799 4.340 0.000 0.000 0.273 426 Q C -1.317 174.858 176.000 0.292 0.000 1.040 426 Q CA -0.828 55.206 55.803 0.385 0.000 0.834 426 Q CB 2.162 31.115 28.738 0.358 0.000 1.345 426 Q HN 0.276 nan 8.270 nan 0.000 0.414 427 R N 3.599 124.142 120.500 0.072 0.000 2.625 427 R HA 0.193 4.533 4.340 0.000 0.000 0.286 427 R C -1.306 174.988 176.300 -0.010 0.000 1.406 427 R CA -0.352 55.806 56.100 0.097 0.000 1.052 427 R CB 1.033 31.383 30.300 0.083 0.000 1.203 427 R HN 0.819 nan 8.270 nan 0.000 0.502 428 D N 2.469 122.951 120.400 0.136 0.000 2.362 428 D HA 0.001 4.641 4.640 0.000 0.000 0.238 428 D C 0.311 176.666 176.300 0.091 0.000 1.212 428 D CA 0.124 54.204 54.000 0.134 0.000 0.902 428 D CB 0.876 41.855 40.800 0.299 0.000 1.180 428 D HN 0.497 nan 8.370 nan 0.000 0.445 429 R N -0.348 120.140 120.500 -0.019 0.000 2.822 429 R HA 0.241 4.581 4.340 0.000 0.000 0.277 429 R C -0.091 176.132 176.300 -0.128 0.000 1.102 429 R CA -0.451 55.589 56.100 -0.099 0.000 1.207 429 R CB -0.371 29.810 30.300 -0.199 0.000 1.139 429 R HN 0.154 nan 8.270 nan 0.000 0.557 430 T N 1.331 115.836 114.554 -0.082 0.000 2.888 430 T HA 0.041 4.391 4.350 0.000 0.000 0.301 430 T C -0.748 173.856 174.700 -0.160 0.000 1.001 430 T CA 0.269 62.364 62.100 -0.009 0.000 1.147 430 T CB -0.054 68.838 68.868 0.040 0.000 0.931 430 T HN 0.379 nan 8.240 nan 0.000 0.541 431 Y N 1.743 122.135 120.300 0.154 0.000 2.593 431 Y HA 0.230 4.780 4.550 0.000 0.000 0.331 431 Y C 0.558 176.534 175.900 0.128 0.000 0.986 431 Y CA -1.086 57.109 58.100 0.159 0.000 1.262 431 Y CB 0.604 39.194 38.460 0.217 0.000 1.098 431 Y HN 0.556 nan 8.280 nan 0.000 0.506 432 D N 3.207 123.731 120.400 0.205 0.000 2.338 432 D HA -0.051 4.589 4.640 0.000 0.000 0.255 432 D C 0.876 177.265 176.300 0.147 0.000 1.237 432 D CA 0.063 54.153 54.000 0.150 0.000 0.883 432 D CB 0.695 41.555 40.800 0.101 0.000 1.087 432 D HN 0.670 nan 8.370 nan 0.000 0.485 433 D N 3.021 123.501 120.400 0.134 0.000 2.269 433 D HA -0.128 4.512 4.640 0.000 0.000 0.208 433 D C 1.441 177.792 176.300 0.084 0.000 0.963 433 D CA 0.471 54.535 54.000 0.107 0.000 0.864 433 D CB -0.105 40.752 40.800 0.095 0.000 0.936 433 D HN 0.312 nan 8.370 nan 0.000 0.505 434 A N 0.661 123.530 122.820 0.081 0.000 2.015 434 A HA 0.011 4.331 4.320 0.000 0.000 0.219 434 A C 2.357 179.978 177.584 0.061 0.000 1.163 434 A CA 0.652 52.728 52.037 0.065 0.000 0.646 434 A CB -0.701 18.336 19.000 0.062 0.000 0.806 434 A HN 0.304 nan 8.150 nan 0.000 0.448 435 L N -1.451 119.815 121.223 0.072 0.000 2.591 435 L HA 0.220 4.560 4.340 0.000 0.000 0.228 435 L C 1.580 178.495 176.870 0.075 0.000 1.133 435 L CA 0.630 55.511 54.840 0.068 0.000 0.880 435 L CB 0.148 42.249 42.059 0.071 0.000 1.033 435 L HN 0.570 nan 8.230 nan 0.000 0.450 436 G N -0.205 108.643 108.800 0.079 0.000 2.141 436 G HA2 -0.223 3.737 3.960 0.000 0.000 0.231 436 G HA3 -0.223 3.737 3.960 0.000 0.000 0.231 436 G C 0.025 174.982 174.900 0.095 0.000 0.984 436 G CA -0.346 44.799 45.100 0.075 0.000 0.660 436 G HN 0.425 nan 8.290 nan 0.000 0.525 437 E N 0.201 120.481 120.200 0.133 0.000 2.331 437 E HA 0.501 4.851 4.350 0.000 0.000 0.272 437 E C 0.875 177.550 176.600 0.124 0.000 1.036 437 E CA -0.180 56.336 56.400 0.193 0.000 0.864 437 E CB 2.052 31.945 29.700 0.321 0.000 1.035 437 E HN 0.678 nan 8.360 nan 0.000 0.408 438 V N -0.358 119.574 119.914 0.029 0.000 3.096 438 V HA 0.516 4.637 4.120 0.000 0.000 0.319 438 V C -2.504 173.327 176.094 -0.438 0.000 1.082 438 V CA -2.808 59.394 62.300 -0.164 0.000 1.022 438 V CB 0.811 32.514 31.823 -0.200 0.000 1.103 438 V HN 0.478 nan 8.190 nan 0.000 0.455 439 P HA 0.369 nan 4.420 nan 0.000 0.271 439 P C -1.254 175.570 177.300 -0.793 0.000 1.218 439 P CA 0.383 63.236 63.100 -0.412 0.000 0.780 439 P CB 0.034 31.626 31.700 -0.179 0.000 0.901 440 H N -0.531 118.285 119.070 -0.425 0.000 2.658 440 H HA 0.389 4.945 4.556 0.000 0.000 0.337 440 H C -0.137 175.117 175.328 -0.123 0.000 1.009 440 H CA -0.451 55.375 56.048 -0.370 0.000 1.231 440 H CB 1.246 30.587 29.762 -0.702 0.000 1.508 440 H HN 0.245 nan 8.280 nan 0.000 0.517 441 S N 2.011 117.745 115.700 0.056 0.000 2.632 441 S HA 0.136 4.606 4.470 0.000 0.000 0.267 441 S C -0.284 174.418 174.600 0.170 0.000 1.276 441 S CA -0.723 57.536 58.200 0.100 0.000 0.998 441 S CB 0.551 63.789 63.200 0.063 0.000 0.953 441 S HN 0.459 nan 8.310 nan 0.000 0.547 442 F N 2.459 122.454 119.950 0.075 0.000 2.538 442 F HA 0.245 4.772 4.527 0.000 0.000 0.371 442 F C 0.150 176.016 175.800 0.111 0.000 1.087 442 F CA -0.520 57.546 58.000 0.110 0.000 1.250 442 F CB 0.329 39.384 39.000 0.092 0.000 1.110 442 F HN 0.375 nan 8.300 nan 0.000 0.570 443 D N 8.539 128.510 120.400 -0.716 0.000 2.440 443 D HA 0.333 4.973 4.640 0.000 0.000 0.239 443 D C -1.920 173.826 176.300 -0.923 0.000 1.084 443 D CA -2.588 51.048 54.000 -0.607 0.000 0.843 443 D CB 1.818 42.465 40.800 -0.255 0.000 1.097 443 D HN 0.241 nan 8.370 nan 0.000 0.531 444 P HA -0.075 nan 4.420 nan 0.000 0.222 444 P C 0.192 177.494 177.300 0.004 0.000 1.147 444 P CA 0.800 63.804 63.100 -0.159 0.000 0.790 444 P CB 0.621 32.381 31.700 0.100 0.000 0.780 445 D N -1.316 119.008 120.400 -0.127 0.000 2.305 445 D HA -0.002 4.638 4.640 0.000 0.000 0.206 445 D C 0.464 176.620 176.300 -0.240 0.000 0.974 445 D CA 0.921 54.840 54.000 -0.136 0.000 0.871 445 D CB -0.260 40.482 40.800 -0.097 0.000 0.947 445 D HN 0.119 nan 8.370 nan 0.000 0.516 446 N N 0.083 118.620 118.700 -0.272 0.000 2.581 446 N HA 0.218 4.958 4.740 0.000 0.000 0.279 446 N C -1.886 173.512 175.510 -0.186 0.000 1.124 446 N CA -0.543 52.351 53.050 -0.260 0.000 0.833 446 N CB 0.439 38.837 38.487 -0.148 0.000 1.338 446 N HN 0.040 nan 8.380 nan 0.000 0.533 447 H N 0.184 119.184 119.070 -0.116 0.000 3.064 447 H HA 0.633 5.189 4.556 0.000 0.000 0.352 447 H C -2.845 172.406 175.328 -0.128 0.000 1.260 447 H CA -1.564 54.444 56.048 -0.066 0.000 1.160 447 H CB -0.491 29.299 29.762 0.047 0.000 1.879 447 H HN 0.166 nan 8.280 nan 0.000 0.544 448 P HA 0.290 nan 4.420 nan 0.000 0.269 448 P C -0.305 176.977 177.300 -0.031 0.000 1.217 448 P CA -0.048 63.076 63.100 0.040 0.000 0.783 448 P CB 0.319 32.060 31.700 0.067 0.000 0.898 449 A N 2.268 125.058 122.820 -0.051 0.000 2.520 449 A HA 0.213 4.533 4.320 0.000 0.000 0.245 449 A C 0.043 177.594 177.584 -0.055 0.000 1.072 449 A CA -0.161 51.816 52.037 -0.100 0.000 0.761 449 A CB -0.876 18.120 19.000 -0.005 0.000 1.004 449 A HN 0.428 nan 8.150 nan 0.000 0.499 450 F N 3.186 123.226 119.950 0.149 0.000 2.490 450 F HA 0.296 4.823 4.527 0.000 0.000 0.336 450 F C -1.083 174.762 175.800 0.074 0.000 1.178 450 F CA -1.321 56.740 58.000 0.103 0.000 1.301 450 F CB 0.167 39.183 39.000 0.026 0.000 1.175 450 F HN 0.444 nan 8.300 nan 0.000 0.593 451 P HA 0.049 nan 4.420 nan 0.000 0.269 451 P C -0.219 177.084 177.300 0.005 0.000 1.215 451 P CA -0.078 63.087 63.100 0.109 0.000 0.780 451 P CB 0.860 32.566 31.700 0.010 0.000 0.898 452 E N 0.568 120.724 120.200 -0.075 0.000 2.107 452 E HA -0.116 4.234 4.350 0.000 0.000 0.191 452 E C -0.112 176.115 176.600 -0.621 0.000 0.982 452 E CA 1.243 57.435 56.400 -0.347 0.000 0.809 452 E CB -0.144 29.310 29.700 -0.410 0.000 0.756 452 E HN 0.531 nan 8.360 nan 0.000 0.459 453 Y N 0.395 120.676 120.300 -0.031 0.000 2.787 453 Y HA 0.281 4.831 4.550 0.000 0.000 0.352 453 Y C -2.344 173.495 175.900 -0.102 0.000 1.027 453 Y CA -2.642 55.417 58.100 -0.068 0.000 1.219 453 Y CB 0.902 39.333 38.460 -0.049 0.000 1.110 453 Y HN -0.025 nan 8.280 nan 0.000 0.614 454 P HA 0.002 nan 4.420 nan 0.000 0.272 454 P C 0.307 177.522 177.300 -0.141 0.000 1.230 454 P CA -0.422 62.583 63.100 -0.158 0.000 0.788 454 P CB 0.751 32.344 31.700 -0.177 0.000 0.949 455 M N 2.415 121.873 119.600 -0.236 0.000 2.250 455 M HA 0.096 4.576 4.480 0.000 0.000 0.325 455 M C -0.374 175.859 176.300 -0.112 0.000 1.084 455 M CA 0.799 55.998 55.300 -0.169 0.000 1.161 455 M CB -0.124 32.335 32.600 -0.235 0.000 1.481 455 M HN 0.335 nan 8.290 nan 0.000 0.449 456 R N 2.713 123.163 120.500 -0.084 0.000 2.628 456 R HA 0.644 4.984 4.340 0.000 0.000 0.288 456 R C -1.069 175.138 176.300 -0.156 0.000 0.980 456 R CA -0.607 55.442 56.100 -0.085 0.000 0.891 456 R CB 2.131 32.413 30.300 -0.030 0.000 1.188 456 R HN 0.886 nan 8.270 nan 0.000 0.450 457 R N 0.316 120.622 120.500 -0.323 0.000 2.764 457 R HA 0.293 4.633 4.340 0.000 0.000 0.276 457 R C -1.050 174.823 176.300 -0.712 0.000 1.021 457 R CA -0.873 55.002 56.100 -0.374 0.000 0.870 457 R CB 0.620 30.761 30.300 -0.265 0.000 1.293 457 R HN 0.417 nan 8.270 nan 0.000 0.469 458 D N 0.006 120.183 120.400 -0.370 0.000 2.366 458 D HA 0.090 4.730 4.640 0.000 0.000 0.205 458 D C -0.307 176.050 176.300 0.094 0.000 1.022 458 D CA 0.632 54.504 54.000 -0.214 0.000 0.868 458 D CB 0.821 41.731 40.800 0.183 0.000 0.953 458 D HN 0.504 nan 8.370 nan 0.000 0.514 459 T N 1.183 115.796 114.554 0.100 0.000 2.928 459 T HA 0.533 4.883 4.350 0.000 0.000 0.296 459 T C -0.973 173.881 174.700 0.257 0.000 1.000 459 T CA -0.601 61.680 62.100 0.301 0.000 0.989 459 T CB 2.414 71.413 68.868 0.219 0.000 1.005 459 T HN -0.079 nan 8.240 nan 0.000 0.442 460 L N 3.642 125.070 121.223 0.341 0.000 2.455 460 L HA 0.665 5.005 4.340 0.000 0.000 0.264 460 L C -1.431 175.582 176.870 0.238 0.000 0.968 460 L CA -0.893 54.050 54.840 0.170 0.000 0.827 460 L CB 1.522 43.587 42.059 0.011 0.000 1.317 460 L HN 0.751 nan 8.230 nan 0.000 0.407 461 Y N 3.293 123.751 120.300 0.263 0.000 2.310 461 Y HA 0.757 5.307 4.550 0.000 0.000 0.326 461 Y C -0.438 175.756 175.900 0.490 0.000 1.151 461 Y CA -1.365 56.959 58.100 0.374 0.000 1.195 461 Y CB 0.563 39.217 38.460 0.323 0.000 1.210 461 Y HN 0.304 nan 8.280 nan 0.000 0.483 462 V N 3.608 124.035 119.914 0.854 0.000 2.607 462 V HA 0.429 4.549 4.120 0.000 0.000 0.289 462 V C 0.426 176.900 176.094 0.633 0.000 1.053 462 V CA -1.280 61.476 62.300 0.760 0.000 0.996 462 V CB 0.713 32.950 31.823 0.690 0.000 0.995 462 V HN 0.841 nan 8.190 nan 0.000 0.476 463 R N 2.806 123.609 120.500 0.506 0.000 2.615 463 R HA 0.294 4.635 4.340 0.000 0.000 0.270 463 R C -2.472 174.046 176.300 0.363 0.000 1.081 463 R CA -1.635 54.704 56.100 0.398 0.000 1.154 463 R CB 0.145 30.628 30.300 0.305 0.000 1.063 463 R HN 0.450 nan 8.270 nan 0.000 0.519 464 P HA -0.137 nan 4.420 nan 0.000 0.260 464 P C -0.604 176.886 177.300 0.317 0.000 1.172 464 P CA 0.882 64.148 63.100 0.276 0.000 0.760 464 P CB 0.311 32.138 31.700 0.212 0.000 0.773 465 Q N -1.207 118.767 119.800 0.290 0.000 2.461 465 Q HA -0.242 4.098 4.340 0.000 0.000 0.264 465 Q C 0.400 176.578 176.000 0.298 0.000 1.085 465 Q CA 0.905 56.852 55.803 0.239 0.000 1.006 465 Q CB -1.478 27.377 28.738 0.195 0.000 1.437 465 Q HN 0.471 nan 8.270 nan 0.000 0.514 466 S N -0.342 115.581 115.700 0.372 0.000 2.694 466 S HA 0.659 5.129 4.470 0.000 0.000 0.286 466 S C -0.384 174.390 174.600 0.290 0.000 1.080 466 S CA -0.019 58.452 58.200 0.451 0.000 0.953 466 S CB 1.016 64.502 63.200 0.476 0.000 1.313 466 S HN 0.530 nan 8.310 nan 0.000 0.555 467 N N -0.708 118.169 118.700 0.295 0.000 2.610 467 N HA 0.605 5.345 4.740 0.000 0.000 0.264 467 N C -1.206 174.442 175.510 0.230 0.000 1.348 467 N CA -0.859 52.296 53.050 0.175 0.000 0.819 467 N CB 0.995 39.603 38.487 0.201 0.000 1.521 467 N HN 0.592 nan 8.380 nan 0.000 0.497 468 F N -2.193 117.818 119.950 0.102 0.000 2.662 468 F HA 0.889 5.416 4.527 0.000 0.000 0.312 468 F C -1.905 173.819 175.800 -0.127 0.000 1.113 468 F CA -1.243 56.772 58.000 0.026 0.000 0.951 468 F CB 1.486 40.521 39.000 0.059 0.000 1.344 468 F HN 0.285 nan 8.300 nan 0.000 0.462 469 V N 3.554 123.577 119.914 0.182 0.000 2.577 469 V HA 0.549 4.669 4.120 0.000 0.000 0.303 469 V C -0.306 175.723 176.094 -0.109 0.000 1.042 469 V CA -0.690 61.521 62.300 -0.148 0.000 0.872 469 V CB 1.705 33.151 31.823 -0.627 0.000 0.998 469 V HN 0.845 nan 8.190 nan 0.000 0.423 470 I N 2.089 122.567 120.570 -0.154 0.000 2.646 470 I HA 0.817 4.987 4.170 0.000 0.000 0.299 470 I C -0.605 175.423 176.117 -0.148 0.000 1.036 470 I CA -0.928 60.247 61.300 -0.209 0.000 1.074 470 I CB 2.395 40.054 38.000 -0.569 0.000 1.258 470 I HN 0.468 nan 8.210 nan 0.000 0.430 471 R N 4.029 124.526 120.500 -0.005 0.000 2.744 471 R HA 0.781 5.121 4.340 0.000 0.000 0.279 471 R C -1.639 174.838 176.300 0.296 0.000 0.977 471 R CA -0.643 55.481 56.100 0.040 0.000 0.906 471 R CB 2.656 32.960 30.300 0.007 0.000 1.197 471 R HN 0.781 nan 8.270 nan 0.000 0.463 472 F N -1.344 118.538 119.950 -0.113 0.000 2.693 472 F HA 0.505 5.032 4.527 0.000 0.000 0.309 472 F C -1.399 174.098 175.800 -0.506 0.000 1.129 472 F CA -1.298 56.582 58.000 -0.200 0.000 0.948 472 F CB 1.461 40.307 39.000 -0.257 0.000 1.315 472 F HN 0.168 nan 8.300 nan 0.000 0.447 473 K N 1.784 121.851 120.400 -0.556 0.000 2.201 473 K HA 0.728 5.048 4.320 0.000 0.000 0.278 473 K C -0.357 176.117 176.600 -0.210 0.000 1.027 473 K CA -0.656 55.300 56.287 -0.550 0.000 0.909 473 K CB 1.613 33.802 32.500 -0.519 0.000 1.062 473 K HN 0.939 nan 8.250 nan 0.000 0.465 474 A N 4.496 127.171 122.820 -0.242 0.000 2.981 474 A HA 0.073 4.393 4.320 0.000 0.000 0.280 474 A C -0.467 177.167 177.584 0.083 0.000 1.743 474 A CA -0.207 51.840 52.037 0.016 0.000 1.430 474 A CB -0.559 18.418 19.000 -0.038 0.000 1.085 474 A HN 0.799 nan 8.150 nan 0.000 0.597 475 D N -0.440 120.051 120.400 0.152 0.000 2.501 475 D HA 0.077 4.717 4.640 0.000 0.000 0.224 475 D C -0.107 176.210 176.300 0.028 0.000 1.202 475 D CA -0.193 53.844 54.000 0.062 0.000 0.829 475 D CB 0.015 40.826 40.800 0.018 0.000 1.023 475 D HN 0.231 nan 8.370 nan 0.000 0.499 476 N N 1.599 120.357 118.700 0.097 0.000 2.762 476 N HA 0.212 4.952 4.740 0.000 0.000 0.252 476 N C -2.870 172.829 175.510 0.314 0.000 1.269 476 N CA -1.837 51.242 53.050 0.048 0.000 0.799 476 N CB 1.318 39.614 38.487 -0.319 0.000 1.173 476 N HN -0.164 nan 8.380 nan 0.000 0.516 477 P HA 0.196 nan 4.420 nan 0.000 0.260 477 P C 0.245 177.611 177.300 0.111 0.000 1.172 477 P CA 0.639 63.826 63.100 0.145 0.000 0.760 477 P CB 0.543 32.287 31.700 0.074 0.000 0.773 478 G N 1.193 109.909 108.800 -0.140 0.000 2.320 478 G HA2 0.345 4.305 3.960 0.000 0.000 0.296 478 G HA3 0.345 4.305 3.960 0.000 0.000 0.296 478 G C -1.951 172.271 174.900 -1.129 0.000 1.306 478 G CA -0.569 44.056 45.100 -0.792 0.000 0.836 478 G HN 0.302 nan 8.290 nan 0.000 0.517 479 V N 0.509 119.591 119.914 -1.387 0.000 2.350 479 V HA 0.625 4.745 4.120 0.000 0.000 0.285 479 V C -1.154 174.466 176.094 -0.790 0.000 1.014 479 V CA -0.270 61.521 62.300 -0.848 0.000 0.831 479 V CB 0.796 32.327 31.823 -0.488 0.000 1.000 479 V HN 0.610 nan 8.190 nan 0.000 0.433 480 W N 4.357 125.653 121.300 -0.006 0.000 2.656 480 W HA 0.596 5.256 4.660 0.000 0.000 0.327 480 W C -0.481 176.094 176.519 0.093 0.000 1.041 480 W CA -0.887 56.480 57.345 0.037 0.000 1.229 480 W CB 1.491 31.022 29.460 0.117 0.000 1.397 480 W HN 0.361 nan 8.180 nan 0.000 0.479 481 F N 4.147 124.082 119.950 -0.026 0.000 2.427 481 F HA 0.331 4.858 4.527 0.000 0.000 0.352 481 F C -0.666 175.307 175.800 0.289 0.000 1.100 481 F CA -1.939 56.047 58.000 -0.023 0.000 1.191 481 F CB 0.140 38.910 39.000 -0.384 0.000 1.128 481 F HN 0.191 nan 8.300 nan 0.000 0.533 482 F N 7.505 127.582 119.950 0.211 0.000 2.403 482 F HA 0.462 4.990 4.527 0.000 0.000 0.355 482 F C -1.085 174.759 175.800 0.073 0.000 1.119 482 F CA -0.338 57.690 58.000 0.047 0.000 1.007 482 F CB 0.252 39.240 39.000 -0.019 0.000 1.194 482 F HN 0.662 nan 8.300 nan 0.000 0.443 483 H N 2.168 120.988 119.070 -0.417 0.000 3.017 483 H HA 0.407 4.963 4.556 0.000 0.000 0.346 483 H C -1.428 173.917 175.328 0.029 0.000 1.286 483 H CA -1.467 54.467 56.048 -0.190 0.000 1.120 483 H CB 0.623 29.986 29.762 -0.664 0.000 1.860 483 H HN 0.664 nan 8.280 nan 0.000 0.542 484 C N 1.948 121.327 119.300 0.132 0.000 2.637 484 C HA 0.093 4.553 4.460 0.000 0.000 0.418 484 C C 1.409 176.524 174.990 0.209 0.000 1.319 484 C CA -0.044 58.874 59.018 -0.166 0.000 1.949 484 C CB -0.811 26.773 27.740 -0.259 0.000 2.639 484 C HN 1.005 nan 8.230 nan 0.000 0.594 485 H N 3.730 122.867 119.070 0.112 0.000 2.539 485 H HA 0.257 4.813 4.556 0.000 0.000 0.267 485 H C 0.520 175.931 175.328 0.138 0.000 0.982 485 H CA 0.398 56.579 56.048 0.221 0.000 1.146 485 H CB 0.124 30.005 29.762 0.199 0.000 1.382 485 H HN 0.637 nan 8.280 nan 0.000 0.577 486 I N 2.253 122.932 120.570 0.182 0.000 2.494 486 I HA -0.091 4.079 4.170 0.000 0.000 0.289 486 I C 1.495 177.559 176.117 -0.088 0.000 1.106 486 I CA -0.042 61.301 61.300 0.071 0.000 1.369 486 I CB 0.925 38.927 38.000 0.003 0.000 1.410 486 I HN 0.076 nan 8.210 nan 0.000 0.523 487 E N 4.907 124.933 120.200 -0.290 0.000 2.130 487 E HA -0.234 4.116 4.350 0.000 0.000 0.196 487 E C 1.772 178.086 176.600 -0.476 0.000 0.998 487 E CA 1.865 57.970 56.400 -0.493 0.000 0.806 487 E CB -0.046 29.156 29.700 -0.831 0.000 0.738 487 E HN 0.719 nan 8.360 nan 0.000 0.459 488 W N 0.207 121.314 121.300 -0.322 0.000 2.358 488 W HA -0.147 4.513 4.660 0.000 0.000 0.303 488 W C 2.355 178.909 176.519 0.059 0.000 1.208 488 W CA 1.093 58.188 57.345 -0.416 0.000 1.274 488 W CB -0.723 28.186 29.460 -0.918 0.000 1.138 488 W HN 0.324 nan 8.180 nan 0.000 0.515 489 H N -0.648 118.572 119.070 0.250 0.000 2.428 489 H HA -0.109 4.447 4.556 0.000 0.000 0.296 489 H C 2.086 177.511 175.328 0.162 0.000 1.062 489 H CA 0.971 57.162 56.048 0.238 0.000 1.350 489 H CB -0.202 29.692 29.762 0.219 0.000 1.403 489 H HN 0.031 nan 8.280 nan 0.000 0.533 490 L N 0.884 122.230 121.223 0.205 0.000 2.093 490 L HA -0.109 4.231 4.340 0.000 0.000 0.208 490 L C 1.877 178.853 176.870 0.177 0.000 1.085 490 L CA 1.276 56.191 54.840 0.125 0.000 0.755 490 L CB -0.487 41.563 42.059 -0.016 0.000 0.904 490 L HN 0.228 nan 8.230 nan 0.000 0.435 491 L N -0.860 120.474 121.223 0.185 0.000 2.083 491 L HA -0.215 4.125 4.340 0.000 0.000 0.209 491 L C 2.473 179.520 176.870 0.296 0.000 1.083 491 L CA 1.264 56.250 54.840 0.243 0.000 0.752 491 L CB -0.380 41.851 42.059 0.287 0.000 0.899 491 L HN 0.387 nan 8.230 nan 0.000 0.433 492 Q N -0.447 119.550 119.800 0.328 0.000 2.488 492 Q HA 0.007 4.347 4.340 0.000 0.000 0.211 492 Q C 1.141 177.283 176.000 0.236 0.000 0.967 492 Q CA 0.603 56.559 55.803 0.255 0.000 0.926 492 Q CB 0.241 29.124 28.738 0.242 0.000 0.992 492 Q HN 0.607 nan 8.270 nan 0.000 0.506 493 G N 0.981 109.925 108.800 0.240 0.000 2.142 493 G HA2 -0.246 3.714 3.960 0.000 0.000 0.225 493 G HA3 -0.246 3.714 3.960 0.000 0.000 0.225 493 G C -0.111 174.910 174.900 0.202 0.000 1.015 493 G CA -0.378 44.873 45.100 0.252 0.000 0.716 493 G HN 0.358 nan 8.290 nan 0.000 0.508 494 L N 1.215 122.516 121.223 0.130 0.000 2.391 494 L HA 0.523 4.863 4.340 0.000 0.000 0.249 494 L C 0.919 177.880 176.870 0.150 0.000 1.308 494 L CA 0.622 55.450 54.840 -0.021 0.000 1.209 494 L CB -0.454 41.567 42.059 -0.063 0.000 1.401 494 L HN 0.410 nan 8.230 nan 0.000 0.416 495 G N 2.800 111.848 108.800 0.413 0.000 2.720 495 G HA2 0.582 4.542 3.960 0.000 0.000 0.295 495 G HA3 0.582 4.542 3.960 0.000 0.000 0.295 495 G C -1.745 173.570 174.900 0.692 0.000 1.437 495 G CA -0.584 44.810 45.100 0.490 0.000 0.886 495 G HN 0.253 nan 8.290 nan 0.000 0.509 496 L N -1.322 120.215 121.223 0.523 0.000 2.415 496 L HA 0.933 5.273 4.340 0.000 0.000 0.256 496 L C -0.856 176.290 176.870 0.460 0.000 1.010 496 L CA -1.383 53.701 54.840 0.408 0.000 0.826 496 L CB 1.832 43.871 42.059 -0.033 0.000 1.405 496 L HN 0.376 nan 8.230 nan 0.000 0.410 497 V N 2.414 122.548 119.914 0.367 0.000 2.417 497 V HA 0.529 4.649 4.120 0.000 0.000 0.291 497 V C -0.173 176.032 176.094 0.185 0.000 1.024 497 V CA -0.402 62.049 62.300 0.252 0.000 0.861 497 V CB 1.477 33.384 31.823 0.140 0.000 0.985 497 V HN 0.632 nan 8.190 nan 0.000 0.436 498 L N 5.251 126.575 121.223 0.168 0.000 2.287 498 L HA 0.575 4.915 4.340 0.000 0.000 0.287 498 L C -0.572 176.294 176.870 -0.006 0.000 1.022 498 L CA -0.738 54.184 54.840 0.137 0.000 0.814 498 L CB 1.868 44.065 42.059 0.231 0.000 1.217 498 L HN 0.352 nan 8.230 nan 0.000 0.420 499 V N 3.186 123.043 119.914 -0.095 0.000 2.318 499 V HA 0.207 4.327 4.120 0.000 0.000 0.271 499 V C 0.204 176.243 176.094 -0.091 0.000 1.030 499 V CA -0.565 61.604 62.300 -0.218 0.000 0.844 499 V CB 1.167 32.730 31.823 -0.433 0.000 1.015 499 V HN 0.707 nan 8.190 nan 0.000 0.460 500 E N 4.154 124.328 120.200 -0.044 0.000 2.229 500 E HA 0.138 4.488 4.350 0.000 0.000 0.283 500 E C -0.093 176.514 176.600 0.012 0.000 1.030 500 E CA -0.488 55.958 56.400 0.075 0.000 0.836 500 E CB 0.646 30.513 29.700 0.278 0.000 1.068 500 E HN 0.911 nan 8.360 nan 0.000 0.401 501 D N 5.675 126.091 120.400 0.027 0.000 8.267 501 D HA -0.176 4.464 4.640 0.000 0.000 0.138 501 D C -1.642 174.625 176.300 -0.054 0.000 1.262 501 D CA -0.355 53.650 54.000 0.009 0.000 0.885 501 D CB 0.021 40.868 40.800 0.078 0.000 1.723 501 D HN 0.269 nan 8.370 nan 0.000 0.984 502 P HA -0.205 nan 4.420 nan 0.000 0.218 502 P C 1.506 178.685 177.300 -0.202 0.000 1.146 502 P CA 1.054 64.009 63.100 -0.241 0.000 0.813 502 P CB -0.158 31.339 31.700 -0.338 0.000 0.778 503 F N 0.230 120.198 119.950 0.030 0.000 2.206 503 F HA 0.037 4.564 4.527 0.000 0.000 0.298 503 F C 2.780 178.591 175.800 0.019 0.000 1.090 503 F CA 0.878 58.892 58.000 0.023 0.000 1.323 503 F CB -1.323 37.692 39.000 0.024 0.000 1.028 503 F HN -0.042 nan 8.300 nan 0.000 0.492 504 G N 0.789 109.692 108.800 0.173 0.000 2.422 504 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 504 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 504 G C 1.672 176.614 174.900 0.070 0.000 1.146 504 G CA 0.944 46.109 45.100 0.109 0.000 0.769 504 G HN 0.324 nan 8.290 nan 0.000 0.547 505 I N 0.115 120.704 120.570 0.032 0.000 2.142 505 I HA -0.236 3.934 4.170 0.000 0.000 0.240 505 I C 3.029 179.154 176.117 0.013 0.000 1.078 505 I CA 1.360 62.657 61.300 -0.005 0.000 1.343 505 I CB -0.325 37.635 38.000 -0.066 0.000 1.046 505 I HN 0.221 nan 8.210 nan 0.000 0.405 506 Q N 0.355 120.179 119.800 0.040 0.000 2.124 506 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 506 Q C 1.742 177.775 176.000 0.054 0.000 0.977 506 Q CA 1.451 57.284 55.803 0.051 0.000 0.850 506 Q CB -0.056 28.745 28.738 0.106 0.000 0.901 506 Q HN 0.486 nan 8.270 nan 0.000 0.429 507 D N 0.550 120.998 120.400 0.079 0.000 2.183 507 D HA -0.013 4.627 4.640 0.000 0.000 0.203 507 D C 0.210 176.551 176.300 0.068 0.000 0.969 507 D CA 0.564 54.608 54.000 0.072 0.000 0.842 507 D CB -0.056 40.793 40.800 0.081 0.000 0.957 507 D HN 0.157 nan 8.370 nan 0.000 0.484 508 A N 0.996 123.856 122.820 0.066 0.000 2.409 508 A HA 0.026 4.346 4.320 0.000 0.000 0.267 508 A C 1.184 178.820 177.584 0.086 0.000 1.127 508 A CA -0.195 51.891 52.037 0.082 0.000 0.795 508 A CB 0.335 19.379 19.000 0.074 0.000 1.061 508 A HN 0.192 nan 8.150 nan 0.000 0.502 509 H N 3.072 122.156 119.070 0.024 0.000 2.326 509 H HA -0.133 4.423 4.556 0.000 0.000 0.301 509 H C 2.147 177.482 175.328 0.012 0.000 1.081 509 H CA 2.400 58.458 56.048 0.017 0.000 1.334 509 H CB -0.070 29.703 29.762 0.017 0.000 1.385 509 H HN 0.784 nan 8.280 nan 0.000 0.504 510 S N -0.052 115.791 115.700 0.238 0.000 2.528 510 S HA -0.141 4.329 4.470 0.000 0.000 0.244 510 S C 1.932 176.573 174.600 0.069 0.000 0.982 510 S CA 1.276 59.573 58.200 0.162 0.000 0.953 510 S CB -0.089 63.184 63.200 0.122 0.000 0.754 510 S HN 0.289 nan 8.310 nan 0.000 0.529 511 Q N 0.674 120.492 119.800 0.029 0.000 2.402 511 Q HA 0.244 4.584 4.340 0.000 0.000 0.206 511 Q C 0.313 176.273 176.000 -0.066 0.000 0.919 511 Q CA 0.376 56.167 55.803 -0.019 0.000 0.923 511 Q CB -0.022 28.707 28.738 -0.016 0.000 1.048 511 Q HN 0.506 nan 8.270 nan 0.000 0.515 512 Q N 0.611 120.355 119.800 -0.092 0.000 2.361 512 Q HA 0.058 4.398 4.340 0.000 0.000 0.276 512 Q C -0.348 175.585 176.000 -0.112 0.000 1.022 512 Q CA 0.249 55.978 55.803 -0.123 0.000 0.898 512 Q CB 0.297 28.911 28.738 -0.207 0.000 1.246 512 Q HN 0.317 nan 8.270 nan 0.000 0.410 513 L N 1.800 122.960 121.223 -0.105 0.000 2.455 513 L HA 0.072 4.412 4.340 0.000 0.000 0.272 513 L C 0.931 177.754 176.870 -0.077 0.000 1.174 513 L CA -0.217 54.553 54.840 -0.117 0.000 0.869 513 L CB 0.207 42.225 42.059 -0.069 0.000 1.130 513 L HN 0.638 nan 8.230 nan 0.000 0.474 514 S N 1.584 117.231 115.700 -0.088 0.000 2.614 514 S HA 0.152 4.622 4.470 0.000 0.000 0.265 514 S C 0.934 175.566 174.600 0.053 0.000 1.303 514 S CA -0.869 57.331 58.200 -0.000 0.000 1.000 514 S CB 1.168 64.388 63.200 0.033 0.000 0.935 514 S HN 0.609 nan 8.310 nan 0.000 0.551 515 E N 1.580 121.812 120.200 0.052 0.000 2.070 515 E HA -0.255 4.096 4.350 0.000 0.000 0.197 515 E C 1.822 178.461 176.600 0.066 0.000 1.004 515 E CA 1.188 57.618 56.400 0.049 0.000 0.805 515 E CB -0.724 29.000 29.700 0.041 0.000 0.744 515 E HN 0.785 nan 8.360 nan 0.000 0.451 516 N N 1.062 119.817 118.700 0.092 0.000 2.061 516 N HA -0.218 4.522 4.740 0.000 0.000 0.193 516 N C 1.794 177.329 175.510 0.042 0.000 1.030 516 N CA 1.394 54.489 53.050 0.075 0.000 0.856 516 N CB -0.237 38.314 38.487 0.106 0.000 1.023 516 N HN 0.406 nan 8.380 nan 0.000 0.424 517 H N -0.170 118.880 119.070 -0.033 0.000 2.326 517 H HA -0.071 4.485 4.556 0.000 0.000 0.301 517 H C 1.968 177.271 175.328 -0.041 0.000 1.081 517 H CA 0.811 56.828 56.048 -0.051 0.000 1.334 517 H CB 0.153 29.884 29.762 -0.052 0.000 1.385 517 H HN 0.171 nan 8.280 nan 0.000 0.504 518 L N 1.171 122.450 121.223 0.094 0.000 2.042 518 L HA -0.182 4.158 4.340 0.000 0.000 0.210 518 L C 2.580 179.460 176.870 0.016 0.000 1.076 518 L CA 1.532 56.396 54.840 0.039 0.000 0.749 518 L CB -1.186 40.890 42.059 0.029 0.000 0.893 518 L HN 0.322 nan 8.230 nan 0.000 0.432 519 E N -0.122 120.086 120.200 0.014 0.000 2.085 519 E HA -0.170 4.180 4.350 0.000 0.000 0.194 519 E C 2.160 178.751 176.600 -0.016 0.000 0.994 519 E CA 1.484 57.885 56.400 0.000 0.000 0.801 519 E CB -0.235 29.466 29.700 0.003 0.000 0.743 519 E HN 0.226 nan 8.360 nan 0.000 0.453 520 V N -0.114 119.775 119.914 -0.042 0.000 2.343 520 V HA -0.318 3.802 4.120 0.000 0.000 0.247 520 V C 2.629 178.697 176.094 -0.044 0.000 1.051 520 V CA 1.718 63.980 62.300 -0.063 0.000 1.036 520 V CB -0.609 31.133 31.823 -0.135 0.000 0.654 520 V HN 0.496 nan 8.190 nan 0.000 0.451 521 c N -0.594 117.984 118.600 -0.036 0.000 2.436 521 c HA -0.200 4.370 4.570 0.000 0.000 0.277 521 c C 2.917 177.004 174.090 -0.006 0.000 1.241 521 c CA 1.277 57.591 56.329 -0.026 0.000 1.721 521 c CB -0.972 41.528 42.510 -0.017 0.000 2.043 521 c HN 0.596 nan 8.230 nan 0.000 0.472 522 Q N -0.389 119.411 119.800 -0.000 0.000 2.096 522 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 522 Q C 2.380 178.385 176.000 0.009 0.000 0.982 522 Q CA 1.817 57.624 55.803 0.007 0.000 0.850 522 Q CB -0.338 28.404 28.738 0.007 0.000 0.901 522 Q HN 0.626 nan 8.270 nan 0.000 0.422 523 S N -0.799 114.903 115.700 0.004 0.000 2.481 523 S HA -0.104 4.366 4.470 0.000 0.000 0.231 523 S C 1.631 176.240 174.600 0.015 0.000 0.996 523 S CA 0.527 58.732 58.200 0.009 0.000 0.942 523 S CB -0.116 63.087 63.200 0.004 0.000 0.768 523 S HN 0.508 nan 8.310 nan 0.000 0.520 524 C N 2.430 121.736 119.300 0.011 0.000 2.791 524 C HA 0.352 4.812 4.460 0.000 0.000 0.270 524 C C 1.009 176.021 174.990 0.037 0.000 1.257 524 C CA 0.358 59.389 59.018 0.022 0.000 1.699 524 C CB -1.783 25.960 27.740 0.005 0.000 1.904 524 C HN 0.766 nan 8.230 nan 0.000 0.603 525 S N -0.356 115.363 115.700 0.030 0.000 3.550 525 S HA -0.157 4.313 4.470 0.000 0.000 0.372 525 S C -0.370 174.261 174.600 0.052 0.000 0.966 525 S CA 0.539 58.761 58.200 0.036 0.000 1.229 525 S CB -2.635 60.586 63.200 0.035 0.000 0.917 525 S HN 0.533 nan 8.310 nan 0.000 0.496 526 V N 0.951 120.894 119.914 0.049 0.000 2.448 526 V HA 0.817 4.937 4.120 0.000 0.000 0.295 526 V C 0.763 176.886 176.094 0.049 0.000 1.025 526 V CA -0.418 61.926 62.300 0.074 0.000 0.859 526 V CB 1.521 33.392 31.823 0.080 0.000 0.988 526 V HN 0.942 nan 8.190 nan 0.000 0.431 527 A N 2.989 125.844 122.820 0.057 0.000 2.366 527 A HA 0.523 4.843 4.320 0.000 0.000 0.249 527 A C 0.627 178.230 177.584 0.031 0.000 1.084 527 A CA 0.160 52.218 52.037 0.037 0.000 0.794 527 A CB 0.534 19.553 19.000 0.032 0.000 1.034 527 A HN 0.878 nan 8.150 nan 0.000 0.491 528 T N 0.702 115.266 114.554 0.018 0.000 3.390 528 T HA 0.398 4.748 4.350 0.000 0.000 0.351 528 T C 0.179 174.882 174.700 0.005 0.000 1.759 528 T CA -0.284 61.823 62.100 0.011 0.000 1.561 528 T CB -0.672 68.199 68.868 0.004 0.000 1.011 528 T HN 0.744 nan 8.240 nan 0.000 0.689 529 E N 1.497 121.701 120.200 0.006 0.000 3.770 529 E HA 0.569 4.919 4.350 0.000 0.000 0.331 529 E C 0.669 177.260 176.600 -0.016 0.000 0.714 529 E CA -0.723 55.674 56.400 -0.005 0.000 1.547 529 E CB 0.625 30.322 29.700 -0.004 0.000 2.420 529 E HN 0.382 nan 8.360 nan 0.000 0.501 530 G N 1.305 110.090 108.800 -0.026 0.000 4.613 530 G HA2 0.152 4.112 3.960 0.000 0.000 0.232 530 G HA3 0.152 4.112 3.960 0.000 0.000 0.232 530 G C -0.802 174.061 174.900 -0.062 0.000 0.947 530 G CA -0.469 44.599 45.100 -0.054 0.000 0.715 530 G HN 0.262 nan 8.290 nan 0.000 0.518 531 N N 0.389 119.069 118.700 -0.033 0.000 2.470 531 N HA -0.154 4.586 4.740 0.000 0.000 0.292 531 N C 1.285 176.775 175.510 -0.033 0.000 1.531 531 N CA 1.574 54.608 53.050 -0.027 0.000 0.780 531 N CB -0.402 38.060 38.487 -0.041 0.000 0.975 531 N HN 1.886 nan 8.380 nan 0.000 0.466 532 A N 1.693 124.501 122.820 -0.021 0.000 4.832 532 A HA -0.267 4.053 4.320 0.000 0.000 0.351 532 A C 1.008 178.579 177.584 -0.021 0.000 1.699 532 A CA 3.252 55.275 52.037 -0.023 0.000 0.731 532 A CB -1.982 16.997 19.000 -0.034 0.000 1.480 532 A HN 2.258 nan 8.150 nan 0.000 0.447 533 A N -0.195 122.608 122.820 -0.029 0.000 2.587 533 A HA 0.495 4.815 4.320 0.000 0.000 0.233 533 A C 0.939 178.509 177.584 -0.024 0.000 1.049 533 A CA 1.072 53.093 52.037 -0.027 0.000 0.754 533 A CB -0.376 18.605 19.000 -0.032 0.000 0.977 533 A HN 2.401 nan 8.150 nan 0.000 0.509 534 A N 3.087 125.896 122.820 -0.019 0.000 3.048 534 A HA 0.375 4.695 4.320 0.000 0.000 0.264 534 A C 0.778 178.351 177.584 -0.017 0.000 1.796 534 A CA -0.033 51.996 52.037 -0.015 0.000 1.445 534 A CB -1.325 17.668 19.000 -0.011 0.000 1.074 534 A HN 1.057 nan 8.150 nan 0.000 0.621 535 N N -0.237 118.450 118.700 -0.023 0.000 2.701 535 N HA -0.171 4.569 4.740 0.000 0.000 0.252 535 N C 0.916 176.412 175.510 -0.023 0.000 1.002 535 N CA 1.656 54.691 53.050 -0.025 0.000 0.758 535 N CB -0.830 37.645 38.487 -0.019 0.000 0.937 535 N HN 0.741 nan 8.380 nan 0.000 0.538 536 T N -2.434 112.105 114.554 -0.025 0.000 3.114 536 T HA 0.258 4.608 4.350 0.000 0.000 0.240 536 T C 1.153 175.839 174.700 -0.023 0.000 0.983 536 T CA 0.675 62.763 62.100 -0.021 0.000 1.151 536 T CB 0.029 68.886 68.868 -0.018 0.000 0.974 536 T HN 0.143 nan 8.240 nan 0.000 0.442 537 L N 0.094 121.301 121.223 -0.028 0.000 2.948 537 L HA 0.452 4.792 4.340 0.000 0.000 0.259 537 L C 0.181 177.027 176.870 -0.039 0.000 1.136 537 L CA 0.681 55.504 54.840 -0.029 0.000 0.959 537 L CB 0.637 42.680 42.059 -0.027 0.000 1.370 537 L HN 0.143 nan 8.230 nan 0.000 0.552 538 D N -0.550 119.822 120.400 -0.048 0.000 3.028 538 D HA -0.202 4.438 4.640 0.000 0.000 0.211 538 D C -0.345 175.911 176.300 -0.074 0.000 1.136 538 D CA 1.137 55.096 54.000 -0.069 0.000 0.987 538 D CB -0.753 40.000 40.800 -0.079 0.000 1.128 538 D HN 0.042 nan 8.370 nan 0.000 0.406 539 L N 0.924 122.114 121.223 -0.056 0.000 2.272 539 L HA 0.383 4.723 4.340 0.000 0.000 0.289 539 L C 1.327 178.168 176.870 -0.047 0.000 1.032 539 L CA -0.480 54.329 54.840 -0.052 0.000 0.810 539 L CB 1.127 43.162 42.059 -0.040 0.000 1.205 539 L HN 0.029 nan 8.230 nan 0.000 0.422 540 T N -1.531 112.992 114.554 -0.051 0.000 2.770 540 T HA 0.452 4.803 4.350 0.000 0.000 0.281 540 T C -0.202 174.472 174.700 -0.042 0.000 0.981 540 T CA -0.661 61.410 62.100 -0.049 0.000 0.955 540 T CB 1.096 69.931 68.868 -0.055 0.000 1.060 540 T HN 0.466 nan 8.240 nan 0.000 0.531 541 D N 1.544 121.919 120.400 -0.042 0.000 2.978 541 D HA 0.200 4.840 4.640 0.000 0.000 0.268 541 D C 0.568 176.841 176.300 -0.045 0.000 1.252 541 D CA -0.377 53.599 54.000 -0.040 0.000 0.771 541 D CB 0.592 41.372 40.800 -0.033 0.000 1.361 541 D HN 0.452 nan 8.370 nan 0.000 0.558 542 L N -0.966 120.225 121.223 -0.052 0.000 2.718 542 L HA 0.569 4.909 4.340 0.000 0.000 0.152 542 L C 0.640 177.467 176.870 -0.072 0.000 1.375 542 L CA 0.162 54.964 54.840 -0.063 0.000 2.008 542 L CB -1.272 40.746 42.059 -0.069 0.000 2.549 542 L HN 0.052 nan 8.230 nan 0.000 0.557 543 T N -0.076 114.423 114.554 -0.092 0.000 3.008 543 T HA 0.657 5.007 4.350 0.000 0.000 0.328 543 T C -0.201 174.425 174.700 -0.124 0.000 1.020 543 T CA -0.151 61.885 62.100 -0.107 0.000 1.043 543 T CB 0.104 68.895 68.868 -0.128 0.000 1.010 543 T HN 1.063 nan 8.240 nan 0.000 0.466 544 G N 2.719 111.455 108.800 -0.106 0.000 2.511 544 G HA2 0.630 4.590 3.960 0.000 0.000 0.316 544 G HA3 0.630 4.590 3.960 0.000 0.000 0.316 544 G C -0.307 174.516 174.900 -0.128 0.000 1.210 544 G CA -0.878 44.157 45.100 -0.109 0.000 0.969 544 G HN 0.870 nan 8.290 nan 0.000 0.492 545 E N -0.724 119.395 120.200 -0.134 0.000 2.349 545 E HA 0.157 4.507 4.350 0.000 0.000 0.262 545 E C -0.404 176.114 176.600 -0.138 0.000 1.088 545 E CA -0.622 55.669 56.400 -0.181 0.000 0.899 545 E CB 0.826 30.405 29.700 -0.202 0.000 1.044 545 E HN 0.447 nan 8.360 nan 0.000 0.420 546 N N 0.433 119.030 118.700 -0.171 0.000 2.353 546 N HA 0.035 4.775 4.740 0.000 0.000 0.248 546 N C -0.117 175.368 175.510 -0.042 0.000 1.240 546 N CA -0.024 52.973 53.050 -0.087 0.000 0.862 546 N CB 0.597 39.052 38.487 -0.053 0.000 1.086 546 N HN 0.441 nan 8.380 nan 0.000 0.453 547 V N -0.287 119.611 119.914 -0.026 0.000 3.237 547 V HA 0.075 4.195 4.120 0.000 0.000 0.305 547 V C 0.696 176.798 176.094 0.014 0.000 1.096 547 V CA -0.601 61.693 62.300 -0.011 0.000 1.130 547 V CB 0.547 32.355 31.823 -0.025 0.000 1.048 547 V HN 0.569 nan 8.190 nan 0.000 0.484 548 Q N -0.386 119.429 119.800 0.024 0.000 2.407 548 Q HA 0.235 4.575 4.340 0.000 0.000 0.214 548 Q C 0.635 176.657 176.000 0.036 0.000 1.043 548 Q CA 0.377 56.212 55.803 0.054 0.000 0.983 548 Q CB 0.379 29.138 28.738 0.035 0.000 1.211 548 Q HN 0.871 nan 8.270 nan 0.000 0.564 549 H N -0.653 118.422 119.070 0.009 0.000 2.539 549 H HA 0.428 4.985 4.556 0.000 0.000 0.269 549 H C -0.184 175.145 175.328 0.001 0.000 0.980 549 H CA 0.285 56.339 56.048 0.011 0.000 1.152 549 H CB 0.332 30.102 29.762 0.013 0.000 1.407 549 H HN 0.556 nan 8.280 nan 0.000 0.564 550 A N 0.000 122.868 122.820 0.080 0.000 2.254 550 A HA 0.000 4.320 4.320 0.000 0.000 0.244 550 A CA 0.000 52.066 52.037 0.049 0.000 0.836 550 A CB 0.000 19.016 19.000 0.026 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486