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_A 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 0.000 176.455 176.600 -0.242 0.000 1.382 22 E CA 0.000 56.293 56.400 -0.178 0.000 0.976 22 E CB 0.000 29.572 29.700 -0.214 0.000 0.812 23 T N 3.533 117.908 114.554 -0.299 0.000 2.758 23 T HA 0.382 4.731 4.350 -0.000 0.000 0.285 23 T C -0.799 173.650 174.700 -0.417 0.000 0.981 23 T CA -0.561 61.378 62.100 -0.269 0.000 0.965 23 T CB 0.388 69.151 68.868 -0.175 0.000 0.927 23 T HN 0.243 nan 8.240 nan 0.000 0.448 24 H N 2.398 121.353 119.070 -0.191 0.000 2.541 24 H HA 0.358 4.914 4.556 -0.000 0.000 0.316 24 H C -0.223 174.887 175.328 -0.363 0.000 1.043 24 H CA -0.492 55.380 56.048 -0.293 0.000 1.232 24 H CB 1.087 30.725 29.762 -0.207 0.000 1.406 24 H HN 0.442 nan 8.280 nan 0.000 0.469 25 T N 4.944 119.273 114.554 -0.374 0.000 2.779 25 T HA 0.378 4.728 4.350 -0.000 0.000 0.280 25 T C -0.257 174.137 174.700 -0.509 0.000 0.987 25 T CA -0.487 61.441 62.100 -0.288 0.000 0.966 25 T CB 0.366 69.164 68.868 -0.116 0.000 0.933 25 T HN 0.246 nan 8.240 nan 0.000 0.442 26 F N 2.439 122.271 119.950 -0.197 0.000 2.508 26 F HA 0.525 5.052 4.527 -0.000 0.000 0.325 26 F C 0.490 176.137 175.800 -0.255 0.000 1.090 26 F CA -1.157 56.629 58.000 -0.356 0.000 0.945 26 F CB 1.548 39.964 39.000 -0.973 0.000 1.156 26 F HN 0.367 nan 8.300 nan 0.000 0.463 27 N N 2.765 121.494 118.700 0.047 0.000 2.564 27 N HA 0.274 5.014 4.740 -0.000 0.000 0.248 27 N C -2.015 173.679 175.510 0.306 0.000 0.986 27 N CA -0.436 52.697 53.050 0.138 0.000 0.921 27 N CB 0.587 39.130 38.487 0.093 0.000 1.136 27 N HN 0.357 nan 8.380 nan 0.000 0.509 28 W N 2.153 123.574 121.300 0.203 0.000 2.587 28 W HA 0.465 5.125 4.660 -0.000 0.000 0.324 28 W C -0.465 176.128 176.519 0.123 0.000 1.040 28 W CA -0.717 56.692 57.345 0.107 0.000 1.222 28 W CB 1.319 30.858 29.460 0.132 0.000 1.381 28 W HN 0.191 nan 8.180 nan 0.000 0.483 29 T N 1.608 116.317 114.554 0.258 0.000 2.809 29 T HA 0.327 4.677 4.350 -0.000 0.000 0.284 29 T C 0.293 175.072 174.700 0.130 0.000 0.992 29 T CA -0.484 61.733 62.100 0.194 0.000 0.957 29 T CB 1.332 70.279 68.868 0.132 0.000 0.942 29 T HN 0.318 nan 8.240 nan 0.000 0.439 30 T N 1.113 115.806 114.554 0.231 0.000 2.926 30 T HA 0.644 4.994 4.350 -0.000 0.000 0.307 30 T C 0.555 175.304 174.700 0.083 0.000 1.059 30 T CA -0.492 61.742 62.100 0.224 0.000 1.122 30 T CB 1.063 70.070 68.868 0.231 0.000 0.972 30 T HN 0.849 nan 8.240 nan 0.000 0.545 31 G N 0.481 109.273 108.800 -0.012 0.000 2.600 31 G HA2 0.515 4.475 3.960 -0.000 0.000 0.293 31 G HA3 0.515 4.475 3.960 -0.000 0.000 0.293 31 G C -2.306 172.481 174.900 -0.188 0.000 1.408 31 G CA -1.312 43.769 45.100 -0.031 0.000 0.782 31 G HN 0.740 nan 8.290 nan 0.000 0.482 32 W N 0.350 121.694 121.300 0.074 0.000 2.587 32 W HA 0.679 5.339 4.660 -0.000 0.000 0.324 32 W C -0.555 175.956 176.519 -0.014 0.000 1.040 32 W CA -0.300 57.056 57.345 0.018 0.000 1.222 32 W CB 2.404 31.852 29.460 -0.020 0.000 1.381 32 W HN 0.318 nan 8.180 nan 0.000 0.483 33 D N 0.909 121.422 120.400 0.187 0.000 2.661 33 D HA 0.145 4.785 4.640 -0.000 0.000 0.228 33 D C -1.429 174.864 176.300 -0.010 0.000 1.210 33 D CA -0.852 53.209 54.000 0.102 0.000 0.826 33 D CB 2.253 43.117 40.800 0.106 0.000 1.542 33 D HN 0.145 nan 8.370 nan 0.000 0.447 34 Y N 1.173 121.522 120.300 0.082 0.000 2.442 34 Y HA 0.216 4.766 4.550 -0.000 0.000 0.330 34 Y C 0.941 176.840 175.900 -0.001 0.000 1.129 34 Y CA 0.268 58.395 58.100 0.046 0.000 1.365 34 Y CB 0.638 39.120 38.460 0.037 0.000 1.233 34 Y HN -0.057 nan 8.280 nan 0.000 0.529 35 R N 1.727 122.276 120.500 0.081 0.000 2.808 35 R HA 0.261 4.601 4.340 -0.000 0.000 0.272 35 R C -1.170 175.157 176.300 0.045 0.000 0.995 35 R CA -1.201 54.903 56.100 0.006 0.000 0.917 35 R CB 1.568 31.752 30.300 -0.194 0.000 1.217 35 R HN 0.532 nan 8.270 nan 0.000 0.471 36 N N 1.725 120.437 118.700 0.020 0.000 2.936 36 N HA 0.100 4.840 4.740 -0.000 0.000 0.243 36 N C 0.530 176.006 175.510 -0.057 0.000 1.149 36 N CA -0.036 53.024 53.050 0.017 0.000 0.914 36 N CB 0.702 39.203 38.487 0.023 0.000 1.179 36 N HN 0.264 nan 8.380 nan 0.000 0.502 37 V N 1.668 121.483 119.914 -0.165 0.000 2.307 37 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 37 V C 1.845 177.741 176.094 -0.331 0.000 1.045 37 V CA 1.358 63.426 62.300 -0.386 0.000 1.024 37 V CB -0.389 30.816 31.823 -1.031 0.000 0.651 37 V HN 0.476 nan 8.190 nan 0.000 0.449 38 D N -0.035 120.205 120.400 -0.266 0.000 2.116 38 D HA -0.095 4.544 4.640 -0.000 0.000 0.193 38 D C 1.884 178.188 176.300 0.006 0.000 0.998 38 D CA 2.084 56.065 54.000 -0.032 0.000 0.836 38 D CB -0.234 40.721 40.800 0.258 0.000 0.951 38 D HN 0.550 nan 8.370 nan 0.000 0.449 39 G N -0.736 108.069 108.800 0.008 0.000 2.218 39 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 39 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 39 G C 0.867 175.797 174.900 0.050 0.000 0.994 39 G CA 0.436 45.551 45.100 0.025 0.000 0.637 39 G HN 0.429 nan 8.290 nan 0.000 0.505 40 L N -3.106 118.163 121.223 0.077 0.000 3.298 40 L HA 0.714 5.054 4.340 -0.000 0.000 0.296 40 L C 0.072 176.941 176.870 -0.001 0.000 1.237 40 L CA -0.440 54.449 54.840 0.083 0.000 1.038 40 L CB 0.686 42.843 42.059 0.164 0.000 1.423 40 L HN -0.012 nan 8.230 nan 0.000 0.605 41 K N 1.255 121.611 120.400 -0.074 0.000 2.635 41 K HA 0.306 4.626 4.320 -0.000 0.000 0.266 41 K C -1.284 175.309 176.600 -0.011 0.000 1.033 41 K CA 0.110 56.306 56.287 -0.152 0.000 0.919 41 K CB 2.399 34.533 32.500 -0.611 0.000 1.289 41 K HN -0.021 nan 8.250 nan 0.000 0.463 42 S N 2.795 118.518 115.700 0.039 0.000 2.531 42 S HA 0.412 4.882 4.470 -0.000 0.000 0.279 42 S C -0.402 174.356 174.600 0.263 0.000 1.305 42 S CA -0.101 58.178 58.200 0.131 0.000 1.058 42 S CB 0.290 63.538 63.200 0.079 0.000 0.899 42 S HN 0.523 nan 8.310 nan 0.000 0.493 43 R N 4.285 125.000 120.500 0.358 0.000 2.604 43 R HA 0.338 4.678 4.340 -0.000 0.000 0.261 43 R C -3.375 172.923 176.300 -0.003 0.000 1.080 43 R CA -1.822 54.415 56.100 0.228 0.000 0.917 43 R CB 1.581 31.983 30.300 0.170 0.000 1.252 43 R HN 0.331 nan 8.270 nan 0.000 0.456 44 P HA 0.078 nan 4.420 nan 0.000 0.271 44 P C -0.586 176.803 177.300 0.148 0.000 1.220 44 P CA -0.279 62.623 63.100 -0.331 0.000 0.768 44 P CB 0.949 32.380 31.700 -0.448 0.000 0.848 45 V N 1.200 121.204 119.914 0.149 0.000 3.074 45 V HA 0.550 4.670 4.120 -0.000 0.000 0.314 45 V C -0.193 175.900 176.094 -0.003 0.000 1.117 45 V CA -1.252 61.109 62.300 0.101 0.000 1.014 45 V CB 1.894 33.495 31.823 -0.371 0.000 1.057 45 V HN 0.249 nan 8.190 nan 0.000 0.438 46 I N 3.185 123.684 120.570 -0.119 0.000 2.379 46 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 46 I C 0.853 177.201 176.117 0.385 0.000 1.063 46 I CA 0.092 61.256 61.300 -0.227 0.000 1.351 46 I CB 0.945 38.753 38.000 -0.320 0.000 1.410 46 I HN 0.933 nan 8.210 nan 0.000 0.505 47 T N 2.382 117.048 114.554 0.187 0.000 2.918 47 T HA 0.324 4.674 4.350 -0.000 0.000 0.283 47 T C -0.301 174.242 174.700 -0.263 0.000 1.001 47 T CA -0.781 61.388 62.100 0.114 0.000 1.041 47 T CB 1.869 70.755 68.868 0.031 0.000 1.028 47 T HN 0.660 nan 8.240 nan 0.000 0.511 48 C N 3.589 122.343 119.300 -0.909 0.000 2.271 48 C HA 0.515 4.975 4.460 -0.000 0.000 0.323 48 C C 0.372 175.014 174.990 -0.580 0.000 1.245 48 C CA -0.460 57.777 59.018 -1.301 0.000 1.548 48 C CB -1.823 24.490 27.740 -2.379 0.000 2.214 48 C HN 0.975 nan 8.230 nan 0.000 0.477 49 N N 3.934 122.460 118.700 -0.290 0.000 2.727 49 N HA -0.189 4.550 4.740 -0.000 0.000 0.249 49 N C 0.992 176.450 175.510 -0.087 0.000 1.048 49 N CA 1.993 54.978 53.050 -0.108 0.000 0.714 49 N CB -1.439 37.018 38.487 -0.050 0.000 0.959 49 N HN 1.776 nan 8.380 nan 0.000 0.544 50 G N -2.079 106.672 108.800 -0.081 0.000 2.184 50 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 50 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 50 G C -0.174 174.706 174.900 -0.032 0.000 0.975 50 G CA 0.688 45.771 45.100 -0.028 0.000 0.642 50 G HN 0.484 nan 8.290 nan 0.000 0.536 51 Q N -0.811 118.923 119.800 -0.109 0.000 2.266 51 Q HA 0.809 5.148 4.340 -0.000 0.000 0.261 51 Q C -1.065 174.911 176.000 -0.040 0.000 0.985 51 Q CA -0.776 54.979 55.803 -0.080 0.000 0.873 51 Q CB 2.237 30.892 28.738 -0.138 0.000 1.306 51 Q HN 0.424 nan 8.270 nan 0.000 0.447 52 F N 2.209 122.092 119.950 -0.112 0.000 2.581 52 F HA 0.499 5.026 4.527 -0.000 0.000 0.311 52 F C -2.280 173.490 175.800 -0.050 0.000 1.113 52 F CA -1.706 56.257 58.000 -0.061 0.000 0.935 52 F CB 1.483 40.484 39.000 0.002 0.000 1.232 52 F HN 0.398 nan 8.300 nan 0.000 0.445 53 P HA 0.180 nan 4.420 nan 0.000 0.277 53 P C -1.044 175.953 177.300 -0.505 0.000 1.271 53 P CA -0.235 62.191 63.100 -1.123 0.000 0.795 53 P CB 0.638 31.865 31.700 -0.789 0.000 1.101 54 W N 1.222 122.160 121.300 -0.603 0.000 2.148 54 W HA 0.159 4.819 4.660 -0.000 0.000 0.347 54 W C -1.433 174.891 176.519 -0.325 0.000 1.288 54 W CA -0.738 56.363 57.345 -0.406 0.000 1.252 54 W CB -1.196 28.068 29.460 -0.327 0.000 1.156 54 W HN 0.334 nan 8.180 nan 0.000 0.580 55 P HA 0.060 nan 4.420 nan 0.000 0.274 55 P C -0.726 176.626 177.300 0.086 0.000 1.246 55 P CA -0.037 63.019 63.100 -0.073 0.000 0.795 55 P CB 0.926 32.567 31.700 -0.099 0.000 1.006 56 D N 0.822 121.264 120.400 0.070 0.000 2.185 56 D HA 0.412 5.052 4.640 -0.000 0.000 0.247 56 D C 0.230 176.562 176.300 0.054 0.000 1.027 56 D CA -0.214 53.849 54.000 0.107 0.000 0.861 56 D CB 1.535 42.351 40.800 0.027 0.000 1.202 56 D HN 0.246 nan 8.370 nan 0.000 0.453 57 I N 1.022 121.582 120.570 -0.017 0.000 2.353 57 I HA 0.196 4.366 4.170 -0.000 0.000 0.293 57 I C 0.167 176.075 176.117 -0.349 0.000 0.992 57 I CA -0.152 60.989 61.300 -0.265 0.000 1.268 57 I CB 1.407 39.024 38.000 -0.638 0.000 1.387 57 I HN 0.051 nan 8.210 nan 0.000 0.478 58 T N 6.048 120.431 114.554 -0.285 0.000 2.847 58 T HA 0.556 4.906 4.350 -0.000 0.000 0.291 58 T C -0.332 174.173 174.700 -0.326 0.000 0.998 58 T CA -0.564 61.387 62.100 -0.248 0.000 0.967 58 T CB 1.461 70.264 68.868 -0.109 0.000 0.954 58 T HN 0.442 nan 8.240 nan 0.000 0.441 59 V N 1.244 120.977 119.914 -0.301 0.000 3.155 59 V HA 0.745 4.865 4.120 -0.000 0.000 0.313 59 V C -0.716 175.356 176.094 -0.036 0.000 1.162 59 V CA -1.190 60.968 62.300 -0.236 0.000 1.048 59 V CB 2.230 33.881 31.823 -0.286 0.000 1.092 59 V HN 0.656 nan 8.190 nan 0.000 0.447 60 N N 0.789 119.513 118.700 0.040 0.000 2.492 60 N HA 0.352 5.092 4.740 -0.000 0.000 0.289 60 N C -0.583 174.956 175.510 0.049 0.000 1.133 60 N CA -0.642 52.437 53.050 0.048 0.000 0.961 60 N CB 1.667 40.185 38.487 0.052 0.000 1.186 60 N HN 0.826 nan 8.380 nan 0.000 0.493 61 K N 0.397 120.822 120.400 0.042 0.000 2.511 61 K HA -0.026 4.294 4.320 -0.000 0.000 0.277 61 K C 0.963 177.568 176.600 0.009 0.000 1.025 61 K CA 1.341 57.644 56.287 0.027 0.000 1.112 61 K CB -0.587 31.927 32.500 0.022 0.000 0.859 61 K HN 0.754 nan 8.250 nan 0.000 0.485 62 G N 2.782 111.579 108.800 -0.005 0.000 2.159 62 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.256 62 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.256 62 G C -0.262 174.637 174.900 -0.003 0.000 0.977 62 G CA 0.220 45.307 45.100 -0.021 0.000 0.652 62 G HN 0.703 nan 8.290 nan 0.000 0.531 63 D N -0.293 120.121 120.400 0.024 0.000 2.357 63 D HA 0.449 5.089 4.640 -0.000 0.000 0.242 63 D C 0.878 177.178 176.300 -0.001 0.000 1.153 63 D CA -0.128 53.894 54.000 0.037 0.000 0.918 63 D CB 0.579 41.461 40.800 0.136 0.000 1.181 63 D HN 0.419 nan 8.370 nan 0.000 0.435 64 R N 0.616 121.097 120.500 -0.032 0.000 2.312 64 R HA 0.481 4.821 4.340 -0.000 0.000 0.311 64 R C -1.404 174.804 176.300 -0.152 0.000 1.004 64 R CA -0.607 55.423 56.100 -0.116 0.000 0.902 64 R CB 0.731 30.966 30.300 -0.108 0.000 1.073 64 R HN 0.139 nan 8.270 nan 0.000 0.457 65 V N 5.041 124.708 119.914 -0.413 0.000 2.409 65 V HA 0.279 4.399 4.120 -0.000 0.000 0.291 65 V C -0.587 175.208 176.094 -0.499 0.000 1.020 65 V CA -0.657 61.371 62.300 -0.454 0.000 0.848 65 V CB 1.620 33.036 31.823 -0.679 0.000 0.990 65 V HN 0.799 nan 8.190 nan 0.000 0.430 66 Q N 5.277 124.928 119.800 -0.248 0.000 2.401 66 Q HA 0.581 4.921 4.340 -0.000 0.000 0.260 66 Q C -1.101 174.786 176.000 -0.188 0.000 1.034 66 Q CA -0.244 55.414 55.803 -0.242 0.000 0.737 66 Q CB 2.255 30.856 28.738 -0.229 0.000 1.227 66 Q HN 0.684 nan 8.270 nan 0.000 0.488 67 I N 2.275 122.752 120.570 -0.156 0.000 2.330 67 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 67 I C -0.750 175.308 176.117 -0.099 0.000 1.001 67 I CA -0.855 60.366 61.300 -0.131 0.000 1.193 67 I CB 0.663 38.580 38.000 -0.139 0.000 1.345 67 I HN 0.486 nan 8.210 nan 0.000 0.461 68 Y N 6.758 127.062 120.300 0.007 0.000 2.556 68 Y HA 0.312 4.862 4.550 -0.000 0.000 0.352 68 Y C 0.154 176.142 175.900 0.147 0.000 1.006 68 Y CA -0.195 57.943 58.100 0.064 0.000 1.277 68 Y CB 0.577 39.051 38.460 0.023 0.000 1.136 68 Y HN 0.426 nan 8.280 nan 0.000 0.523 69 L N 3.964 125.403 121.223 0.360 0.000 2.276 69 L HA 0.431 4.771 4.340 -0.000 0.000 0.286 69 L C -0.436 176.633 176.870 0.332 0.000 1.061 69 L CA -0.120 54.972 54.840 0.420 0.000 0.807 69 L CB 0.890 43.262 42.059 0.522 0.000 1.177 69 L HN 0.527 nan 8.230 nan 0.000 0.429 70 T N 3.008 117.749 114.554 0.312 0.000 2.792 70 T HA 0.191 4.541 4.350 -0.000 0.000 0.280 70 T C -0.054 174.782 174.700 0.226 0.000 0.990 70 T CA -0.536 61.703 62.100 0.232 0.000 0.960 70 T CB 0.976 69.955 68.868 0.186 0.000 0.939 70 T HN 0.418 nan 8.240 nan 0.000 0.439 71 N N 2.300 121.116 118.700 0.194 0.000 2.402 71 N HA 0.195 4.935 4.740 -0.000 0.000 0.259 71 N C 1.000 176.602 175.510 0.154 0.000 1.167 71 N CA -0.264 52.892 53.050 0.178 0.000 0.949 71 N CB 0.589 39.172 38.487 0.159 0.000 1.212 71 N HN 0.866 nan 8.380 nan 0.000 0.493 72 G N 2.895 111.787 108.800 0.153 0.000 3.337 72 G HA2 0.118 4.078 3.960 -0.000 0.000 0.246 72 G HA3 0.118 4.078 3.960 -0.000 0.000 0.246 72 G C 0.485 175.479 174.900 0.156 0.000 1.131 72 G CA -0.255 44.927 45.100 0.137 0.000 0.773 72 G HN 0.464 nan 8.290 nan 0.000 0.544 73 M N 0.239 119.944 119.600 0.174 0.000 2.250 73 M HA 0.222 4.702 4.480 -0.000 0.000 0.344 73 M C 1.353 177.787 176.300 0.224 0.000 1.150 73 M CA -0.377 55.074 55.300 0.251 0.000 1.147 73 M CB 1.356 34.125 32.600 0.283 0.000 1.498 73 M HN 0.013 nan 8.290 nan 0.000 0.461 74 N N 0.895 119.736 118.700 0.236 0.000 2.409 74 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 74 N C 0.524 176.113 175.510 0.131 0.000 1.032 74 N CA 1.088 54.233 53.050 0.157 0.000 0.898 74 N CB 0.270 38.833 38.487 0.128 0.000 0.971 74 N HN 0.741 nan 8.380 nan 0.000 0.441 75 N N -3.036 115.754 118.700 0.150 0.000 1.885 75 N HA 0.011 4.751 4.740 -0.000 0.000 0.229 75 N C -0.824 174.766 175.510 0.132 0.000 1.411 75 N CA -0.007 53.114 53.050 0.118 0.000 0.790 75 N CB 0.057 38.596 38.487 0.087 0.000 1.064 75 N HN -0.144 nan 8.380 nan 0.000 0.492 76 T N 0.629 115.288 114.554 0.175 0.000 2.943 76 T HA 0.454 4.804 4.350 -0.000 0.000 0.284 76 T C 0.017 174.810 174.700 0.155 0.000 1.015 76 T CA -0.622 61.581 62.100 0.172 0.000 1.042 76 T CB 1.408 70.409 68.868 0.221 0.000 1.055 76 T HN -0.025 nan 8.240 nan 0.000 0.500 77 N N 1.083 119.869 118.700 0.143 0.000 2.408 77 N HA 0.556 5.296 4.740 -0.000 0.000 0.260 77 N C -0.079 175.515 175.510 0.141 0.000 1.242 77 N CA -0.250 52.882 53.050 0.136 0.000 0.959 77 N CB 0.793 39.359 38.487 0.132 0.000 1.201 77 N HN 0.729 nan 8.380 nan 0.000 0.511 78 T N -1.634 113.004 114.554 0.140 0.000 2.841 78 T HA 0.772 5.122 4.350 -0.000 0.000 0.296 78 T C -0.577 174.216 174.700 0.156 0.000 1.166 78 T CA -0.826 61.360 62.100 0.144 0.000 1.007 78 T CB 1.479 70.442 68.868 0.160 0.000 1.253 78 T HN 0.586 nan 8.240 nan 0.000 0.511 79 S N -0.068 115.725 115.700 0.156 0.000 2.611 79 S HA 0.778 5.248 4.470 -0.000 0.000 0.268 79 S C -1.411 173.239 174.600 0.083 0.000 1.156 79 S CA -1.053 57.259 58.200 0.187 0.000 0.817 79 S CB 1.741 65.040 63.200 0.165 0.000 1.122 79 S HN 0.961 nan 8.310 nan 0.000 0.466 80 M N 2.073 121.639 119.600 -0.056 0.000 2.271 80 M HA 0.541 5.021 4.480 -0.000 0.000 0.285 80 M C -1.987 173.888 176.300 -0.709 0.000 1.059 80 M CA -0.196 54.837 55.300 -0.445 0.000 0.940 80 M CB 1.847 34.090 32.600 -0.595 0.000 1.636 80 M HN 1.069 nan 8.290 nan 0.000 0.460 81 H N 3.717 122.285 119.070 -0.837 0.000 2.495 81 H HA 0.568 5.124 4.556 -0.000 0.000 0.348 81 H C -2.055 172.611 175.328 -1.103 0.000 1.113 81 H CA -0.647 54.931 56.048 -0.783 0.000 1.195 81 H CB 0.967 30.475 29.762 -0.423 0.000 1.521 81 H HN 0.566 nan 8.280 nan 0.000 0.509 82 F N 4.099 123.487 119.950 -0.938 0.000 2.303 82 F HA 0.175 4.702 4.527 -0.000 0.000 0.368 82 F C 0.354 175.482 175.800 -1.121 0.000 1.105 82 F CA -0.742 56.715 58.000 -0.904 0.000 1.153 82 F CB 0.123 38.651 39.000 -0.787 0.000 1.362 82 F HN 0.643 nan 8.300 nan 0.000 0.511 83 H N 2.094 120.505 119.070 -1.097 0.000 3.026 83 H HA 0.409 4.965 4.556 -0.000 0.000 0.289 83 H C 1.135 176.287 175.328 -0.293 0.000 1.022 83 H CA 1.195 56.740 56.048 -0.839 0.000 1.477 83 H CB 0.347 29.515 29.762 -0.991 0.000 1.510 83 H HN 0.887 nan 8.280 nan 0.000 0.535 84 G N 3.704 112.394 108.800 -0.184 0.000 2.259 84 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 84 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 84 G C -0.385 174.346 174.900 -0.283 0.000 1.001 84 G CA -0.095 45.056 45.100 0.086 0.000 0.627 84 G HN 0.577 nan 8.290 nan 0.000 0.501 85 L N 1.505 122.431 121.223 -0.495 0.000 2.453 85 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 85 L C 1.514 178.175 176.870 -0.348 0.000 1.182 85 L CA 0.060 54.517 54.840 -0.639 0.000 0.858 85 L CB 0.027 41.684 42.059 -0.670 0.000 1.120 85 L HN 0.071 nan 8.230 nan 0.000 0.474 86 F N 0.577 120.372 119.950 -0.259 0.000 2.558 86 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 86 F C 1.245 176.928 175.800 -0.195 0.000 1.119 86 F CA -0.073 57.734 58.000 -0.323 0.000 1.451 86 F CB -0.460 38.373 39.000 -0.278 0.000 1.091 86 F HN 0.504 nan 8.300 nan 0.000 0.563 87 Q N 0.393 120.246 119.800 0.087 0.000 2.435 87 Q HA -0.279 4.061 4.340 -0.000 0.000 0.286 87 Q C -0.202 175.940 176.000 0.238 0.000 1.229 87 Q CA 0.408 56.301 55.803 0.150 0.000 0.884 87 Q CB -2.498 26.364 28.738 0.208 0.000 1.245 87 Q HN 0.399 nan 8.270 nan 0.000 0.488 88 N N 0.567 119.370 118.700 0.172 0.000 2.429 88 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 88 N C 1.317 176.906 175.510 0.131 0.000 1.272 88 N CA 1.901 54.992 53.050 0.067 0.000 0.921 88 N CB 0.179 38.495 38.487 -0.286 0.000 1.128 88 N HN 0.539 nan 8.380 nan 0.000 0.481 89 G N 2.435 111.306 108.800 0.119 0.000 2.199 89 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.254 89 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.254 89 G C 0.296 175.260 174.900 0.106 0.000 0.982 89 G CA 0.733 45.900 45.100 0.111 0.000 0.632 89 G HN 0.841 nan 8.290 nan 0.000 0.529 90 T N -3.168 111.457 114.554 0.118 0.000 3.741 90 T HA 0.727 5.077 4.350 -0.000 0.000 0.242 90 T C 1.568 176.309 174.700 0.067 0.000 1.042 90 T CA 0.918 63.080 62.100 0.103 0.000 1.278 90 T CB 0.760 69.721 68.868 0.154 0.000 0.994 90 T HN 1.383 nan 8.240 nan 0.000 0.594 91 A N 1.811 124.626 122.820 -0.008 0.000 1.948 91 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 91 A C 2.568 180.081 177.584 -0.118 0.000 1.177 91 A CA 2.133 54.087 52.037 -0.138 0.000 0.636 91 A CB -1.185 17.598 19.000 -0.360 0.000 0.815 91 A HN 0.801 nan 8.150 nan 0.000 0.449 92 S N -1.219 114.417 115.700 -0.106 0.000 2.441 92 S HA -0.162 4.308 4.470 -0.000 0.000 0.242 92 S C 1.525 176.053 174.600 -0.120 0.000 1.018 92 S CA 1.793 59.889 58.200 -0.174 0.000 0.988 92 S CB -0.403 62.701 63.200 -0.160 0.000 0.778 92 S HN 0.438 nan 8.310 nan 0.000 0.498 93 M N 0.713 120.343 119.600 0.050 0.000 2.371 93 M HA 0.249 4.729 4.480 -0.000 0.000 0.246 93 M C 1.156 177.600 176.300 0.240 0.000 1.103 93 M CA 0.248 55.681 55.300 0.223 0.000 1.010 93 M CB -0.640 32.099 32.600 0.231 0.000 1.457 93 M HN 0.240 nan 8.290 nan 0.000 0.486 94 D N 1.196 121.690 120.400 0.156 0.000 2.219 94 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 94 D C 1.349 177.787 176.300 0.231 0.000 0.970 94 D CA 1.604 55.737 54.000 0.223 0.000 0.851 94 D CB 0.225 41.174 40.800 0.247 0.000 0.943 94 D HN 0.540 nan 8.370 nan 0.000 0.488 95 G N -0.266 108.646 108.800 0.186 0.000 2.182 95 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 95 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 95 G C -0.079 174.801 174.900 -0.033 0.000 1.042 95 G CA 0.297 45.495 45.100 0.164 0.000 0.775 95 G HN 0.299 nan 8.290 nan 0.000 0.501 96 V N 2.141 121.952 119.914 -0.171 0.000 2.313 96 V HA 0.419 4.539 4.120 -0.000 0.000 0.278 96 V C -1.526 174.443 176.094 -0.207 0.000 1.017 96 V CA -1.814 60.285 62.300 -0.336 0.000 0.823 96 V CB 1.673 33.133 31.823 -0.606 0.000 1.010 96 V HN 0.215 nan 8.190 nan 0.000 0.443 97 P HA 0.113 nan 4.420 nan 0.000 0.265 97 P C 0.357 177.635 177.300 -0.035 0.000 1.193 97 P CA 0.410 63.439 63.100 -0.118 0.000 0.765 97 P CB 0.161 31.867 31.700 0.011 0.000 0.823 98 F N -0.878 119.032 119.950 -0.066 0.000 2.935 98 F HA -0.256 4.271 4.527 -0.000 0.000 0.317 98 F C 1.255 176.983 175.800 -0.121 0.000 0.699 98 F CA 0.441 58.407 58.000 -0.057 0.000 1.127 98 F CB -1.563 37.444 39.000 0.012 0.000 1.491 98 F HN 0.286 nan 8.300 nan 0.000 0.337 99 L N -2.465 118.677 121.223 -0.135 0.000 2.519 99 L HA 0.137 4.477 4.340 -0.000 0.000 0.194 99 L C 1.893 178.632 176.870 -0.219 0.000 1.072 99 L CA 1.676 56.374 54.840 -0.236 0.000 0.845 99 L CB -0.446 41.347 42.059 -0.443 0.000 1.138 99 L HN 0.129 nan 8.230 nan 0.000 0.487 100 T N -0.789 113.625 114.554 -0.233 0.000 2.955 100 T HA 0.150 4.500 4.350 -0.000 0.000 0.251 100 T C 0.160 174.720 174.700 -0.233 0.000 1.002 100 T CA -0.042 61.923 62.100 -0.225 0.000 0.970 100 T CB 0.928 69.679 68.868 -0.195 0.000 1.091 100 T HN 0.392 nan 8.240 nan 0.000 0.495 101 Q N -0.115 119.542 119.800 -0.238 0.000 2.687 101 Q HA 0.538 4.878 4.340 -0.000 0.000 0.295 101 Q C -0.982 174.820 176.000 -0.331 0.000 0.920 101 Q CA -1.203 54.443 55.803 -0.261 0.000 0.766 101 Q CB 0.642 29.253 28.738 -0.213 0.000 1.467 101 Q HN 0.328 nan 8.270 nan 0.000 0.415 102 c N -1.339 117.062 118.600 -0.332 0.000 2.362 102 c HA 0.793 5.363 4.570 -0.000 0.000 0.363 102 c C -2.243 171.673 174.090 -0.290 0.000 1.220 102 c CA -1.694 54.340 56.329 -0.492 0.000 2.379 102 c CB 0.122 42.409 42.510 -0.372 0.000 2.351 102 c HN 0.661 nan 8.230 nan 0.000 0.582 103 P HA 0.293 nan 4.420 nan 0.000 0.271 103 P C -0.588 176.718 177.300 0.009 0.000 1.218 103 P CA 0.006 63.074 63.100 -0.054 0.000 0.780 103 P CB 0.238 31.956 31.700 0.031 0.000 0.901 104 I N 1.422 122.033 120.570 0.069 0.000 2.363 104 I HA 0.236 4.406 4.170 -0.000 0.000 0.292 104 I C 0.948 177.125 176.117 0.100 0.000 1.075 104 I CA -0.311 61.044 61.300 0.092 0.000 1.333 104 I CB 0.154 38.237 38.000 0.139 0.000 1.415 104 I HN 0.313 nan 8.210 nan 0.000 0.502 105 A N 8.800 131.671 122.820 0.084 0.000 2.386 105 A HA 0.466 4.786 4.320 -0.000 0.000 0.248 105 A C -2.306 175.338 177.584 0.100 0.000 1.082 105 A CA -1.360 50.730 52.037 0.089 0.000 0.789 105 A CB -0.321 18.723 19.000 0.073 0.000 1.025 105 A HN 0.433 nan 8.150 nan 0.000 0.490 106 P HA 0.175 nan 4.420 nan 0.000 0.260 106 P C 1.072 178.429 177.300 0.095 0.000 1.172 106 P CA 2.126 65.292 63.100 0.110 0.000 0.760 106 P CB 0.468 32.233 31.700 0.108 0.000 0.773 107 G N 1.898 110.758 108.800 0.100 0.000 2.258 107 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.233 107 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.233 107 G C 0.480 175.431 174.900 0.085 0.000 1.006 107 G CA 0.006 45.158 45.100 0.086 0.000 0.620 107 G HN 0.578 nan 8.290 nan 0.000 0.511 108 S N 0.605 116.359 115.700 0.090 0.000 2.617 108 S HA 0.644 5.114 4.470 -0.000 0.000 0.269 108 S C 0.074 174.739 174.600 0.108 0.000 1.292 108 S CA 0.501 58.752 58.200 0.085 0.000 1.010 108 S CB 1.565 64.810 63.200 0.074 0.000 0.944 108 S HN 0.488 nan 8.310 nan 0.000 0.536 109 T N 2.515 117.130 114.554 0.101 0.000 2.847 109 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 109 T C -0.506 174.255 174.700 0.101 0.000 0.998 109 T CA -0.396 61.785 62.100 0.135 0.000 0.967 109 T CB 0.860 69.816 68.868 0.146 0.000 0.954 109 T HN 0.580 nan 8.240 nan 0.000 0.441 110 M N 4.510 124.166 119.600 0.093 0.000 2.300 110 M HA 0.668 5.148 4.480 -0.000 0.000 0.348 110 M C -1.306 174.924 176.300 -0.116 0.000 1.151 110 M CA -1.033 54.237 55.300 -0.050 0.000 1.046 110 M CB 0.878 33.414 32.600 -0.107 0.000 1.647 110 M HN 0.484 nan 8.290 nan 0.000 0.451 111 L N 6.166 127.218 121.223 -0.285 0.000 2.257 111 L HA 0.429 4.769 4.340 -0.000 0.000 0.290 111 L C -1.955 174.706 176.870 -0.347 0.000 1.044 111 L CA 0.058 54.671 54.840 -0.378 0.000 0.810 111 L CB 0.450 42.223 42.059 -0.477 0.000 1.193 111 L HN 0.642 nan 8.230 nan 0.000 0.425 112 Y N 4.706 124.994 120.300 -0.020 0.000 2.404 112 Y HA 0.412 4.962 4.550 -0.000 0.000 0.344 112 Y C 0.369 176.299 175.900 0.050 0.000 0.970 112 Y CA -0.172 58.027 58.100 0.164 0.000 1.180 112 Y CB 0.748 39.423 38.460 0.358 0.000 1.138 112 Y HN 0.615 nan 8.280 nan 0.000 0.510 113 N N 5.824 124.653 118.700 0.214 0.000 2.540 113 N HA 0.331 5.071 4.740 -0.000 0.000 0.275 113 N C -1.735 173.876 175.510 0.169 0.000 1.053 113 N CA -0.572 52.497 53.050 0.032 0.000 0.876 113 N CB 0.483 38.939 38.487 -0.052 0.000 1.284 113 N HN 0.486 nan 8.380 nan 0.000 0.518 114 F N -0.553 119.375 119.950 -0.038 0.000 2.668 114 F HA 0.683 5.210 4.527 -0.000 0.000 0.309 114 F C -0.402 175.383 175.800 -0.026 0.000 1.117 114 F CA -0.910 57.075 58.000 -0.025 0.000 0.951 114 F CB 0.667 39.636 39.000 -0.052 0.000 1.323 114 F HN 0.023 nan 8.300 nan 0.000 0.451 115 T N -0.153 114.500 114.554 0.165 0.000 2.923 115 T HA 0.627 4.977 4.350 -0.000 0.000 0.281 115 T C -0.787 174.024 174.700 0.184 0.000 0.995 115 T CA -0.843 61.306 62.100 0.080 0.000 0.985 115 T CB 2.003 70.913 68.868 0.070 0.000 1.114 115 T HN 0.643 nan 8.240 nan 0.000 0.548 116 V N 1.381 121.351 119.914 0.093 0.000 2.468 116 V HA 0.200 4.320 4.120 -0.000 0.000 0.256 116 V C -0.032 176.061 176.094 -0.001 0.000 0.998 116 V CA -0.308 62.039 62.300 0.079 0.000 1.114 116 V CB 0.421 32.306 31.823 0.103 0.000 1.378 116 V HN 0.874 nan 8.190 nan 0.000 0.573 117 D N 0.972 121.345 120.400 -0.046 0.000 2.333 117 D HA 0.030 4.670 4.640 -0.000 0.000 0.208 117 D C 0.738 176.767 176.300 -0.451 0.000 0.984 117 D CA 1.030 54.843 54.000 -0.312 0.000 0.873 117 D CB 0.634 41.117 40.800 -0.527 0.000 0.935 117 D HN 0.656 nan 8.370 nan 0.000 0.521 118 Y N 0.011 120.347 120.300 0.059 0.000 2.527 118 Y HA 0.254 4.804 4.550 -0.000 0.000 0.247 118 Y C -0.068 175.844 175.900 0.021 0.000 1.138 118 Y CA -0.533 57.642 58.100 0.125 0.000 1.228 118 Y CB 0.483 39.114 38.460 0.284 0.000 1.252 118 Y HN -0.245 nan 8.280 nan 0.000 0.531 119 N N -0.284 118.399 118.700 -0.029 0.000 2.269 119 N HA 0.647 5.387 4.740 -0.000 0.000 0.304 119 N C -1.576 173.935 175.510 0.001 0.000 1.072 119 N CA -0.555 52.393 53.050 -0.170 0.000 0.802 119 N CB 2.841 40.956 38.487 -0.621 0.000 1.348 119 N HN -0.242 nan 8.380 nan 0.000 0.484 120 V N 0.648 120.656 119.914 0.155 0.000 2.925 120 V HA 0.931 5.051 4.120 -0.000 0.000 0.311 120 V C 0.528 176.819 176.094 0.328 0.000 1.104 120 V CA 0.176 62.602 62.300 0.210 0.000 0.954 120 V CB 1.362 33.276 31.823 0.151 0.000 1.022 120 V HN 0.957 nan 8.190 nan 0.000 0.427 121 G N 3.781 112.741 108.800 0.266 0.000 2.408 121 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.204 121 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.204 121 G C -0.259 174.669 174.900 0.048 0.000 1.186 121 G CA -0.152 45.001 45.100 0.088 0.000 1.139 121 G HN 0.829 nan 8.290 nan 0.000 0.563 122 T N 1.510 115.901 114.554 -0.272 0.000 2.743 122 T HA 0.692 5.042 4.350 -0.000 0.000 0.292 122 T C -0.882 173.510 174.700 -0.513 0.000 0.972 122 T CA 0.252 62.204 62.100 -0.247 0.000 0.967 122 T CB 0.788 69.516 68.868 -0.233 0.000 0.926 122 T HN 0.510 nan 8.240 nan 0.000 0.459 123 Y N 1.129 121.503 120.300 0.123 0.000 2.698 123 Y HA 0.793 5.343 4.550 -0.000 0.000 0.332 123 Y C -0.492 175.608 175.900 0.333 0.000 1.119 123 Y CA -1.308 56.900 58.100 0.180 0.000 1.109 123 Y CB 1.496 39.995 38.460 0.066 0.000 1.308 123 Y HN 0.699 nan 8.280 nan 0.000 0.499 124 W N 0.458 121.845 121.300 0.145 0.000 3.042 124 W HA 0.615 5.275 4.660 -0.000 0.000 0.342 124 W C -2.332 174.234 176.519 0.078 0.000 1.240 124 W CA -1.940 55.448 57.345 0.072 0.000 1.166 124 W CB 0.385 29.744 29.460 -0.167 0.000 1.469 124 W HN 0.601 nan 8.180 nan 0.000 0.579 125 Y N 0.620 120.907 120.300 -0.021 0.000 2.446 125 Y HA 0.765 5.315 4.550 -0.000 0.000 0.345 125 Y C -0.836 174.785 175.900 -0.464 0.000 0.984 125 Y CA -1.238 56.595 58.100 -0.445 0.000 1.058 125 Y CB 1.528 39.864 38.460 -0.206 0.000 1.220 125 Y HN 0.655 nan 8.280 nan 0.000 0.455 126 H N -0.680 118.019 119.070 -0.618 0.000 3.016 126 H HA 0.553 5.109 4.556 -0.000 0.000 0.362 126 H C -0.961 174.170 175.328 -0.328 0.000 1.233 126 H CA -1.180 54.530 56.048 -0.563 0.000 1.124 126 H CB 1.183 30.359 29.762 -0.977 0.000 1.850 126 H HN 0.767 nan 8.280 nan 0.000 0.549 127 S N 0.091 115.756 115.700 -0.058 0.000 2.558 127 S HA -0.058 4.412 4.470 -0.000 0.000 0.288 127 S C 0.183 174.912 174.600 0.215 0.000 1.318 127 S CA -0.223 57.992 58.200 0.025 0.000 1.056 127 S CB -0.008 63.205 63.200 0.020 0.000 0.853 127 S HN 0.851 nan 8.310 nan 0.000 0.505 128 H N 3.224 122.351 119.070 0.095 0.000 2.528 128 H HA 0.252 4.808 4.556 -0.000 0.000 0.282 128 H C 0.726 176.123 175.328 0.115 0.000 1.097 128 H CA 0.009 56.146 56.048 0.149 0.000 1.121 128 H CB 0.019 29.831 29.762 0.082 0.000 1.590 128 H HN 0.596 nan 8.280 nan 0.000 0.553 129 T N -0.302 114.352 114.554 0.166 0.000 4.022 129 T HA -0.019 4.331 4.350 -0.000 0.000 0.347 129 T C 1.263 176.008 174.700 0.074 0.000 1.227 129 T CA -0.346 61.837 62.100 0.138 0.000 0.898 129 T CB 0.598 69.543 68.868 0.129 0.000 2.033 129 T HN 0.267 nan 8.240 nan 0.000 0.525 130 D N 0.595 121.031 120.400 0.059 0.000 2.049 130 D HA -0.012 4.628 4.640 -0.000 0.000 0.233 130 D C 1.788 178.025 176.300 -0.105 0.000 0.994 130 D CA 1.307 55.316 54.000 0.015 0.000 0.925 130 D CB -0.478 40.349 40.800 0.045 0.000 1.146 130 D HN 0.612 nan 8.370 nan 0.000 0.472 131 G N -0.520 108.189 108.800 -0.151 0.000 3.192 131 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.239 131 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.239 131 G C 1.179 175.909 174.900 -0.284 0.000 1.084 131 G CA 0.004 44.892 45.100 -0.354 0.000 0.784 131 G HN 0.187 nan 8.290 nan 0.000 0.540 132 Q N 0.280 120.018 119.800 -0.103 0.000 2.129 132 Q HA -0.384 3.956 4.340 -0.000 0.000 0.218 132 Q C 2.103 178.072 176.000 -0.051 0.000 1.040 132 Q CA 2.982 58.767 55.803 -0.030 0.000 0.913 132 Q CB -0.482 28.269 28.738 0.021 0.000 1.030 132 Q HN 0.772 nan 8.270 nan 0.000 0.419 133 Y N -0.501 119.734 120.300 -0.108 0.000 2.274 133 Y HA -0.080 4.470 4.550 -0.000 0.000 0.290 133 Y C 1.728 177.603 175.900 -0.041 0.000 1.145 133 Y CA 1.354 59.397 58.100 -0.094 0.000 1.203 133 Y CB -0.452 37.976 38.460 -0.055 0.000 0.984 133 Y HN 0.083 nan 8.280 nan 0.000 0.533 134 E N 0.685 120.610 120.200 -0.459 0.000 2.160 134 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 134 E C 0.719 177.314 176.600 -0.009 0.000 0.991 134 E CA 1.406 57.653 56.400 -0.256 0.000 0.810 134 E CB -0.281 29.158 29.700 -0.435 0.000 0.742 134 E HN 0.653 nan 8.360 nan 0.000 0.466 135 D N -1.020 119.379 120.400 -0.002 0.000 2.325 135 D HA 0.102 4.742 4.640 -0.000 0.000 0.234 135 D C 1.101 177.546 176.300 0.242 0.000 1.122 135 D CA 0.710 54.780 54.000 0.118 0.000 0.850 135 D CB 0.569 41.475 40.800 0.177 0.000 0.921 135 D HN 0.332 nan 8.370 nan 0.000 0.513 136 G N 0.721 109.701 108.800 0.300 0.000 2.255 136 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.196 136 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.196 136 G C 0.461 175.414 174.900 0.089 0.000 0.998 136 G CA -0.085 45.298 45.100 0.471 0.000 0.656 136 G HN 0.323 nan 8.290 nan 0.000 0.490 137 M N 2.194 121.677 119.600 -0.195 0.000 3.011 137 M HA 0.459 4.939 4.480 -0.000 0.000 0.292 137 M C 0.143 176.063 176.300 -0.634 0.000 1.440 137 M CA 0.184 54.985 55.300 -0.833 0.000 1.552 137 M CB -0.480 31.731 32.600 -0.649 0.000 1.187 137 M HN 0.352 nan 8.290 nan 0.000 0.520 138 K N 2.144 122.143 120.400 -0.668 0.000 2.610 138 K HA 0.836 5.156 4.320 -0.000 0.000 0.278 138 K C -1.339 174.889 176.600 -0.621 0.000 0.964 138 K CA -1.118 54.862 56.287 -0.512 0.000 0.859 138 K CB 1.323 33.790 32.500 -0.054 0.000 1.434 138 K HN 0.444 nan 8.250 nan 0.000 0.410 139 G N 1.317 109.564 108.800 -0.922 0.000 2.601 139 G HA2 0.432 4.392 3.960 -0.000 0.000 0.291 139 G HA3 0.432 4.392 3.960 -0.000 0.000 0.291 139 G C -1.523 173.178 174.900 -0.331 0.000 1.456 139 G CA -1.158 43.541 45.100 -0.668 0.000 0.804 139 G HN 0.391 nan 8.290 nan 0.000 0.499 140 L N 0.047 121.271 121.223 0.001 0.000 2.375 140 L HA 0.610 4.950 4.340 -0.000 0.000 0.271 140 L C -0.815 176.275 176.870 0.367 0.000 1.107 140 L CA -0.648 54.288 54.840 0.159 0.000 0.806 140 L CB 1.417 43.490 42.059 0.024 0.000 1.146 140 L HN 0.447 nan 8.230 nan 0.000 0.447 141 F N 3.261 123.368 119.950 0.262 0.000 2.577 141 F HA 0.507 5.034 4.527 -0.000 0.000 0.344 141 F C -0.700 175.225 175.800 0.208 0.000 1.145 141 F CA -0.553 57.605 58.000 0.264 0.000 0.996 141 F CB 0.982 40.185 39.000 0.338 0.000 1.248 141 F HN 0.131 nan 8.300 nan 0.000 0.447 142 I N 6.699 127.358 120.570 0.148 0.000 2.354 142 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 142 I C -0.583 175.607 176.117 0.122 0.000 0.989 142 I CA -0.265 61.126 61.300 0.152 0.000 1.188 142 I CB 1.512 39.522 38.000 0.017 0.000 1.342 142 I HN 0.362 nan 8.210 nan 0.000 0.457 143 I N 6.731 127.441 120.570 0.234 0.000 2.362 143 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 143 I C -0.351 175.826 176.117 0.100 0.000 0.994 143 I CA -0.904 60.494 61.300 0.164 0.000 1.158 143 I CB 1.020 39.149 38.000 0.215 0.000 1.315 143 I HN 0.397 nan 8.210 nan 0.000 0.451 144 K N 5.162 125.594 120.400 0.053 0.000 2.144 144 K HA 0.390 4.710 4.320 -0.000 0.000 0.270 144 K C -0.614 176.022 176.600 0.059 0.000 1.005 144 K CA -0.635 55.676 56.287 0.039 0.000 0.932 144 K CB 0.783 33.300 32.500 0.027 0.000 1.021 144 K HN 0.589 nan 8.250 nan 0.000 0.462 145 D N 0.350 120.794 120.400 0.073 0.000 2.738 145 D HA 0.155 4.795 4.640 -0.000 0.000 0.237 145 D C -0.563 175.792 176.300 0.092 0.000 1.123 145 D CA -0.536 53.515 54.000 0.084 0.000 0.856 145 D CB 1.712 42.572 40.800 0.099 0.000 1.552 145 D HN 0.316 nan 8.370 nan 0.000 0.480 146 D N 0.196 120.635 120.400 0.065 0.000 2.310 146 D HA -0.088 4.552 4.640 -0.000 0.000 0.212 146 D C 1.109 177.444 176.300 0.058 0.000 0.965 146 D CA 1.153 55.185 54.000 0.054 0.000 0.879 146 D CB 0.139 40.957 40.800 0.031 0.000 0.921 146 D HN 0.432 nan 8.370 nan 0.000 0.510 147 S N -0.411 115.329 115.700 0.067 0.000 2.506 147 S HA 0.168 4.638 4.470 -0.000 0.000 0.245 147 S C 0.067 174.676 174.600 0.014 0.000 1.088 147 S CA -0.867 57.352 58.200 0.033 0.000 1.099 147 S CB -0.700 62.518 63.200 0.030 0.000 0.805 147 S HN 0.062 nan 8.310 nan 0.000 0.461 148 F N 3.630 123.530 119.950 -0.082 0.000 2.504 148 F HA 0.407 4.934 4.527 -0.000 0.000 0.369 148 F C -1.720 173.921 175.800 -0.266 0.000 1.082 148 F CA -2.032 55.885 58.000 -0.139 0.000 1.216 148 F CB 0.945 39.946 39.000 0.001 0.000 1.108 148 F HN 0.083 nan 8.300 nan 0.000 0.554 149 P HA -0.071 nan 4.420 nan 0.000 0.223 149 P C -1.123 175.603 177.300 -0.957 0.000 1.151 149 P CA 1.286 63.674 63.100 -1.186 0.000 0.787 149 P CB -0.016 30.499 31.700 -1.975 0.000 0.788 150 Y N -0.666 119.286 120.300 -0.581 0.000 2.457 150 Y HA 0.412 4.962 4.550 -0.000 0.000 0.333 150 Y C 0.594 176.604 175.900 0.182 0.000 1.119 150 Y CA -1.472 56.555 58.100 -0.122 0.000 1.143 150 Y CB 0.736 39.164 38.460 -0.052 0.000 1.230 150 Y HN -0.315 nan 8.280 nan 0.000 0.469 151 D N 1.195 121.759 120.400 0.274 0.000 2.210 151 D HA 0.310 4.950 4.640 -0.000 0.000 0.249 151 D C -1.055 175.387 176.300 0.235 0.000 1.062 151 D CA 0.104 54.175 54.000 0.118 0.000 0.891 151 D CB 0.953 41.781 40.800 0.046 0.000 1.186 151 D HN 0.498 nan 8.370 nan 0.000 0.432 152 Y N -1.648 118.728 120.300 0.126 0.000 2.624 152 Y HA 0.393 4.943 4.550 -0.000 0.000 0.334 152 Y C -0.121 175.788 175.900 0.015 0.000 1.155 152 Y CA -0.925 57.224 58.100 0.081 0.000 1.046 152 Y CB 0.964 39.484 38.460 0.099 0.000 1.316 152 Y HN 0.069 nan 8.280 nan 0.000 0.457 153 D N 0.385 120.864 120.400 0.132 0.000 2.262 153 D HA 0.062 4.702 4.640 -0.000 0.000 0.212 153 D C -0.140 176.163 176.300 0.004 0.000 0.964 153 D CA 1.093 55.088 54.000 -0.009 0.000 0.875 153 D CB 0.683 41.430 40.800 -0.087 0.000 0.996 153 D HN 0.610 nan 8.370 nan 0.000 0.497 154 E N 0.452 120.642 120.200 -0.017 0.000 2.416 154 E HA 0.434 4.784 4.350 -0.000 0.000 0.273 154 E C -0.694 175.975 176.600 0.115 0.000 0.935 154 E CA -0.528 55.867 56.400 -0.009 0.000 0.784 154 E CB 2.501 32.046 29.700 -0.258 0.000 1.301 154 E HN 0.142 nan 8.360 nan 0.000 0.454 155 E N 0.579 120.852 120.200 0.123 0.000 2.366 155 E HA 0.732 5.082 4.350 -0.000 0.000 0.278 155 E C -0.723 175.893 176.600 0.027 0.000 0.923 155 E CA -0.913 55.491 56.400 0.006 0.000 0.761 155 E CB 2.007 31.610 29.700 -0.162 0.000 1.231 155 E HN 0.447 nan 8.360 nan 0.000 0.443 156 L N -1.636 119.548 121.223 -0.065 0.000 2.801 156 L HA 0.851 5.191 4.340 -0.000 0.000 0.264 156 L C -1.293 175.435 176.870 -0.238 0.000 1.086 156 L CA -0.884 53.872 54.840 -0.140 0.000 0.920 156 L CB 2.039 43.989 42.059 -0.182 0.000 1.529 156 L HN 0.571 nan 8.230 nan 0.000 0.399 157 S N 0.321 115.862 115.700 -0.266 0.000 2.634 157 S HA 0.845 5.315 4.470 -0.000 0.000 0.296 157 S C -0.976 173.408 174.600 -0.361 0.000 1.104 157 S CA -0.723 57.295 58.200 -0.303 0.000 0.920 157 S CB 1.922 64.977 63.200 -0.242 0.000 1.111 157 S HN 0.552 nan 8.310 nan 0.000 0.493 158 L N 1.527 122.514 121.223 -0.392 0.000 2.381 158 L HA 0.508 4.848 4.340 -0.000 0.000 0.274 158 L C -0.626 176.017 176.870 -0.378 0.000 0.988 158 L CA -0.565 54.043 54.840 -0.387 0.000 0.824 158 L CB 2.114 43.912 42.059 -0.436 0.000 1.263 158 L HN 0.534 nan 8.230 nan 0.000 0.410 159 S N 4.592 120.094 115.700 -0.329 0.000 2.466 159 S HA 0.499 4.968 4.470 -0.000 0.000 0.313 159 S C -0.034 174.375 174.600 -0.319 0.000 1.078 159 S CA -0.600 57.393 58.200 -0.345 0.000 1.115 159 S CB 0.094 63.111 63.200 -0.304 0.000 1.006 159 S HN 0.336 nan 8.310 nan 0.000 0.487 160 L N 2.556 123.566 121.223 -0.355 0.000 2.397 160 L HA 0.646 4.985 4.340 -0.000 0.000 0.271 160 L C 0.622 177.318 176.870 -0.289 0.000 1.148 160 L CA -0.229 54.428 54.840 -0.304 0.000 0.825 160 L CB 0.902 42.767 42.059 -0.322 0.000 1.117 160 L HN 0.550 nan 8.230 nan 0.000 0.456 161 S N 0.557 116.125 115.700 -0.221 0.000 2.611 161 S HA 0.354 4.824 4.470 -0.000 0.000 0.268 161 S C -1.406 173.121 174.600 -0.123 0.000 1.156 161 S CA -0.851 57.259 58.200 -0.150 0.000 0.817 161 S CB 1.704 64.874 63.200 -0.050 0.000 1.122 161 S HN 0.711 nan 8.310 nan 0.000 0.466 162 E N 1.756 121.921 120.200 -0.060 0.000 2.250 162 E HA 0.335 4.685 4.350 -0.000 0.000 0.265 162 E C -1.182 175.565 176.600 0.246 0.000 1.033 162 E CA -0.690 55.697 56.400 -0.022 0.000 0.888 162 E CB 1.105 30.752 29.700 -0.089 0.000 1.151 162 E HN 0.719 nan 8.360 nan 0.000 0.412 163 W N 2.025 123.305 121.300 -0.032 0.000 2.839 163 W HA 0.399 5.059 4.660 -0.000 0.000 0.334 163 W C -1.798 174.737 176.519 0.025 0.000 1.064 163 W CA -0.784 56.605 57.345 0.073 0.000 1.236 163 W CB 1.529 31.046 29.460 0.093 0.000 1.405 163 W HN 0.498 nan 8.180 nan 0.000 0.478 164 Y N 2.971 122.930 120.300 -0.568 0.000 2.457 164 Y HA 0.230 4.780 4.550 -0.000 0.000 0.333 164 Y C 1.451 177.095 175.900 -0.427 0.000 1.119 164 Y CA -0.200 57.682 58.100 -0.362 0.000 1.143 164 Y CB 1.563 39.885 38.460 -0.231 0.000 1.230 164 Y HN 0.441 nan 8.280 nan 0.000 0.469 165 H N -0.292 118.711 119.070 -0.112 0.000 2.563 165 H HA 0.105 4.661 4.556 -0.000 0.000 0.264 165 H C -0.735 174.573 175.328 -0.033 0.000 0.957 165 H CA 0.146 56.162 56.048 -0.052 0.000 1.173 165 H CB 0.608 30.389 29.762 0.031 0.000 1.420 165 H HN 0.693 nan 8.280 nan 0.000 0.551 166 D N 0.394 120.854 120.400 0.099 0.000 2.252 166 D HA 0.243 4.883 4.640 -0.000 0.000 0.245 166 D C -0.714 175.562 176.300 -0.040 0.000 1.009 166 D CA -0.658 53.359 54.000 0.028 0.000 0.870 166 D CB 2.119 42.941 40.800 0.038 0.000 1.251 166 D HN -0.068 nan 8.370 nan 0.000 0.460 167 L N 1.318 122.506 121.223 -0.059 0.000 2.467 167 L HA 0.036 4.376 4.340 -0.000 0.000 0.270 167 L C 1.466 178.304 176.870 -0.054 0.000 1.205 167 L CA 0.065 54.868 54.840 -0.061 0.000 0.828 167 L CB 0.409 42.411 42.059 -0.094 0.000 1.101 167 L HN 0.386 nan 8.230 nan 0.000 0.479 168 V N 0.651 120.532 119.914 -0.055 0.000 2.343 168 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 168 V C 2.183 178.292 176.094 0.025 0.000 1.051 168 V CA 2.229 64.503 62.300 -0.044 0.000 1.036 168 V CB -0.841 30.879 31.823 -0.170 0.000 0.654 168 V HN 1.046 nan 8.190 nan 0.000 0.451 169 T N -0.171 114.394 114.554 0.019 0.000 2.685 169 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 169 T C 1.656 176.368 174.700 0.020 0.000 1.034 169 T CA 2.032 64.147 62.100 0.026 0.000 1.149 169 T CB -0.388 68.485 68.868 0.007 0.000 0.860 169 T HN 0.532 nan 8.240 nan 0.000 0.449 170 D N 0.651 121.048 120.400 -0.006 0.000 2.123 170 D HA 0.039 4.679 4.640 -0.000 0.000 0.200 170 D C 2.212 178.517 176.300 0.008 0.000 0.976 170 D CA 0.671 54.668 54.000 -0.006 0.000 0.831 170 D CB -0.326 40.459 40.800 -0.025 0.000 0.974 170 D HN 0.346 nan 8.370 nan 0.000 0.469 171 L N 0.749 121.974 121.223 0.003 0.000 2.083 171 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 171 L C 2.465 179.356 176.870 0.034 0.000 1.083 171 L CA 1.090 55.911 54.840 -0.032 0.000 0.752 171 L CB -0.799 41.184 42.059 -0.127 0.000 0.899 171 L HN -0.007 nan 8.230 nan 0.000 0.433 172 T N -0.336 114.297 114.554 0.132 0.000 2.778 172 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 172 T C 1.880 176.660 174.700 0.134 0.000 1.050 172 T CA 1.344 63.573 62.100 0.216 0.000 1.137 172 T CB -0.139 68.843 68.868 0.189 0.000 0.860 172 T HN 0.314 nan 8.240 nan 0.000 0.468 173 K N 1.250 121.696 120.400 0.077 0.000 2.097 173 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 173 K C 2.579 179.209 176.600 0.051 0.000 1.049 173 K CA 1.689 58.007 56.287 0.051 0.000 0.933 173 K CB -0.081 32.442 32.500 0.038 0.000 0.717 173 K HN 0.439 nan 8.250 nan 0.000 0.442 174 S N -0.452 115.282 115.700 0.055 0.000 2.517 174 S HA 0.032 4.501 4.470 -0.000 0.000 0.214 174 S C 1.570 176.207 174.600 0.062 0.000 0.991 174 S CA -0.345 57.889 58.200 0.058 0.000 0.906 174 S CB -0.144 63.080 63.200 0.041 0.000 0.789 174 S HN 0.238 nan 8.310 nan 0.000 0.513 175 F N 2.194 122.075 119.950 -0.115 0.000 2.118 175 F HA 0.456 4.983 4.527 -0.000 0.000 0.293 175 F C 1.000 176.726 175.800 -0.124 0.000 1.102 175 F CA 0.438 58.337 58.000 -0.168 0.000 1.247 175 F CB -0.181 38.673 39.000 -0.242 0.000 1.017 175 F HN 0.175 nan 8.300 nan 0.000 0.475 176 M N 1.464 120.879 119.600 -0.309 0.000 3.176 176 M HA 0.241 4.721 4.480 -0.000 0.000 0.284 176 M C -0.645 175.501 176.300 -0.258 0.000 1.392 176 M CA 0.082 55.118 55.300 -0.440 0.000 1.520 176 M CB -0.052 32.382 32.600 -0.275 0.000 1.100 176 M HN 0.096 nan 8.290 nan 0.000 0.555 177 S N 0.668 116.210 115.700 -0.262 0.000 2.556 177 S HA 0.486 4.956 4.470 -0.000 0.000 0.271 177 S C 0.816 175.270 174.600 -0.244 0.000 1.135 177 S CA -0.788 57.305 58.200 -0.178 0.000 0.858 177 S CB 1.109 64.285 63.200 -0.041 0.000 1.114 177 S HN 0.447 nan 8.310 nan 0.000 0.468 178 V N 1.954 121.648 119.914 -0.367 0.000 2.913 178 V HA 0.048 4.167 4.120 -0.000 0.000 0.260 178 V C 1.105 176.927 176.094 -0.453 0.000 1.098 178 V CA 1.231 63.266 62.300 -0.443 0.000 1.121 178 V CB -1.576 29.911 31.823 -0.560 0.000 0.714 178 V HN 0.867 nan 8.190 nan 0.000 0.487 179 Y N 0.764 121.036 120.300 -0.046 0.000 2.462 179 Y HA 0.389 4.939 4.550 -0.000 0.000 0.293 179 Y C 1.199 177.073 175.900 -0.043 0.000 1.195 179 Y CA 0.086 58.165 58.100 -0.036 0.000 1.276 179 Y CB -0.228 38.216 38.460 -0.028 0.000 1.082 179 Y HN 0.361 nan 8.280 nan 0.000 0.514 180 N N 0.285 118.981 118.700 -0.006 0.000 2.765 180 N HA 0.233 4.973 4.740 -0.000 0.000 0.277 180 N C -2.479 172.983 175.510 -0.079 0.000 1.750 180 N CA -2.095 50.935 53.050 -0.032 0.000 0.827 180 N CB 0.717 39.167 38.487 -0.061 0.000 1.200 180 N HN -0.127 nan 8.380 nan 0.000 0.494 181 P HA 0.028 nan 4.420 nan 0.000 0.225 181 P C 0.860 178.141 177.300 -0.030 0.000 1.156 181 P CA 0.929 64.001 63.100 -0.047 0.000 0.787 181 P CB 0.377 32.063 31.700 -0.023 0.000 0.802 182 T N -1.502 113.044 114.554 -0.013 0.000 3.055 182 T HA 0.138 4.488 4.350 -0.000 0.000 0.265 182 T C 1.525 176.237 174.700 0.019 0.000 1.111 182 T CA 1.152 63.259 62.100 0.012 0.000 1.118 182 T CB -0.866 68.019 68.868 0.029 0.000 0.909 182 T HN 0.278 nan 8.240 nan 0.000 0.501 183 G N 1.644 110.430 108.800 -0.023 0.000 2.153 183 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.252 183 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.252 183 G C 0.265 175.263 174.900 0.163 0.000 0.994 183 G CA -0.039 45.048 45.100 -0.023 0.000 0.698 183 G HN 0.922 nan 8.290 nan 0.000 0.521 184 A N 0.733 123.627 122.820 0.123 0.000 2.561 184 A HA 0.450 4.770 4.320 -0.000 0.000 0.251 184 A C 0.949 178.615 177.584 0.136 0.000 1.062 184 A CA 0.782 52.892 52.037 0.123 0.000 0.761 184 A CB 0.172 19.209 19.000 0.062 0.000 0.986 184 A HN 0.814 nan 8.150 nan 0.000 0.510 185 E N 4.315 124.490 120.200 -0.041 0.000 2.338 185 E HA 0.293 4.643 4.350 -0.000 0.000 0.272 185 E C -2.537 173.668 176.600 -0.658 0.000 1.029 185 E CA -1.939 54.064 56.400 -0.662 0.000 0.872 185 E CB 0.098 29.282 29.700 -0.860 0.000 1.015 185 E HN 0.458 nan 8.360 nan 0.000 0.417 186 P HA 0.086 nan 4.420 nan 0.000 0.268 186 P C -0.308 176.947 177.300 -0.076 0.000 1.204 186 P CA 0.175 62.951 63.100 -0.541 0.000 0.768 186 P CB 0.473 31.686 31.700 -0.812 0.000 0.842 187 I N 5.692 126.293 120.570 0.052 0.000 2.371 187 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 187 I C -1.647 174.425 176.117 -0.076 0.000 1.028 187 I CA -2.282 59.065 61.300 0.077 0.000 1.345 187 I CB 0.950 38.938 38.000 -0.019 0.000 1.407 187 I HN 0.239 nan 8.210 nan 0.000 0.501 188 P HA 0.140 nan 4.420 nan 0.000 0.274 188 P C -0.510 176.587 177.300 -0.338 0.000 1.256 188 P CA -0.284 62.320 63.100 -0.827 0.000 0.795 188 P CB 0.947 32.319 31.700 -0.546 0.000 1.038 189 Q N -0.521 119.097 119.800 -0.302 0.000 2.392 189 Q HA 0.249 4.589 4.340 -0.000 0.000 0.219 189 Q C 0.015 176.002 176.000 -0.021 0.000 0.895 189 Q CA 0.968 56.630 55.803 -0.236 0.000 0.929 189 Q CB 0.250 28.633 28.738 -0.592 0.000 1.077 189 Q HN 0.432 nan 8.270 nan 0.000 0.532 190 N N -1.177 117.600 118.700 0.129 0.000 2.859 190 N HA 0.286 5.026 4.740 -0.000 0.000 0.250 190 N C -1.618 173.988 175.510 0.161 0.000 1.341 190 N CA -0.447 52.729 53.050 0.210 0.000 0.881 190 N CB 1.246 39.848 38.487 0.192 0.000 1.516 190 N HN -0.040 nan 8.380 nan 0.000 0.503 191 L N 1.981 123.234 121.223 0.050 0.000 2.350 191 L HA 0.573 4.913 4.340 -0.000 0.000 0.275 191 L C 0.366 177.192 176.870 -0.073 0.000 1.099 191 L CA -0.602 54.151 54.840 -0.145 0.000 0.808 191 L CB 0.541 42.431 42.059 -0.282 0.000 1.149 191 L HN 0.509 nan 8.230 nan 0.000 0.442 192 I N 0.594 121.109 120.570 -0.093 0.000 2.892 192 I HA 0.786 4.956 4.170 -0.000 0.000 0.306 192 I C -0.764 175.261 176.117 -0.153 0.000 1.078 192 I CA -1.010 60.222 61.300 -0.113 0.000 1.032 192 I CB 2.241 40.167 38.000 -0.122 0.000 1.229 192 I HN 0.240 nan 8.210 nan 0.000 0.435 193 V N 0.813 120.629 119.914 -0.163 0.000 2.656 193 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 193 V C -0.043 175.944 176.094 -0.179 0.000 1.051 193 V CA -0.815 61.377 62.300 -0.181 0.000 0.893 193 V CB 1.037 32.755 31.823 -0.174 0.000 0.999 193 V HN 0.924 nan 8.190 nan 0.000 0.426 194 N N 3.306 121.888 118.700 -0.196 0.000 2.701 194 N HA -0.242 4.498 4.740 -0.000 0.000 0.250 194 N C 0.494 175.904 175.510 -0.166 0.000 1.046 194 N CA 1.271 54.209 53.050 -0.185 0.000 0.733 194 N CB -1.142 37.242 38.487 -0.171 0.000 0.973 194 N HN 0.993 nan 8.380 nan 0.000 0.541 195 N N -3.103 115.493 118.700 -0.173 0.000 2.747 195 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 195 N C -0.225 175.184 175.510 -0.168 0.000 1.107 195 N CA 1.651 54.597 53.050 -0.172 0.000 0.707 195 N CB -1.494 36.928 38.487 -0.109 0.000 1.054 195 N HN 0.737 nan 8.380 nan 0.000 0.555 196 T N -3.426 111.031 114.554 -0.162 0.000 2.618 196 T HA 0.749 5.099 4.350 -0.000 0.000 0.293 196 T C 0.088 174.708 174.700 -0.133 0.000 1.093 196 T CA -0.888 61.127 62.100 -0.141 0.000 1.061 196 T CB 2.120 70.934 68.868 -0.090 0.000 1.498 196 T HN -0.018 nan 8.240 nan 0.000 0.494 197 M N 1.286 120.827 119.600 -0.099 0.000 2.761 197 M HA 0.427 4.907 4.480 -0.000 0.000 0.305 197 M C -0.756 175.482 176.300 -0.102 0.000 1.235 197 M CA -0.716 54.526 55.300 -0.096 0.000 0.850 197 M CB 1.534 34.102 32.600 -0.054 0.000 1.744 197 M HN 1.002 nan 8.290 nan 0.000 0.480 198 N N 0.194 118.794 118.700 -0.168 0.000 2.678 198 N HA -0.193 4.547 4.740 -0.000 0.000 0.268 198 N C -1.240 174.153 175.510 -0.194 0.000 1.010 198 N CA 0.137 53.023 53.050 -0.274 0.000 0.784 198 N CB -1.698 36.758 38.487 -0.050 0.000 0.905 198 N HN 0.507 nan 8.380 nan 0.000 0.552 199 L N -0.293 120.786 121.223 -0.240 0.000 2.395 199 L HA 0.520 4.860 4.340 -0.000 0.000 0.269 199 L C 0.152 177.013 176.870 -0.016 0.000 1.133 199 L CA 0.189 54.970 54.840 -0.099 0.000 0.812 199 L CB 1.224 43.213 42.059 -0.117 0.000 1.125 199 L HN 0.342 nan 8.230 nan 0.000 0.452 200 T N 4.085 118.707 114.554 0.113 0.000 2.767 200 T HA 0.278 4.628 4.350 -0.000 0.000 0.284 200 T C -1.490 173.329 174.700 0.199 0.000 0.973 200 T CA 0.144 62.362 62.100 0.197 0.000 0.996 200 T CB 0.361 69.333 68.868 0.173 0.000 0.927 200 T HN 0.548 nan 8.240 nan 0.000 0.456 201 W N 4.749 126.030 121.300 -0.031 0.000 2.393 201 W HA 0.393 5.053 4.660 -0.000 0.000 0.315 201 W C -0.678 175.771 176.519 -0.117 0.000 1.009 201 W CA -1.516 55.770 57.345 -0.099 0.000 1.313 201 W CB 0.491 29.860 29.460 -0.152 0.000 1.269 201 W HN 0.580 nan 8.180 nan 0.000 0.420 202 E N 5.146 125.305 120.200 -0.068 0.000 2.180 202 E HA 0.293 4.643 4.350 -0.000 0.000 0.283 202 E C 0.068 176.384 176.600 -0.473 0.000 1.061 202 E CA -0.334 55.932 56.400 -0.224 0.000 0.861 202 E CB 1.332 30.993 29.700 -0.066 0.000 1.056 202 E HN 0.353 nan 8.360 nan 0.000 0.407 203 V N 0.228 119.739 119.914 -0.671 0.000 3.096 203 V HA 0.429 4.549 4.120 -0.000 0.000 0.319 203 V C -0.347 175.503 176.094 -0.407 0.000 1.103 203 V CA -1.151 60.685 62.300 -0.773 0.000 1.016 203 V CB 2.062 33.067 31.823 -1.364 0.000 1.090 203 V HN 0.456 nan 8.190 nan 0.000 0.449 204 Q N 1.740 121.443 119.800 -0.161 0.000 2.266 204 Q HA 0.536 4.876 4.340 -0.000 0.000 0.261 204 Q C -2.685 173.273 176.000 -0.070 0.000 0.985 204 Q CA -2.074 53.687 55.803 -0.070 0.000 0.873 204 Q CB 2.078 30.826 28.738 0.018 0.000 1.306 204 Q HN 0.638 nan 8.270 nan 0.000 0.447 205 P HA -0.083 nan 4.420 nan 0.000 0.269 205 P C -0.149 177.164 177.300 0.021 0.000 1.215 205 P CA 0.147 63.305 63.100 0.095 0.000 0.780 205 P CB 0.402 32.178 31.700 0.125 0.000 0.898 206 D N -0.365 120.018 120.400 -0.028 0.000 2.735 206 D HA -0.138 4.502 4.640 -0.000 0.000 0.235 206 D C -1.118 175.109 176.300 -0.121 0.000 1.175 206 D CA 1.184 55.114 54.000 -0.117 0.000 0.683 206 D CB -1.452 39.374 40.800 0.043 0.000 1.008 206 D HN 0.306 nan 8.370 nan 0.000 0.416 207 T N 0.983 115.386 114.554 -0.251 0.000 2.916 207 T HA 0.497 4.847 4.350 -0.000 0.000 0.298 207 T C -0.221 174.498 174.700 0.032 0.000 1.031 207 T CA -0.650 61.402 62.100 -0.079 0.000 0.993 207 T CB 1.855 70.648 68.868 -0.125 0.000 1.045 207 T HN -0.024 nan 8.240 nan 0.000 0.454 208 T N 3.378 118.061 114.554 0.215 0.000 2.728 208 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 208 T C -0.879 173.896 174.700 0.126 0.000 0.940 208 T CA -0.179 62.127 62.100 0.344 0.000 1.013 208 T CB -0.110 68.961 68.868 0.338 0.000 0.912 208 T HN 0.360 nan 8.240 nan 0.000 0.484 209 Y N 2.206 122.646 120.300 0.234 0.000 2.330 209 Y HA 0.492 5.042 4.550 -0.000 0.000 0.336 209 Y C 0.072 176.031 175.900 0.097 0.000 1.036 209 Y CA -1.239 56.983 58.100 0.204 0.000 1.125 209 Y CB 1.137 39.792 38.460 0.324 0.000 1.194 209 Y HN 0.446 nan 8.280 nan 0.000 0.469 210 L N 5.401 126.643 121.223 0.031 0.000 2.283 210 L HA 0.384 4.724 4.340 -0.000 0.000 0.287 210 L C -1.078 175.706 176.870 -0.143 0.000 1.073 210 L CA 0.015 54.721 54.840 -0.223 0.000 0.822 210 L CB 0.059 41.594 42.059 -0.873 0.000 1.186 210 L HN 0.634 nan 8.230 nan 0.000 0.436 211 L N 6.218 127.380 121.223 -0.103 0.000 2.294 211 L HA 0.527 4.867 4.340 -0.000 0.000 0.283 211 L C -0.394 176.345 176.870 -0.219 0.000 1.015 211 L CA -0.654 54.075 54.840 -0.184 0.000 0.831 211 L CB 0.554 42.516 42.059 -0.162 0.000 1.217 211 L HN 0.638 nan 8.230 nan 0.000 0.420 212 R N 6.123 126.465 120.500 -0.264 0.000 2.205 212 R HA 0.424 4.764 4.340 -0.000 0.000 0.342 212 R C -0.870 175.236 176.300 -0.323 0.000 1.058 212 R CA -0.237 55.707 56.100 -0.259 0.000 0.904 212 R CB 0.575 30.731 30.300 -0.241 0.000 1.089 212 R HN 0.542 nan 8.270 nan 0.000 0.471 213 I N 3.484 123.854 120.570 -0.333 0.000 2.304 213 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 213 I C -0.351 175.533 176.117 -0.389 0.000 1.018 213 I CA -0.798 60.226 61.300 -0.459 0.000 1.260 213 I CB 1.438 39.056 38.000 -0.637 0.000 1.390 213 I HN 0.199 nan 8.210 nan 0.000 0.475 214 V N 5.395 125.044 119.914 -0.442 0.000 2.487 214 V HA 0.304 4.424 4.120 -0.000 0.000 0.298 214 V C -0.023 175.735 176.094 -0.560 0.000 1.028 214 V CA -0.778 61.223 62.300 -0.499 0.000 0.860 214 V CB 1.847 33.342 31.823 -0.548 0.000 0.991 214 V HN 0.658 nan 8.190 nan 0.000 0.427 215 N N 3.873 122.229 118.700 -0.574 0.000 2.482 215 N HA 0.123 4.863 4.740 -0.000 0.000 0.242 215 N C 0.393 175.428 175.510 -0.791 0.000 1.100 215 N CA -0.280 52.432 53.050 -0.565 0.000 0.946 215 N CB 1.471 39.694 38.487 -0.440 0.000 1.227 215 N HN 0.612 nan 8.380 nan 0.000 0.508 216 V N 1.421 120.858 119.914 -0.795 0.000 3.415 216 V HA 0.481 4.600 4.120 -0.000 0.000 0.325 216 V C 1.172 177.069 176.094 -0.328 0.000 1.313 216 V CA -0.483 61.214 62.300 -1.006 0.000 1.228 216 V CB -0.577 30.771 31.823 -0.791 0.000 1.131 216 V HN 0.373 nan 8.190 nan 0.000 0.433 217 G N 0.176 108.842 108.800 -0.225 0.000 2.616 217 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 217 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 217 G C 0.844 175.830 174.900 0.144 0.000 1.213 217 G CA -0.040 45.049 45.100 -0.018 0.000 0.926 217 G HN 0.526 nan 8.290 nan 0.000 0.523 218 G N -1.801 107.026 108.800 0.045 0.000 2.939 218 G HA2 0.280 4.240 3.960 -0.000 0.000 0.216 218 G HA3 0.280 4.240 3.960 -0.000 0.000 0.216 218 G C 0.522 175.416 174.900 -0.010 0.000 1.125 218 G CA 0.525 45.538 45.100 -0.145 0.000 0.766 218 G HN 0.425 nan 8.290 nan 0.000 0.541 219 F N -0.118 119.792 119.950 -0.066 0.000 1.881 219 F HA 0.460 4.987 4.527 -0.000 0.000 0.233 219 F C 0.022 175.808 175.800 -0.022 0.000 1.186 219 F CA -0.741 57.257 58.000 -0.003 0.000 1.298 219 F CB 0.211 39.357 39.000 0.243 0.000 1.756 219 F HN -0.181 nan 8.300 nan 0.000 0.431 220 V N 2.698 122.478 119.914 -0.223 0.000 2.498 220 V HA 0.339 4.459 4.120 -0.000 0.000 0.279 220 V C 0.233 176.091 176.094 -0.394 0.000 1.048 220 V CA -0.349 61.643 62.300 -0.513 0.000 0.967 220 V CB 0.984 32.514 31.823 -0.489 0.000 0.988 220 V HN 0.404 nan 8.190 nan 0.000 0.473 221 S N 5.098 120.547 115.700 -0.418 0.000 2.579 221 S HA 0.296 4.766 4.470 -0.000 0.000 0.275 221 S C -0.252 173.958 174.600 -0.649 0.000 1.345 221 S CA -0.383 57.451 58.200 -0.610 0.000 1.031 221 S CB 0.468 63.158 63.200 -0.850 0.000 0.892 221 S HN 0.754 nan 8.310 nan 0.000 0.529 222 Q N 0.503 119.859 119.800 -0.741 0.000 2.372 222 Q HA 0.398 4.738 4.340 -0.000 0.000 0.273 222 Q C -1.597 174.084 176.000 -0.532 0.000 1.078 222 Q CA -0.614 54.880 55.803 -0.516 0.000 0.806 222 Q CB 1.724 30.249 28.738 -0.356 0.000 1.332 222 Q HN 0.623 nan 8.270 nan 0.000 0.435 223 Y N 0.899 121.150 120.300 -0.081 0.000 2.310 223 Y HA 0.468 5.018 4.550 -0.000 0.000 0.326 223 Y C -0.485 175.561 175.900 0.243 0.000 1.151 223 Y CA -0.418 57.753 58.100 0.119 0.000 1.195 223 Y CB 0.791 39.428 38.460 0.296 0.000 1.210 223 Y HN 0.500 nan 8.280 nan 0.000 0.483 224 F N 4.189 124.306 119.950 0.280 0.000 2.556 224 F HA 0.683 5.210 4.527 -0.000 0.000 0.314 224 F C -1.620 174.399 175.800 0.365 0.000 1.106 224 F CA -1.283 56.799 58.000 0.137 0.000 0.911 224 F CB 1.159 40.116 39.000 -0.072 0.000 1.190 224 F HN 0.666 nan 8.300 nan 0.000 0.448 225 W N 5.723 126.571 121.300 -0.753 0.000 3.059 225 W HA 0.749 5.409 4.660 -0.000 0.000 0.329 225 W C -2.569 173.609 176.519 -0.568 0.000 1.246 225 W CA -1.392 55.667 57.345 -0.477 0.000 1.190 225 W CB 0.660 30.034 29.460 -0.142 0.000 1.423 225 W HN 0.453 nan 8.180 nan 0.000 0.571 226 I N 2.502 123.028 120.570 -0.073 0.000 2.389 226 I HA 0.147 4.317 4.170 -0.000 0.000 0.288 226 I C 0.274 176.501 176.117 0.183 0.000 0.999 226 I CA -1.009 60.247 61.300 -0.073 0.000 1.129 226 I CB 1.668 39.657 38.000 -0.017 0.000 1.288 226 I HN 0.623 nan 8.210 nan 0.000 0.444 227 E N 6.818 127.133 120.200 0.193 0.000 2.652 227 E HA -0.156 4.194 4.350 -0.000 0.000 0.255 227 E C -0.114 176.710 176.600 0.374 0.000 0.952 227 E CA 0.543 57.140 56.400 0.328 0.000 0.947 227 E CB 0.277 30.174 29.700 0.328 0.000 0.912 227 E HN 0.617 nan 8.360 nan 0.000 0.489 228 D N 2.331 122.890 120.400 0.265 0.000 2.955 228 D HA -0.224 4.416 4.640 -0.000 0.000 0.226 228 D C -1.037 175.197 176.300 -0.111 0.000 1.178 228 D CA 1.199 55.258 54.000 0.098 0.000 0.808 228 D CB -1.069 39.813 40.800 0.137 0.000 1.099 228 D HN 0.485 nan 8.370 nan 0.000 0.421 229 H N 0.085 119.134 119.070 -0.035 0.000 2.658 229 H HA 0.394 4.950 4.556 -0.000 0.000 0.337 229 H C 0.031 175.394 175.328 0.058 0.000 1.009 229 H CA -0.480 55.553 56.048 -0.025 0.000 1.231 229 H CB 1.180 30.919 29.762 -0.037 0.000 1.508 229 H HN -0.075 nan 8.280 nan 0.000 0.517 230 E N 2.462 122.746 120.200 0.141 0.000 2.374 230 E HA 0.313 4.663 4.350 -0.000 0.000 0.260 230 E C -0.394 176.310 176.600 0.174 0.000 1.101 230 E CA -0.285 56.197 56.400 0.137 0.000 0.907 230 E CB 0.941 30.695 29.700 0.090 0.000 1.014 230 E HN 0.447 nan 8.360 nan 0.000 0.427 231 M N 1.287 120.985 119.600 0.162 0.000 2.253 231 M HA 0.253 4.733 4.480 -0.000 0.000 0.314 231 M C -1.013 175.364 176.300 0.128 0.000 1.019 231 M CA -0.539 54.862 55.300 0.168 0.000 0.932 231 M CB 2.176 34.895 32.600 0.198 0.000 1.606 231 M HN 0.294 nan 8.290 nan 0.000 0.430 232 T N 2.748 117.366 114.554 0.106 0.000 2.781 232 T HA 0.363 4.713 4.350 -0.000 0.000 0.305 232 T C 0.020 174.751 174.700 0.052 0.000 1.001 232 T CA -0.535 61.599 62.100 0.056 0.000 0.950 232 T CB 0.505 69.376 68.868 0.005 0.000 0.955 232 T HN 0.371 nan 8.240 nan 0.000 0.471 233 V N 4.888 124.852 119.914 0.083 0.000 2.479 233 V HA 0.101 4.221 4.120 -0.000 0.000 0.281 233 V C 1.341 177.468 176.094 0.056 0.000 1.031 233 V CA 0.159 62.530 62.300 0.118 0.000 1.038 233 V CB 0.805 32.756 31.823 0.212 0.000 0.981 233 V HN 0.872 nan 8.190 nan 0.000 0.478 234 V N 1.136 121.097 119.914 0.078 0.000 3.502 234 V HA 0.527 4.647 4.120 -0.000 0.000 0.288 234 V C 0.283 176.513 176.094 0.227 0.000 1.461 234 V CA 0.226 62.598 62.300 0.120 0.000 1.029 234 V CB 0.331 32.246 31.823 0.153 0.000 0.843 234 V HN 0.830 nan 8.190 nan 0.000 0.438 235 E N 1.182 121.459 120.200 0.129 0.000 2.381 235 E HA 0.513 4.862 4.350 -0.000 0.000 0.286 235 E C -1.822 174.726 176.600 -0.086 0.000 0.960 235 E CA -0.671 55.767 56.400 0.062 0.000 0.793 235 E CB 2.989 32.743 29.700 0.091 0.000 1.225 235 E HN 0.552 nan 8.360 nan 0.000 0.420 236 I N 0.261 120.734 120.570 -0.162 0.000 2.545 236 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 236 I C -0.728 175.225 176.117 -0.273 0.000 1.040 236 I CA -0.771 60.325 61.300 -0.339 0.000 1.068 236 I CB 1.819 39.524 38.000 -0.491 0.000 1.251 236 I HN 0.352 nan 8.210 nan 0.000 0.424 237 D N 4.701 124.914 120.400 -0.311 0.000 2.692 237 D HA -0.180 4.460 4.640 -0.000 0.000 0.233 237 D C 1.267 177.383 176.300 -0.305 0.000 1.172 237 D CA 1.990 55.822 54.000 -0.279 0.000 0.636 237 D CB -1.098 39.592 40.800 -0.184 0.000 1.028 237 D HN 1.382 nan 8.370 nan 0.000 0.419 238 G N -1.314 107.250 108.800 -0.394 0.000 2.212 238 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.266 238 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.266 238 G C 0.273 175.148 174.900 -0.042 0.000 0.978 238 G CA 0.235 45.154 45.100 -0.302 0.000 0.632 238 G HN 0.487 nan 8.290 nan 0.000 0.537 239 I N 2.800 123.343 120.570 -0.045 0.000 2.291 239 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 239 I C 0.881 177.029 176.117 0.051 0.000 1.050 239 I CA -0.352 60.961 61.300 0.023 0.000 1.245 239 I CB 0.277 38.272 38.000 -0.008 0.000 1.405 239 I HN -0.016 nan 8.210 nan 0.000 0.478 240 T N 4.912 119.533 114.554 0.111 0.000 2.928 240 T HA 0.108 4.458 4.350 -0.000 0.000 0.305 240 T C 0.592 175.388 174.700 0.159 0.000 1.035 240 T CA 0.449 62.637 62.100 0.146 0.000 1.145 240 T CB 0.714 69.623 68.868 0.068 0.000 0.963 240 T HN 0.658 nan 8.240 nan 0.000 0.545 241 T N 2.149 116.814 114.554 0.184 0.000 2.942 241 T HA 0.300 4.650 4.350 -0.000 0.000 0.289 241 T C -0.491 174.370 174.700 0.269 0.000 1.044 241 T CA -1.001 61.208 62.100 0.182 0.000 1.023 241 T CB 0.918 69.851 68.868 0.109 0.000 1.123 241 T HN 0.485 nan 8.240 nan 0.000 0.512 242 E N 2.351 122.690 120.200 0.232 0.000 2.373 242 E HA 0.119 4.469 4.350 -0.000 0.000 0.267 242 E C 0.007 176.674 176.600 0.111 0.000 1.032 242 E CA -0.146 56.394 56.400 0.233 0.000 0.889 242 E CB 0.537 30.329 29.700 0.154 0.000 0.984 242 E HN 0.483 nan 8.360 nan 0.000 0.425 243 K N 2.703 123.113 120.400 0.016 0.000 2.473 243 K HA -0.048 4.272 4.320 -0.000 0.000 0.277 243 K C 0.244 176.847 176.600 0.005 0.000 1.052 243 K CA 0.403 56.634 56.287 -0.094 0.000 1.114 243 K CB 0.087 32.496 32.500 -0.151 0.000 0.869 243 K HN 0.276 nan 8.250 nan 0.000 0.481 244 N N 3.014 121.733 118.700 0.031 0.000 2.448 244 N HA 0.148 4.888 4.740 -0.000 0.000 0.279 244 N C -1.204 174.350 175.510 0.073 0.000 1.025 244 N CA -0.445 52.646 53.050 0.068 0.000 0.898 244 N CB 1.522 40.075 38.487 0.110 0.000 1.303 244 N HN 0.097 nan 8.380 nan 0.000 0.495 245 V N 3.029 122.980 119.914 0.061 0.000 2.530 245 V HA 0.460 4.580 4.120 -0.000 0.000 0.282 245 V C 0.380 176.524 176.094 0.082 0.000 1.048 245 V CA 0.060 62.401 62.300 0.067 0.000 0.997 245 V CB 1.104 32.956 31.823 0.049 0.000 0.987 245 V HN 0.715 nan 8.190 nan 0.000 0.477 246 T N 1.948 116.563 114.554 0.101 0.000 2.841 246 T HA 0.388 4.738 4.350 -0.000 0.000 0.296 246 T C -0.008 174.760 174.700 0.113 0.000 1.166 246 T CA -0.651 61.513 62.100 0.107 0.000 1.007 246 T CB 2.072 71.024 68.868 0.140 0.000 1.253 246 T HN 0.532 nan 8.240 nan 0.000 0.511 247 D N -0.087 120.372 120.400 0.098 0.000 2.366 247 D HA 0.230 4.870 4.640 -0.000 0.000 0.205 247 D C 0.205 176.591 176.300 0.144 0.000 1.022 247 D CA 0.511 54.571 54.000 0.100 0.000 0.868 247 D CB 0.606 41.423 40.800 0.029 0.000 0.953 247 D HN 0.350 nan 8.370 nan 0.000 0.514 248 M N 0.732 120.431 119.600 0.165 0.000 2.421 248 M HA 0.337 4.817 4.480 -0.000 0.000 0.287 248 M C -2.074 174.398 176.300 0.288 0.000 1.183 248 M CA -0.517 54.929 55.300 0.243 0.000 0.916 248 M CB 2.391 35.079 32.600 0.147 0.000 1.701 248 M HN -0.287 nan 8.290 nan 0.000 0.470 249 L N 3.279 124.671 121.223 0.282 0.000 2.334 249 L HA 0.511 4.851 4.340 -0.000 0.000 0.273 249 L C -1.461 175.447 176.870 0.063 0.000 1.013 249 L CA -0.905 53.984 54.840 0.082 0.000 0.816 249 L CB 1.916 43.842 42.059 -0.222 0.000 1.278 249 L HN 0.641 nan 8.230 nan 0.000 0.431 250 Y N 3.780 123.933 120.300 -0.246 0.000 2.369 250 Y HA 0.563 5.113 4.550 -0.000 0.000 0.337 250 Y C -0.564 175.111 175.900 -0.375 0.000 0.961 250 Y CA -0.550 57.215 58.100 -0.559 0.000 1.186 250 Y CB 0.694 38.450 38.460 -1.173 0.000 1.139 250 Y HN 0.326 nan 8.280 nan 0.000 0.494 251 I N 6.835 127.005 120.570 -0.667 0.000 2.355 251 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 251 I C 0.354 176.150 176.117 -0.536 0.000 0.999 251 I CA -0.809 60.246 61.300 -0.409 0.000 1.163 251 I CB 1.543 39.340 38.000 -0.340 0.000 1.316 251 I HN 0.605 nan 8.210 nan 0.000 0.454 252 T N 3.142 117.513 114.554 -0.305 0.000 2.754 252 T HA 0.399 4.749 4.350 -0.000 0.000 0.286 252 T C 0.469 175.031 174.700 -0.229 0.000 0.997 252 T CA -0.766 61.178 62.100 -0.261 0.000 0.982 252 T CB 1.455 70.333 68.868 0.017 0.000 1.027 252 T HN 0.393 nan 8.240 nan 0.000 0.529 253 V N -0.424 119.375 119.914 -0.190 0.000 2.872 253 V HA 0.504 4.624 4.120 -0.000 0.000 0.307 253 V C 1.494 177.414 176.094 -0.290 0.000 1.072 253 V CA 0.014 62.182 62.300 -0.219 0.000 1.148 253 V CB -0.635 31.149 31.823 -0.065 0.000 0.954 253 V HN 2.224 nan 8.190 nan 0.000 0.490 254 A N 1.408 123.937 122.820 -0.485 0.000 3.907 254 A HA -0.193 4.127 4.320 -0.000 0.000 0.257 254 A C 0.747 178.063 177.584 -0.446 0.000 0.945 254 A CA 1.305 53.025 52.037 -0.528 0.000 1.394 254 A CB -2.434 16.065 19.000 -0.835 0.000 1.011 254 A HN 1.615 nan 8.150 nan 0.000 0.829 255 Q N -0.482 119.132 119.800 -0.310 0.000 2.260 255 Q HA 0.740 5.080 4.340 -0.000 0.000 0.238 255 Q C -0.391 175.453 176.000 -0.260 0.000 0.948 255 Q CA -0.656 55.022 55.803 -0.209 0.000 0.895 255 Q CB 0.780 29.488 28.738 -0.050 0.000 1.218 255 Q HN 0.453 nan 8.270 nan 0.000 0.470 256 R N 1.020 121.370 120.500 -0.250 0.000 2.513 256 R HA 0.403 4.743 4.340 -0.000 0.000 0.301 256 R C -1.593 174.573 176.300 -0.225 0.000 0.968 256 R CA -0.319 55.634 56.100 -0.246 0.000 0.872 256 R CB 1.310 31.433 30.300 -0.296 0.000 1.177 256 R HN 0.597 nan 8.270 nan 0.000 0.444 257 Y N 0.846 121.018 120.300 -0.213 0.000 2.328 257 Y HA 0.393 4.943 4.550 -0.000 0.000 0.337 257 Y C 0.192 175.992 175.900 -0.167 0.000 0.966 257 Y CA -0.696 57.319 58.100 -0.142 0.000 1.136 257 Y CB 2.297 40.699 38.460 -0.098 0.000 1.170 257 Y HN 0.427 nan 8.280 nan 0.000 0.470 258 T N 3.803 118.348 114.554 -0.016 0.000 2.795 258 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 258 T C -0.774 173.944 174.700 0.029 0.000 0.980 258 T CA -0.581 61.491 62.100 -0.046 0.000 1.012 258 T CB 1.202 70.021 68.868 -0.083 0.000 0.936 258 T HN 0.315 nan 8.240 nan 0.000 0.457 259 V N 4.084 124.001 119.914 0.006 0.000 2.808 259 V HA 0.426 4.546 4.120 -0.000 0.000 0.308 259 V C -0.632 175.500 176.094 0.062 0.000 1.099 259 V CA -0.902 61.432 62.300 0.057 0.000 0.920 259 V CB 2.128 33.994 31.823 0.072 0.000 1.014 259 V HN 0.746 nan 8.190 nan 0.000 0.425 260 L N 4.972 126.249 121.223 0.090 0.000 2.326 260 L HA 0.642 4.982 4.340 -0.000 0.000 0.278 260 L C -0.672 176.310 176.870 0.186 0.000 1.092 260 L CA -0.436 54.484 54.840 0.134 0.000 0.810 260 L CB 1.606 43.731 42.059 0.110 0.000 1.153 260 L HN 0.346 nan 8.230 nan 0.000 0.439 261 V N 2.060 122.134 119.914 0.267 0.000 2.525 261 V HA 0.252 4.372 4.120 -0.000 0.000 0.299 261 V C -0.974 175.356 176.094 0.392 0.000 1.034 261 V CA -0.670 61.821 62.300 0.319 0.000 0.863 261 V CB 1.712 33.744 31.823 0.348 0.000 0.999 261 V HN 0.613 nan 8.190 nan 0.000 0.423 262 H N 2.884 122.096 119.070 0.237 0.000 2.504 262 H HA 0.614 5.170 4.556 -0.000 0.000 0.322 262 H C 0.388 175.855 175.328 0.231 0.000 1.055 262 H CA -0.059 56.117 56.048 0.213 0.000 1.231 262 H CB 1.436 31.278 29.762 0.135 0.000 1.417 262 H HN 0.803 nan 8.280 nan 0.000 0.472 263 T N 2.052 116.527 114.554 -0.131 0.000 2.882 263 T HA 0.306 4.656 4.350 -0.000 0.000 0.287 263 T C 0.223 174.904 174.700 -0.032 0.000 1.014 263 T CA -1.034 61.094 62.100 0.047 0.000 1.049 263 T CB 0.966 69.834 68.868 -0.001 0.000 1.001 263 T HN 0.515 nan 8.240 nan 0.000 0.525 264 K N 1.524 122.019 120.400 0.158 0.000 2.120 264 K HA 0.213 4.533 4.320 -0.000 0.000 0.245 264 K C 0.864 177.515 176.600 0.085 0.000 1.024 264 K CA -0.839 55.456 56.287 0.014 0.000 0.906 264 K CB 0.267 32.670 32.500 -0.162 0.000 1.051 264 K HN 0.478 nan 8.250 nan 0.000 0.491 265 N N 0.957 119.677 118.700 0.034 0.000 2.409 265 N HA -0.048 4.691 4.740 -0.000 0.000 0.179 265 N C -0.465 175.076 175.510 0.051 0.000 1.032 265 N CA 0.903 53.984 53.050 0.051 0.000 0.898 265 N CB 0.099 38.609 38.487 0.038 0.000 0.971 265 N HN 0.432 nan 8.380 nan 0.000 0.441 266 D N -0.136 120.267 120.400 0.007 0.000 2.277 266 D HA 0.127 4.767 4.640 -0.000 0.000 0.249 266 D C 0.222 176.523 176.300 0.002 0.000 1.134 266 D CA 0.278 54.272 54.000 -0.010 0.000 0.863 266 D CB 1.248 42.021 40.800 -0.045 0.000 1.143 266 D HN -0.062 nan 8.370 nan 0.000 0.458 267 T N 0.896 115.489 114.554 0.065 0.000 3.278 267 T HA -0.038 4.312 4.350 -0.000 0.000 0.251 267 T C 1.273 176.000 174.700 0.044 0.000 1.039 267 T CA -0.242 61.934 62.100 0.126 0.000 0.935 267 T CB 0.094 69.034 68.868 0.121 0.000 1.034 267 T HN 0.443 nan 8.240 nan 0.000 0.575 268 D N 0.552 120.936 120.400 -0.025 0.000 2.240 268 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 268 D C 0.796 177.039 176.300 -0.095 0.000 0.963 268 D CA 0.502 54.473 54.000 -0.049 0.000 0.863 268 D CB 0.419 41.189 40.800 -0.051 0.000 0.973 268 D HN 0.248 nan 8.370 nan 0.000 0.501 269 K N 0.045 120.345 120.400 -0.167 0.000 2.328 269 K HA 0.291 4.611 4.320 -0.000 0.000 0.246 269 K C -0.959 175.437 176.600 -0.339 0.000 0.955 269 K CA -0.716 55.386 56.287 -0.307 0.000 0.817 269 K CB 1.742 33.954 32.500 -0.479 0.000 1.208 269 K HN -0.134 nan 8.250 nan 0.000 0.432 270 N N 1.702 120.198 118.700 -0.340 0.000 2.466 270 N HA 0.446 5.186 4.740 -0.000 0.000 0.294 270 N C -1.125 174.149 175.510 -0.394 0.000 1.129 270 N CA -0.169 52.784 53.050 -0.162 0.000 0.931 270 N CB 0.820 39.287 38.487 -0.034 0.000 1.193 270 N HN 0.298 nan 8.380 nan 0.000 0.500 271 F N 0.044 120.049 119.950 0.092 0.000 2.563 271 F HA 0.576 5.103 4.527 -0.000 0.000 0.316 271 F C 0.417 176.246 175.800 0.048 0.000 1.076 271 F CA -1.143 56.902 58.000 0.076 0.000 0.921 271 F CB 1.380 40.456 39.000 0.126 0.000 1.209 271 F HN 0.353 nan 8.300 nan 0.000 0.462 272 A N 3.170 126.103 122.820 0.189 0.000 2.320 272 A HA 0.650 4.969 4.320 -0.000 0.000 0.287 272 A C -0.485 177.040 177.584 -0.098 0.000 1.181 272 A CA -0.371 51.684 52.037 0.031 0.000 0.831 272 A CB -0.179 18.797 19.000 -0.040 0.000 1.102 272 A HN 0.700 nan 8.150 nan 0.000 0.513 273 I N 2.746 123.209 120.570 -0.179 0.000 2.325 273 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 273 I C -0.047 175.746 176.117 -0.540 0.000 1.019 273 I CA 0.037 61.135 61.300 -0.335 0.000 1.302 273 I CB 1.260 39.160 38.000 -0.165 0.000 1.401 273 I HN 0.650 nan 8.210 nan 0.000 0.485 274 M N 7.370 126.424 119.600 -0.910 0.000 2.243 274 M HA 0.330 4.810 4.480 -0.000 0.000 0.324 274 M C -0.784 174.891 176.300 -1.042 0.000 1.031 274 M CA -0.211 54.431 55.300 -1.096 0.000 0.949 274 M CB 1.545 33.049 32.600 -1.826 0.000 1.615 274 M HN 0.551 nan 8.290 nan 0.000 0.430 275 Q N 3.610 123.053 119.800 -0.596 0.000 2.365 275 Q HA 0.641 4.981 4.340 -0.000 0.000 0.269 275 Q C -1.590 174.302 176.000 -0.179 0.000 1.061 275 Q CA -1.026 54.596 55.803 -0.302 0.000 0.816 275 Q CB 2.626 31.283 28.738 -0.134 0.000 1.325 275 Q HN 0.653 nan 8.270 nan 0.000 0.446 276 K N 2.905 123.319 120.400 0.023 0.000 2.427 276 K HA 0.386 4.706 4.320 -0.000 0.000 0.252 276 K C -1.381 175.345 176.600 0.211 0.000 0.931 276 K CA -0.746 55.659 56.287 0.196 0.000 0.793 276 K CB 1.558 34.312 32.500 0.424 0.000 1.211 276 K HN 0.581 nan 8.250 nan 0.000 0.426 277 F N 1.787 121.789 119.950 0.087 0.000 2.553 277 F HA -0.056 4.471 4.527 -0.000 0.000 0.356 277 F C 1.148 177.026 175.800 0.129 0.000 1.142 277 F CA 0.582 58.595 58.000 0.022 0.000 1.322 277 F CB 0.501 39.491 39.000 -0.016 0.000 1.126 277 F HN 0.499 nan 8.300 nan 0.000 0.599 278 D N 2.957 123.478 120.400 0.202 0.000 2.483 278 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 278 D C 0.528 176.926 176.300 0.163 0.000 1.173 278 D CA -0.404 53.725 54.000 0.216 0.000 0.964 278 D CB 0.061 40.867 40.800 0.010 0.000 1.046 278 D HN 0.492 nan 8.370 nan 0.000 0.517 279 D N 0.750 121.258 120.400 0.179 0.000 2.348 279 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 279 D C 1.497 177.824 176.300 0.044 0.000 0.970 279 D CA 0.417 54.453 54.000 0.060 0.000 0.889 279 D CB -0.222 40.584 40.800 0.009 0.000 0.912 279 D HN 0.203 nan 8.370 nan 0.000 0.524 280 T N 0.394 114.996 114.554 0.080 0.000 2.721 280 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 280 T C 1.652 176.390 174.700 0.063 0.000 1.038 280 T CA 1.603 63.747 62.100 0.073 0.000 1.145 280 T CB -0.271 68.651 68.868 0.090 0.000 0.858 280 T HN 0.287 nan 8.240 nan 0.000 0.459 281 M N 0.096 119.713 119.600 0.029 0.000 2.558 281 M HA 0.190 4.670 4.480 -0.000 0.000 0.255 281 M C 0.191 176.560 176.300 0.115 0.000 1.113 281 M CA 0.460 55.779 55.300 0.032 0.000 1.097 281 M CB -0.094 32.423 32.600 -0.138 0.000 1.426 281 M HN 0.119 nan 8.290 nan 0.000 0.488 282 L N 0.859 122.115 121.223 0.055 0.000 2.331 282 L HA 0.055 4.395 4.340 -0.000 0.000 0.278 282 L C 1.026 177.955 176.870 0.100 0.000 1.106 282 L CA -0.322 54.573 54.840 0.093 0.000 0.824 282 L CB 0.794 42.834 42.059 -0.032 0.000 1.142 282 L HN 0.087 nan 8.230 nan 0.000 0.443 283 D N 2.094 122.566 120.400 0.121 0.000 2.084 283 D HA -0.115 4.525 4.640 -0.000 0.000 0.194 283 D C 0.270 176.595 176.300 0.042 0.000 0.990 283 D CA 1.195 55.245 54.000 0.084 0.000 0.826 283 D CB 0.440 41.282 40.800 0.071 0.000 0.971 283 D HN 0.254 nan 8.370 nan 0.000 0.453 284 V N -1.942 117.982 119.914 0.017 0.000 3.040 284 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 284 V C -0.416 175.653 176.094 -0.042 0.000 1.115 284 V CA -1.117 61.178 62.300 -0.008 0.000 0.998 284 V CB 2.061 33.878 31.823 -0.010 0.000 1.042 284 V HN -0.016 nan 8.190 nan 0.000 0.433 285 I N 4.258 124.795 120.570 -0.055 0.000 2.306 285 I HA 0.424 4.594 4.170 -0.000 0.000 0.288 285 I C -2.023 174.042 176.117 -0.086 0.000 1.036 285 I CA -1.638 59.604 61.300 -0.097 0.000 1.221 285 I CB 1.697 39.642 38.000 -0.093 0.000 1.385 285 I HN 0.596 nan 8.210 nan 0.000 0.472 286 P HA 0.061 nan 4.420 nan 0.000 0.268 286 P C 0.732 177.986 177.300 -0.077 0.000 1.204 286 P CA -0.189 62.862 63.100 -0.082 0.000 0.768 286 P CB 0.919 32.563 31.700 -0.094 0.000 0.842 287 S N 0.676 116.345 115.700 -0.052 0.000 2.474 287 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 287 S C 1.053 175.631 174.600 -0.037 0.000 0.997 287 S CA 1.023 59.199 58.200 -0.040 0.000 0.949 287 S CB -0.554 62.630 63.200 -0.026 0.000 0.766 287 S HN 0.636 nan 8.310 nan 0.000 0.517 288 D N 0.397 120.771 120.400 -0.043 0.000 2.379 288 D HA 0.104 4.743 4.640 -0.000 0.000 0.208 288 D C 0.534 176.808 176.300 -0.043 0.000 1.065 288 D CA -0.472 53.509 54.000 -0.032 0.000 0.848 288 D CB -0.448 40.339 40.800 -0.022 0.000 0.949 288 D HN 0.407 nan 8.370 nan 0.000 0.509 289 L N 2.546 123.722 121.223 -0.080 0.000 2.500 289 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 289 L C 0.003 176.828 176.870 -0.075 0.000 1.149 289 L CA 0.070 54.843 54.840 -0.112 0.000 0.897 289 L CB 0.447 42.370 42.059 -0.227 0.000 1.178 289 L HN -0.131 nan 8.230 nan 0.000 0.473 290 Q N 6.080 125.874 119.800 -0.010 0.000 2.301 290 Q HA 0.033 4.373 4.340 -0.000 0.000 0.262 290 Q C 0.986 177.045 176.000 0.099 0.000 1.168 290 Q CA 0.370 56.199 55.803 0.043 0.000 0.908 290 Q CB 0.639 29.414 28.738 0.062 0.000 1.348 290 Q HN 0.813 nan 8.270 nan 0.000 0.441 291 L N 1.786 123.051 121.223 0.071 0.000 2.156 291 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 291 L C 0.220 177.271 176.870 0.301 0.000 1.095 291 L CA 0.864 55.800 54.840 0.161 0.000 0.770 291 L CB -0.069 42.028 42.059 0.064 0.000 0.914 291 L HN 0.527 nan 8.230 nan 0.000 0.439 292 N N -0.206 118.595 118.700 0.168 0.000 2.284 292 N HA 0.581 5.321 4.740 -0.000 0.000 0.300 292 N C -0.933 174.585 175.510 0.013 0.000 1.047 292 N CA -0.487 52.624 53.050 0.102 0.000 0.821 292 N CB 1.822 40.380 38.487 0.118 0.000 1.337 292 N HN -0.034 nan 8.380 nan 0.000 0.482 293 A N 1.006 123.783 122.820 -0.071 0.000 2.342 293 A HA 0.761 5.080 4.320 -0.000 0.000 0.323 293 A C -0.628 176.825 177.584 -0.219 0.000 1.125 293 A CA -0.618 51.350 52.037 -0.115 0.000 0.785 293 A CB 0.858 19.795 19.000 -0.106 0.000 1.221 293 A HN 0.626 nan 8.150 nan 0.000 0.463 294 T N 1.876 116.299 114.554 -0.219 0.000 2.771 294 T HA 0.604 4.954 4.350 -0.000 0.000 0.281 294 T C 0.206 174.623 174.700 -0.471 0.000 0.982 294 T CA -0.168 61.755 62.100 -0.296 0.000 0.978 294 T CB 1.264 70.023 68.868 -0.182 0.000 0.930 294 T HN 0.576 nan 8.240 nan 0.000 0.447 295 S N 1.142 116.520 115.700 -0.537 0.000 2.759 295 S HA 0.701 5.171 4.470 -0.000 0.000 0.310 295 S C -1.457 172.751 174.600 -0.654 0.000 1.123 295 S CA -0.772 56.959 58.200 -0.783 0.000 0.959 295 S CB 0.797 63.747 63.200 -0.416 0.000 1.172 295 S HN 0.647 nan 8.310 nan 0.000 0.539 296 Y N 0.925 121.222 120.300 -0.006 0.000 2.326 296 Y HA 0.478 5.028 4.550 -0.000 0.000 0.331 296 Y C -0.075 175.861 175.900 0.060 0.000 0.962 296 Y CA -0.607 57.501 58.100 0.014 0.000 1.167 296 Y CB 0.999 39.459 38.460 -0.000 0.000 1.148 296 Y HN 0.429 nan 8.280 nan 0.000 0.463 297 M N 5.006 124.725 119.600 0.199 0.000 2.135 297 M HA 0.398 4.878 4.480 -0.000 0.000 0.345 297 M C -1.547 174.814 176.300 0.101 0.000 1.340 297 M CA -0.450 54.893 55.300 0.073 0.000 1.162 297 M CB 0.088 32.685 32.600 -0.005 0.000 1.570 297 M HN 0.486 nan 8.290 nan 0.000 0.454 298 V N 7.240 127.134 119.914 -0.033 0.000 2.318 298 V HA 0.125 4.245 4.120 -0.000 0.000 0.271 298 V C -0.252 175.808 176.094 -0.056 0.000 1.030 298 V CA -0.275 62.033 62.300 0.014 0.000 0.844 298 V CB 0.515 32.338 31.823 0.000 0.000 1.015 298 V HN 0.839 nan 8.190 nan 0.000 0.460 299 Y N 2.043 122.316 120.300 -0.046 0.000 2.397 299 Y HA 0.206 4.756 4.550 -0.000 0.000 0.292 299 Y C 1.385 177.264 175.900 -0.035 0.000 1.115 299 Y CA 0.444 58.521 58.100 -0.037 0.000 1.208 299 Y CB 0.393 38.877 38.460 0.040 0.000 1.046 299 Y HN 0.572 nan 8.280 nan 0.000 0.552 300 N N 0.236 119.010 118.700 0.124 0.000 2.491 300 N HA 0.123 4.863 4.740 -0.000 0.000 0.274 300 N C 0.043 175.556 175.510 0.005 0.000 1.023 300 N CA -0.163 52.915 53.050 0.048 0.000 0.902 300 N CB 1.135 39.640 38.487 0.031 0.000 1.267 300 N HN 0.009 nan 8.380 nan 0.000 0.503 301 K N 1.083 121.480 120.400 -0.005 0.000 2.442 301 K HA -0.015 4.305 4.320 -0.000 0.000 0.198 301 K C 0.497 177.078 176.600 -0.032 0.000 1.042 301 K CA 0.843 57.118 56.287 -0.020 0.000 0.958 301 K CB 0.368 32.859 32.500 -0.015 0.000 0.766 301 K HN 0.433 nan 8.250 nan 0.000 0.474 302 T N -0.202 114.334 114.554 -0.030 0.000 2.959 302 T HA 0.221 4.571 4.350 -0.000 0.000 0.254 302 T C 0.339 175.011 174.700 -0.046 0.000 1.003 302 T CA -0.096 61.983 62.100 -0.035 0.000 0.950 302 T CB 0.372 69.226 68.868 -0.024 0.000 1.090 302 T HN 0.201 nan 8.240 nan 0.000 0.503 303 A N 1.260 124.050 122.820 -0.050 0.000 2.267 303 A HA 0.800 5.120 4.320 -0.000 0.000 0.271 303 A C 0.602 178.132 177.584 -0.090 0.000 1.131 303 A CA -0.210 51.788 52.037 -0.065 0.000 0.818 303 A CB -0.150 18.811 19.000 -0.065 0.000 1.118 303 A HN 0.480 nan 8.150 nan 0.000 0.501 304 A N -0.116 122.645 122.820 -0.099 0.000 2.520 304 A HA 0.457 4.777 4.320 -0.000 0.000 0.245 304 A C 0.199 177.692 177.584 -0.152 0.000 1.072 304 A CA -0.169 51.799 52.037 -0.116 0.000 0.761 304 A CB -0.614 18.324 19.000 -0.102 0.000 1.004 304 A HN 0.716 nan 8.150 nan 0.000 0.499 305 L N 4.650 125.750 121.223 -0.205 0.000 2.455 305 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 305 L C -1.539 175.208 176.870 -0.205 0.000 1.174 305 L CA -1.340 53.303 54.840 -0.329 0.000 0.869 305 L CB 0.156 41.893 42.059 -0.536 0.000 1.130 305 L HN 0.553 nan 8.230 nan 0.000 0.474 306 P HA 0.048 nan 4.420 nan 0.000 0.268 306 P C -0.193 177.129 177.300 0.037 0.000 1.204 306 P CA -0.323 62.770 63.100 -0.013 0.000 0.768 306 P CB 0.442 32.187 31.700 0.075 0.000 0.842 307 T N -0.355 114.188 114.554 -0.018 0.000 2.770 307 T HA 0.133 4.483 4.350 -0.000 0.000 0.281 307 T C 0.369 175.020 174.700 -0.082 0.000 0.981 307 T CA -0.779 61.302 62.100 -0.033 0.000 0.955 307 T CB 0.329 69.166 68.868 -0.052 0.000 1.060 307 T HN 0.524 nan 8.240 nan 0.000 0.531 308 Q N 0.844 120.543 119.800 -0.168 0.000 2.315 308 Q HA -0.030 4.310 4.340 -0.000 0.000 0.289 308 Q C -0.063 175.714 176.000 -0.371 0.000 1.044 308 Q CA -0.080 55.549 55.803 -0.290 0.000 0.920 308 Q CB 0.247 28.741 28.738 -0.407 0.000 1.214 308 Q HN 0.713 nan 8.270 nan 0.000 0.392 309 N N 4.338 122.910 118.700 -0.213 0.000 2.437 309 N HA 0.079 4.819 4.740 -0.000 0.000 0.243 309 N C -1.356 174.194 175.510 0.067 0.000 1.041 309 N CA -0.169 52.857 53.050 -0.040 0.000 0.940 309 N CB 0.382 38.957 38.487 0.147 0.000 1.133 309 N HN 0.520 nan 8.380 nan 0.000 0.506 310 Y N 2.033 122.440 120.300 0.179 0.000 2.442 310 Y HA 0.155 4.705 4.550 -0.000 0.000 0.330 310 Y C 0.645 176.613 175.900 0.113 0.000 1.129 310 Y CA -0.441 57.747 58.100 0.146 0.000 1.365 310 Y CB 1.172 39.678 38.460 0.076 0.000 1.233 310 Y HN 0.153 nan 8.280 nan 0.000 0.529 311 V N 3.204 123.255 119.914 0.229 0.000 2.628 311 V HA 0.057 4.177 4.120 -0.000 0.000 0.306 311 V C 0.202 176.256 176.094 -0.066 0.000 1.045 311 V CA -0.450 61.819 62.300 -0.053 0.000 0.905 311 V CB 2.023 33.556 31.823 -0.482 0.000 0.997 311 V HN 0.938 nan 8.190 nan 0.000 0.436 312 D N 2.565 122.908 120.400 -0.096 0.000 2.234 312 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 312 D C 0.575 176.813 176.300 -0.102 0.000 0.962 312 D CA 1.105 55.060 54.000 -0.075 0.000 0.855 312 D CB 0.377 41.141 40.800 -0.060 0.000 0.951 312 D HN 0.482 nan 8.370 nan 0.000 0.500 313 S N -1.156 114.450 115.700 -0.156 0.000 2.535 313 S HA 0.316 4.786 4.470 -0.000 0.000 0.272 313 S C -0.295 174.171 174.600 -0.224 0.000 1.149 313 S CA -0.899 57.209 58.200 -0.153 0.000 0.888 313 S CB 0.908 64.041 63.200 -0.111 0.000 1.110 313 S HN 0.233 nan 8.310 nan 0.000 0.463 314 I N 0.360 120.801 120.570 -0.214 0.000 3.856 314 I HA 0.592 4.762 4.170 -0.000 0.000 0.333 314 I C -0.245 175.898 176.117 0.045 0.000 1.525 314 I CA -0.314 60.810 61.300 -0.294 0.000 1.173 314 I CB 0.207 37.788 38.000 -0.698 0.000 1.175 314 I HN 0.273 nan 8.210 nan 0.000 0.424 315 D N 0.925 121.332 120.400 0.012 0.000 2.398 315 D HA 0.095 4.735 4.640 -0.000 0.000 0.210 315 D C 0.665 176.830 176.300 -0.226 0.000 1.094 315 D CA 0.330 54.324 54.000 -0.010 0.000 0.839 315 D CB 0.209 40.983 40.800 -0.043 0.000 0.963 315 D HN 0.356 nan 8.370 nan 0.000 0.506 316 N N 0.787 119.394 118.700 -0.155 0.000 2.275 316 N HA 0.072 4.812 4.740 -0.000 0.000 0.236 316 N C 0.058 175.488 175.510 -0.134 0.000 1.154 316 N CA -0.290 52.641 53.050 -0.198 0.000 0.866 316 N CB 0.272 38.690 38.487 -0.115 0.000 1.093 316 N HN 0.175 nan 8.380 nan 0.000 0.515 317 F N 0.190 120.188 119.950 0.081 0.000 2.539 317 F HA 0.232 4.759 4.527 -0.000 0.000 0.340 317 F C 0.894 176.782 175.800 0.146 0.000 1.185 317 F CA -1.398 56.685 58.000 0.139 0.000 1.333 317 F CB 0.249 39.404 39.000 0.259 0.000 1.152 317 F HN -0.159 nan 8.300 nan 0.000 0.602 318 L N 2.443 123.869 121.223 0.338 0.000 2.559 318 L HA 0.080 4.420 4.340 -0.000 0.000 0.274 318 L C -0.170 176.962 176.870 0.436 0.000 1.205 318 L CA 0.439 55.457 54.840 0.297 0.000 0.907 318 L CB -0.310 41.924 42.059 0.290 0.000 1.153 318 L HN 0.726 nan 8.230 nan 0.000 0.490 319 D N 3.813 124.420 120.400 0.345 0.000 2.365 319 D HA 0.025 4.665 4.640 -0.000 0.000 0.237 319 D C 0.705 177.278 176.300 0.455 0.000 1.190 319 D CA -0.222 54.042 54.000 0.441 0.000 0.867 319 D CB 0.767 41.814 40.800 0.411 0.000 1.050 319 D HN 0.704 nan 8.370 nan 0.000 0.491 320 D N 3.120 123.788 120.400 0.446 0.000 2.309 320 D HA -0.239 4.400 4.640 -0.000 0.000 0.212 320 D C 1.724 178.151 176.300 0.213 0.000 0.968 320 D CA 0.204 54.412 54.000 0.346 0.000 0.882 320 D CB -0.587 40.422 40.800 0.348 0.000 0.918 320 D HN 0.471 nan 8.370 nan 0.000 0.503 321 F N 0.688 120.662 119.950 0.040 0.000 2.202 321 F HA -0.192 4.335 4.527 -0.000 0.000 0.301 321 F C 1.327 176.995 175.800 -0.219 0.000 1.082 321 F CA 1.183 59.088 58.000 -0.158 0.000 1.313 321 F CB -0.178 38.634 39.000 -0.314 0.000 1.024 321 F HN -0.140 nan 8.300 nan 0.000 0.495 322 Y N -0.329 120.110 120.300 0.231 0.000 2.466 322 Y HA 0.164 4.713 4.550 -0.000 0.000 0.272 322 Y C 0.480 176.423 175.900 0.072 0.000 1.169 322 Y CA -0.869 57.320 58.100 0.148 0.000 1.285 322 Y CB -0.197 38.389 38.460 0.210 0.000 1.078 322 Y HN -0.172 nan 8.280 nan 0.000 0.523 323 L N 1.145 122.463 121.223 0.159 0.000 2.506 323 L HA -0.029 4.311 4.340 -0.000 0.000 0.281 323 L C -0.043 176.857 176.870 0.051 0.000 1.228 323 L CA 0.328 55.233 54.840 0.108 0.000 0.850 323 L CB 0.315 42.424 42.059 0.083 0.000 1.110 323 L HN 0.255 nan 8.230 nan 0.000 0.496 324 Q N 4.285 124.125 119.800 0.066 0.000 2.363 324 Q HA 0.356 4.696 4.340 -0.000 0.000 0.265 324 Q C -2.266 173.767 176.000 0.054 0.000 1.032 324 Q CA -1.946 53.884 55.803 0.046 0.000 0.746 324 Q CB 1.535 30.303 28.738 0.051 0.000 1.237 324 Q HN 0.381 nan 8.270 nan 0.000 0.475 325 P HA -0.176 nan 4.420 nan 0.000 0.263 325 P C -0.389 176.956 177.300 0.076 0.000 1.175 325 P CA 0.503 63.637 63.100 0.056 0.000 0.761 325 P CB 0.403 32.116 31.700 0.022 0.000 0.794 326 Y N 3.278 123.576 120.300 -0.004 0.000 2.200 326 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 326 Y C 0.810 176.682 175.900 -0.046 0.000 1.137 326 Y CA 1.461 59.544 58.100 -0.029 0.000 1.163 326 Y CB 0.046 38.472 38.460 -0.057 0.000 0.988 326 Y HN 0.372 nan 8.280 nan 0.000 0.518 327 E N 1.985 122.209 120.200 0.040 0.000 1.996 327 E HA 0.102 4.452 4.350 -0.000 0.000 0.280 327 E C -0.598 175.977 176.600 -0.041 0.000 1.092 327 E CA -0.225 56.154 56.400 -0.035 0.000 0.862 327 E CB 0.347 30.078 29.700 0.050 0.000 1.066 327 E HN 0.207 nan 8.360 nan 0.000 0.396 328 K N 2.711 123.044 120.400 -0.113 0.000 2.412 328 K HA 0.079 4.399 4.320 -0.000 0.000 0.281 328 K C -0.184 176.433 176.600 0.028 0.000 1.027 328 K CA 0.537 56.769 56.287 -0.091 0.000 0.989 328 K CB 0.562 32.873 32.500 -0.314 0.000 0.935 328 K HN 0.426 nan 8.250 nan 0.000 0.475 329 E N 1.319 121.579 120.200 0.099 0.000 2.241 329 E HA 0.277 4.627 4.350 -0.000 0.000 0.263 329 E C -1.053 175.580 176.600 0.055 0.000 0.882 329 E CA -0.718 55.715 56.400 0.056 0.000 0.769 329 E CB 1.912 31.581 29.700 -0.053 0.000 1.185 329 E HN 0.661 nan 8.360 nan 0.000 0.415 330 A N 3.527 126.349 122.820 0.004 0.000 2.483 330 A HA 0.109 4.429 4.320 -0.000 0.000 0.238 330 A C 0.386 177.765 177.584 -0.343 0.000 1.070 330 A CA -0.201 51.671 52.037 -0.275 0.000 0.770 330 A CB 0.129 18.989 19.000 -0.234 0.000 1.008 330 A HN 0.841 nan 8.150 nan 0.000 0.497 331 I N 1.797 122.158 120.570 -0.349 0.000 2.826 331 I HA -0.029 4.141 4.170 -0.000 0.000 0.295 331 I C -0.246 175.730 176.117 -0.235 0.000 1.213 331 I CA 0.150 61.268 61.300 -0.303 0.000 1.436 331 I CB 0.128 38.020 38.000 -0.180 0.000 1.348 331 I HN 0.625 nan 8.210 nan 0.000 0.570 332 Y N 6.008 126.249 120.300 -0.098 0.000 2.480 332 Y HA 0.205 4.755 4.550 -0.000 0.000 0.338 332 Y C 1.430 177.280 175.900 -0.082 0.000 1.220 332 Y CA -0.078 57.968 58.100 -0.089 0.000 1.430 332 Y CB 0.407 38.800 38.460 -0.111 0.000 1.311 332 Y HN 0.704 nan 8.280 nan 0.000 0.575 333 G N 1.531 110.406 108.800 0.125 0.000 2.647 333 G HA2 0.007 3.967 3.960 -0.000 0.000 0.271 333 G HA3 0.007 3.967 3.960 -0.000 0.000 0.271 333 G C -0.471 174.449 174.900 0.032 0.000 1.300 333 G CA -0.775 44.359 45.100 0.056 0.000 0.997 333 G HN 0.561 nan 8.290 nan 0.000 0.533 334 E N 0.792 121.009 120.200 0.028 0.000 2.529 334 E HA 0.040 4.390 4.350 -0.000 0.000 0.259 334 E C -1.908 174.681 176.600 -0.019 0.000 0.966 334 E CA -0.661 55.752 56.400 0.021 0.000 0.937 334 E CB 0.339 30.061 29.700 0.035 0.000 0.923 334 E HN 0.102 nan 8.360 nan 0.000 0.468 335 P HA 0.047 nan 4.420 nan 0.000 0.271 335 P C 0.150 177.414 177.300 -0.060 0.000 1.220 335 P CA -0.038 63.012 63.100 -0.085 0.000 0.768 335 P CB 0.604 32.245 31.700 -0.098 0.000 0.848 336 D N -0.089 120.264 120.400 -0.079 0.000 2.289 336 D HA -0.077 4.563 4.640 -0.000 0.000 0.207 336 D C 0.202 176.492 176.300 -0.017 0.000 0.966 336 D CA 1.545 55.513 54.000 -0.054 0.000 0.868 336 D CB 0.108 40.865 40.800 -0.071 0.000 0.943 336 D HN 0.433 nan 8.370 nan 0.000 0.514 337 H N 0.142 119.120 119.070 -0.153 0.000 3.018 337 H HA 0.334 4.890 4.556 -0.000 0.000 0.334 337 H C -1.540 173.677 175.328 -0.186 0.000 0.983 337 H CA -0.594 55.364 56.048 -0.149 0.000 1.363 337 H CB 0.804 30.460 29.762 -0.176 0.000 1.668 337 H HN -0.360 nan 8.280 nan 0.000 0.513 338 V N 7.630 127.631 119.914 0.145 0.000 2.370 338 V HA 0.342 4.462 4.120 -0.000 0.000 0.283 338 V C 0.522 176.563 176.094 -0.088 0.000 1.023 338 V CA -0.577 61.697 62.300 -0.042 0.000 0.857 338 V CB 1.283 33.102 31.823 -0.007 0.000 0.985 338 V HN 0.598 nan 8.190 nan 0.000 0.443 339 I N 4.160 124.536 120.570 -0.324 0.000 2.330 339 I HA 0.355 4.524 4.170 -0.000 0.000 0.289 339 I C 0.172 176.092 176.117 -0.329 0.000 1.001 339 I CA 0.032 61.064 61.300 -0.446 0.000 1.193 339 I CB 1.517 38.968 38.000 -0.916 0.000 1.345 339 I HN 0.506 nan 8.210 nan 0.000 0.461 340 T N 6.455 120.909 114.554 -0.167 0.000 2.756 340 T HA 0.488 4.838 4.350 -0.000 0.000 0.290 340 T C -0.224 174.429 174.700 -0.079 0.000 0.985 340 T CA -0.533 61.505 62.100 -0.103 0.000 0.955 340 T CB 1.222 70.091 68.868 0.003 0.000 0.930 340 T HN 0.399 nan 8.240 nan 0.000 0.451 341 V N 0.506 120.339 119.914 -0.135 0.000 2.588 341 V HA 0.716 4.836 4.120 -0.000 0.000 0.304 341 V C -1.061 175.067 176.094 0.057 0.000 1.042 341 V CA -1.110 61.167 62.300 -0.040 0.000 0.877 341 V CB 2.063 33.721 31.823 -0.276 0.000 0.996 341 V HN 0.551 nan 8.190 nan 0.000 0.425 342 D N 3.050 123.549 120.400 0.165 0.000 2.177 342 D HA 0.599 5.238 4.640 -0.000 0.000 0.247 342 D C -0.370 176.075 176.300 0.242 0.000 1.063 342 D CA -0.105 53.987 54.000 0.154 0.000 0.867 342 D CB 2.109 42.977 40.800 0.113 0.000 1.168 342 D HN 0.542 nan 8.370 nan 0.000 0.445 343 V N 2.686 122.704 119.914 0.173 0.000 2.370 343 V HA 0.511 4.631 4.120 -0.000 0.000 0.283 343 V C 0.025 176.180 176.094 0.101 0.000 1.023 343 V CA -0.536 61.843 62.300 0.132 0.000 0.857 343 V CB 1.650 33.511 31.823 0.064 0.000 0.985 343 V HN 0.295 nan 8.190 nan 0.000 0.443 344 V N 6.521 126.515 119.914 0.132 0.000 3.087 344 V HA 0.635 4.755 4.120 -0.000 0.000 0.306 344 V C -1.016 175.210 176.094 0.219 0.000 1.187 344 V CA -0.724 61.658 62.300 0.136 0.000 0.999 344 V CB 2.617 34.494 31.823 0.091 0.000 1.049 344 V HN 0.844 nan 8.190 nan 0.000 0.431 345 M N 4.263 123.970 119.600 0.178 0.000 2.264 345 M HA 0.678 5.158 4.480 -0.000 0.000 0.352 345 M C -0.732 175.705 176.300 0.227 0.000 1.173 345 M CA 0.094 55.528 55.300 0.222 0.000 1.075 345 M CB 1.081 33.754 32.600 0.122 0.000 1.621 345 M HN 0.745 nan 8.290 nan 0.000 0.457 346 D N 0.680 121.301 120.400 0.368 0.000 2.623 346 D HA 0.368 5.008 4.640 -0.000 0.000 0.241 346 D C -1.431 175.081 176.300 0.354 0.000 1.241 346 D CA -0.440 53.709 54.000 0.248 0.000 0.788 346 D CB 1.579 42.384 40.800 0.008 0.000 1.413 346 D HN 0.461 nan 8.370 nan 0.000 0.429 347 N N 1.405 120.251 118.700 0.243 0.000 2.499 347 N HA 0.387 5.127 4.740 -0.000 0.000 0.281 347 N C -0.324 175.475 175.510 0.482 0.000 1.098 347 N CA -0.120 53.120 53.050 0.316 0.000 0.979 347 N CB 1.203 39.835 38.487 0.242 0.000 1.121 347 N HN 0.347 nan 8.380 nan 0.000 0.466 348 L N 1.190 122.631 121.223 0.363 0.000 2.347 348 L HA 0.331 4.671 4.340 -0.000 0.000 0.268 348 L C 1.946 178.732 176.870 -0.140 0.000 1.019 348 L CA -0.769 54.173 54.840 0.170 0.000 0.806 348 L CB 0.735 42.940 42.059 0.244 0.000 1.339 348 L HN 0.435 nan 8.230 nan 0.000 0.463 349 K N 0.726 121.004 120.400 -0.205 0.000 2.160 349 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 349 K C 1.368 177.887 176.600 -0.134 0.000 1.047 349 K CA 1.885 58.025 56.287 -0.245 0.000 0.930 349 K CB -0.102 32.312 32.500 -0.144 0.000 0.720 349 K HN 0.645 nan 8.250 nan 0.000 0.450 350 N N -0.647 118.028 118.700 -0.043 0.000 2.461 350 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 350 N C 0.981 176.468 175.510 -0.038 0.000 1.134 350 N CA 1.149 54.185 53.050 -0.024 0.000 0.878 350 N CB 0.301 38.798 38.487 0.018 0.000 0.972 350 N HN 0.276 nan 8.380 nan 0.000 0.456 351 G N -0.657 108.129 108.800 -0.024 0.000 2.205 351 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 351 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 351 G C 0.046 174.918 174.900 -0.046 0.000 0.980 351 G CA 0.605 45.698 45.100 -0.011 0.000 0.632 351 G HN 0.896 nan 8.290 nan 0.000 0.533 352 V N -0.874 118.990 119.914 -0.083 0.000 2.863 352 V HA 0.708 4.828 4.120 -0.000 0.000 0.307 352 V C 0.419 176.357 176.094 -0.261 0.000 1.061 352 V CA -0.606 61.549 62.300 -0.242 0.000 1.024 352 V CB 1.873 33.461 31.823 -0.391 0.000 1.049 352 V HN 0.344 nan 8.190 nan 0.000 0.471 353 N N 2.587 121.068 118.700 -0.364 0.000 2.426 353 N HA 0.335 5.074 4.740 -0.000 0.000 0.257 353 N C -1.498 173.785 175.510 -0.378 0.000 1.002 353 N CA -0.239 52.674 53.050 -0.228 0.000 0.942 353 N CB 0.737 39.129 38.487 -0.158 0.000 1.112 353 N HN 0.772 nan 8.380 nan 0.000 0.499 354 Y N 0.842 121.138 120.300 -0.006 0.000 2.568 354 Y HA 0.581 5.131 4.550 -0.000 0.000 0.327 354 Y C 0.500 176.312 175.900 -0.146 0.000 1.163 354 Y CA -0.902 57.106 58.100 -0.153 0.000 1.219 354 Y CB 1.505 39.757 38.460 -0.347 0.000 1.308 354 Y HN 0.475 nan 8.280 nan 0.000 0.503 355 A N 1.435 124.196 122.820 -0.098 0.000 2.324 355 A HA 0.796 5.116 4.320 -0.000 0.000 0.330 355 A C -1.714 175.678 177.584 -0.320 0.000 1.165 355 A CA -0.429 51.558 52.037 -0.084 0.000 0.813 355 A CB 0.193 19.165 19.000 -0.048 0.000 1.197 355 A HN 0.550 nan 8.150 nan 0.000 0.484 356 F N 0.414 120.372 119.950 0.014 0.000 2.540 356 F HA 0.495 5.022 4.527 -0.000 0.000 0.317 356 F C -0.499 175.337 175.800 0.061 0.000 1.104 356 F CA -0.410 57.628 58.000 0.063 0.000 0.913 356 F CB 1.959 41.014 39.000 0.092 0.000 1.170 356 F HN 0.507 nan 8.300 nan 0.000 0.450 357 F N 4.035 124.227 119.950 0.404 0.000 2.391 357 F HA 0.255 4.782 4.527 -0.000 0.000 0.359 357 F C 0.813 176.879 175.800 0.443 0.000 1.122 357 F CA -0.425 57.811 58.000 0.393 0.000 1.120 357 F CB 0.621 39.883 39.000 0.437 0.000 1.142 357 F HN 0.617 nan 8.300 nan 0.000 0.483 358 N N 1.811 120.820 118.700 0.515 0.000 1.276 358 N HA -0.360 4.380 4.740 -0.000 0.000 0.137 358 N C 0.479 176.139 175.510 0.250 0.000 0.642 358 N CA 1.916 55.159 53.050 0.321 0.000 0.986 358 N CB -0.882 37.794 38.487 0.314 0.000 1.277 358 N HN 0.710 nan 8.380 nan 0.000 0.495 359 N N 1.887 120.697 118.700 0.185 0.000 2.273 359 N HA 0.300 5.040 4.740 -0.000 0.000 0.231 359 N C -0.390 175.279 175.510 0.264 0.000 1.134 359 N CA 0.135 53.261 53.050 0.126 0.000 0.856 359 N CB 0.008 38.509 38.487 0.023 0.000 1.068 359 N HN 0.587 nan 8.380 nan 0.000 0.510 360 I N 0.647 121.413 120.570 0.327 0.000 2.436 360 I HA 0.249 4.419 4.170 -0.000 0.000 0.289 360 I C -0.567 175.673 176.117 0.204 0.000 1.010 360 I CA -0.698 60.711 61.300 0.182 0.000 1.098 360 I CB 2.097 39.982 38.000 -0.193 0.000 1.266 360 I HN -0.137 nan 8.210 nan 0.000 0.434 361 T N 4.500 119.016 114.554 -0.063 0.000 2.799 361 T HA 0.199 4.549 4.350 -0.000 0.000 0.286 361 T C -0.423 174.272 174.700 -0.009 0.000 0.973 361 T CA -0.332 61.630 62.100 -0.230 0.000 1.035 361 T CB 0.527 69.066 68.868 -0.548 0.000 0.932 361 T HN 0.312 nan 8.240 nan 0.000 0.469 362 Y N 3.545 123.882 120.300 0.061 0.000 2.729 362 Y HA 0.194 4.744 4.550 -0.000 0.000 0.331 362 Y C 0.073 175.999 175.900 0.043 0.000 1.208 362 Y CA 0.140 58.324 58.100 0.141 0.000 1.521 362 Y CB -0.016 38.621 38.460 0.294 0.000 1.233 362 Y HN 0.611 nan 8.280 nan 0.000 0.539 363 T N 6.998 121.094 114.554 -0.762 0.000 2.864 363 T HA 0.630 4.979 4.350 -0.000 0.000 0.299 363 T C -0.185 173.964 174.700 -0.918 0.000 1.011 363 T CA -0.413 61.286 62.100 -0.669 0.000 0.975 363 T CB 0.755 69.401 68.868 -0.370 0.000 0.962 363 T HN 0.921 nan 8.240 nan 0.000 0.448 364 A N 5.790 128.094 122.820 -0.859 0.000 2.587 364 A HA 0.439 4.759 4.320 -0.000 0.000 0.235 364 A C -1.759 175.536 177.584 -0.480 0.000 1.044 364 A CA -0.592 51.094 52.037 -0.586 0.000 0.754 364 A CB -0.396 18.341 19.000 -0.438 0.000 0.968 364 A HN 0.539 nan 8.150 nan 0.000 0.509 365 P HA 0.300 nan 4.420 nan 0.000 0.279 365 P C 0.100 177.256 177.300 -0.240 0.000 1.276 365 P CA -0.488 62.492 63.100 -0.199 0.000 0.801 365 P CB 0.820 32.505 31.700 -0.026 0.000 1.127 366 K N -0.850 119.489 120.400 -0.101 0.000 2.296 366 K HA 0.115 4.435 4.320 -0.000 0.000 0.200 366 K C 0.017 176.706 176.600 0.149 0.000 1.048 366 K CA 0.752 57.025 56.287 -0.023 0.000 0.966 366 K CB 0.062 32.549 32.500 -0.022 0.000 0.754 366 K HN 0.212 nan 8.250 nan 0.000 0.466 367 V N 2.087 122.097 119.914 0.161 0.000 2.686 367 V HA 0.225 4.345 4.120 -0.000 0.000 0.306 367 V C -2.605 173.617 176.094 0.213 0.000 1.065 367 V CA -2.531 59.875 62.300 0.177 0.000 0.894 367 V CB 1.686 33.550 31.823 0.068 0.000 1.004 367 V HN -0.074 nan 8.190 nan 0.000 0.424 368 P HA 0.076 nan 4.420 nan 0.000 0.264 368 P C 1.115 178.454 177.300 0.064 0.000 1.183 368 P CA 0.398 63.555 63.100 0.096 0.000 0.763 368 P CB 0.467 32.109 31.700 -0.095 0.000 0.807 369 T N 2.541 117.133 114.554 0.063 0.000 2.597 369 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 369 T C 1.622 176.354 174.700 0.053 0.000 1.053 369 T CA 1.474 63.624 62.100 0.084 0.000 1.165 369 T CB -0.728 68.135 68.868 -0.009 0.000 0.863 369 T HN 0.296 nan 8.240 nan 0.000 0.427 370 L N 0.284 121.475 121.223 -0.054 0.000 2.042 370 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 370 L C 2.270 179.115 176.870 -0.043 0.000 1.076 370 L CA 1.792 56.583 54.840 -0.081 0.000 0.749 370 L CB -0.686 41.280 42.059 -0.155 0.000 0.893 370 L HN 0.146 nan 8.230 nan 0.000 0.432 371 M N -0.923 118.651 119.600 -0.043 0.000 2.213 371 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 371 M C 2.246 178.537 176.300 -0.014 0.000 1.062 371 M CA 2.132 57.412 55.300 -0.034 0.000 1.105 371 M CB -1.031 31.546 32.600 -0.038 0.000 1.385 371 M HN 0.593 nan 8.290 nan 0.000 0.417 372 T N -2.317 112.240 114.554 0.005 0.000 2.896 372 T HA -0.042 4.308 4.350 -0.000 0.000 0.263 372 T C 1.880 176.565 174.700 -0.025 0.000 1.050 372 T CA 1.149 63.232 62.100 -0.029 0.000 1.140 372 T CB -0.884 67.935 68.868 -0.081 0.000 0.877 372 T HN 0.242 nan 8.240 nan 0.000 0.457 373 V N 1.327 121.282 119.914 0.069 0.000 2.392 373 V HA 0.043 4.163 4.120 -0.000 0.000 0.249 373 V C 2.294 178.402 176.094 0.023 0.000 1.059 373 V CA 1.732 64.080 62.300 0.080 0.000 1.051 373 V CB -0.871 31.022 31.823 0.118 0.000 0.658 373 V HN 0.599 nan 8.190 nan 0.000 0.455 374 L N 1.236 122.461 121.223 0.003 0.000 2.610 374 L HA 0.114 4.454 4.340 -0.000 0.000 0.232 374 L C 1.632 178.500 176.870 -0.003 0.000 1.149 374 L CA 1.065 55.903 54.840 -0.004 0.000 0.872 374 L CB -0.207 41.839 42.059 -0.023 0.000 0.992 374 L HN 0.705 nan 8.230 nan 0.000 0.447 375 S N -3.894 111.801 115.700 -0.008 0.000 2.993 375 S HA 0.050 4.520 4.470 -0.000 0.000 0.257 375 S C 1.153 175.742 174.600 -0.018 0.000 0.997 375 S CA 0.042 58.236 58.200 -0.011 0.000 1.191 375 S CB 0.211 63.400 63.200 -0.017 0.000 1.143 375 S HN 0.250 nan 8.310 nan 0.000 0.655 376 S N 0.647 116.335 115.700 -0.019 0.000 2.535 376 S HA 0.550 5.020 4.470 -0.000 0.000 0.214 376 S C 1.640 176.251 174.600 0.018 0.000 0.980 376 S CA 0.462 58.643 58.200 -0.032 0.000 0.907 376 S CB -0.431 62.714 63.200 -0.091 0.000 0.790 376 S HN 1.375 nan 8.310 nan 0.000 0.510 377 G N 2.917 111.746 108.800 0.050 0.000 2.602 377 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.310 377 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.310 377 G C 0.209 175.218 174.900 0.182 0.000 1.183 377 G CA 0.694 45.846 45.100 0.087 0.000 0.979 377 G HN 0.461 nan 8.290 nan 0.000 0.545 378 D N 1.356 121.848 120.400 0.153 0.000 2.340 378 D HA 0.131 4.771 4.640 -0.000 0.000 0.220 378 D C 2.200 178.665 176.300 0.275 0.000 1.039 378 D CA 0.540 54.681 54.000 0.234 0.000 0.866 378 D CB 0.274 41.112 40.800 0.063 0.000 0.913 378 D HN 0.571 nan 8.370 nan 0.000 0.523 379 Q N -0.202 119.689 119.800 0.151 0.000 2.280 379 Q HA 0.232 4.572 4.340 -0.000 0.000 0.201 379 Q C 1.561 177.573 176.000 0.019 0.000 0.890 379 Q CA -0.146 55.701 55.803 0.073 0.000 0.947 379 Q CB 0.697 29.436 28.738 0.002 0.000 1.081 379 Q HN 0.131 nan 8.270 nan 0.000 0.502 380 A N 1.172 124.011 122.820 0.030 0.000 2.121 380 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 380 A C 1.733 179.254 177.584 -0.105 0.000 1.154 380 A CA 1.221 53.222 52.037 -0.059 0.000 0.679 380 A CB -0.230 18.703 19.000 -0.112 0.000 0.795 380 A HN 0.222 nan 8.150 nan 0.000 0.458 381 N N 0.171 118.771 118.700 -0.167 0.000 2.422 381 N HA -0.048 4.692 4.740 -0.000 0.000 0.181 381 N C 0.158 175.686 175.510 0.030 0.000 1.080 381 N CA 0.098 53.073 53.050 -0.126 0.000 0.893 381 N CB -0.326 38.149 38.487 -0.020 0.000 0.973 381 N HN 0.368 nan 8.380 nan 0.000 0.456 382 N N 0.074 118.808 118.700 0.056 0.000 2.401 382 N HA 0.014 4.754 4.740 -0.000 0.000 0.255 382 N C 0.893 176.469 175.510 0.109 0.000 1.110 382 N CA 0.105 53.188 53.050 0.055 0.000 0.949 382 N CB 0.812 39.309 38.487 0.018 0.000 1.110 382 N HN 0.149 nan 8.380 nan 0.000 0.490 383 S N 2.535 118.306 115.700 0.118 0.000 2.419 383 S HA -0.178 4.291 4.470 -0.000 0.000 0.233 383 S C 1.429 176.124 174.600 0.157 0.000 1.016 383 S CA 0.991 59.298 58.200 0.178 0.000 0.974 383 S CB -0.325 62.910 63.200 0.057 0.000 0.786 383 S HN 0.758 nan 8.310 nan 0.000 0.492 384 E N 1.482 121.714 120.200 0.054 0.000 2.118 384 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 384 E C 1.953 178.538 176.600 -0.026 0.000 0.992 384 E CA 1.601 58.005 56.400 0.008 0.000 0.804 384 E CB -0.435 29.257 29.700 -0.013 0.000 0.741 384 E HN 0.928 nan 8.360 nan 0.000 0.458 385 I N -2.239 118.268 120.570 -0.105 0.000 2.830 385 I HA -0.144 4.026 4.170 -0.000 0.000 0.263 385 I C 1.170 177.109 176.117 -0.296 0.000 1.230 385 I CA 0.878 62.033 61.300 -0.242 0.000 1.480 385 I CB -0.258 37.517 38.000 -0.374 0.000 1.095 385 I HN -0.000 nan 8.210 nan 0.000 0.455 386 Y N 2.446 122.726 120.300 -0.033 0.000 2.490 386 Y HA 0.494 5.044 4.550 -0.000 0.000 0.281 386 Y C 1.417 177.303 175.900 -0.023 0.000 1.174 386 Y CA 0.308 58.393 58.100 -0.026 0.000 1.295 386 Y CB -0.086 38.360 38.460 -0.024 0.000 1.062 386 Y HN 0.383 nan 8.280 nan 0.000 0.522 387 G N -0.272 108.572 108.800 0.075 0.000 2.587 387 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 387 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 387 G C 0.437 175.344 174.900 0.011 0.000 1.236 387 G CA -0.258 44.855 45.100 0.021 0.000 0.820 387 G HN 0.236 nan 8.290 nan 0.000 0.645 388 S N -0.963 114.723 115.700 -0.023 0.000 2.470 388 S HA 0.105 4.575 4.470 -0.000 0.000 0.222 388 S C 1.176 175.743 174.600 -0.055 0.000 1.024 388 S CA 1.038 59.214 58.200 -0.040 0.000 0.931 388 S CB 0.271 63.444 63.200 -0.046 0.000 0.791 388 S HN 0.719 nan 8.310 nan 0.000 0.513 389 N N 0.215 118.879 118.700 -0.059 0.000 2.321 389 N HA 0.277 5.017 4.740 -0.000 0.000 0.242 389 N C 0.524 175.992 175.510 -0.070 0.000 1.141 389 N CA 0.135 53.135 53.050 -0.083 0.000 0.864 389 N CB 0.478 38.893 38.487 -0.121 0.000 1.100 389 N HN 0.262 nan 8.380 nan 0.000 0.510 390 T N -1.822 112.750 114.554 0.030 0.000 2.975 390 T HA 0.058 4.408 4.350 -0.000 0.000 0.257 390 T C -0.125 174.816 174.700 0.401 0.000 1.003 390 T CA -0.029 62.161 62.100 0.150 0.000 0.932 390 T CB -0.130 68.808 68.868 0.117 0.000 1.087 390 T HN 0.405 nan 8.240 nan 0.000 0.512 391 H N 1.497 120.671 119.070 0.173 0.000 2.592 391 H HA -0.126 4.430 4.556 -0.000 0.000 0.323 391 H C -0.912 174.481 175.328 0.109 0.000 1.117 391 H CA 0.376 56.518 56.048 0.156 0.000 1.120 391 H CB -0.971 29.009 29.762 0.363 0.000 1.561 391 H HN 0.187 nan 8.280 nan 0.000 0.409 392 T N 2.232 116.830 114.554 0.074 0.000 2.799 392 T HA 0.425 4.775 4.350 -0.000 0.000 0.286 392 T C -0.242 174.307 174.700 -0.252 0.000 0.973 392 T CA -0.293 61.804 62.100 -0.005 0.000 1.035 392 T CB 0.537 69.384 68.868 -0.035 0.000 0.932 392 T HN 0.220 nan 8.240 nan 0.000 0.469 393 F N 2.211 122.152 119.950 -0.016 0.000 2.508 393 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 393 F C 0.241 176.009 175.800 -0.054 0.000 1.090 393 F CA -1.235 56.759 58.000 -0.009 0.000 0.945 393 F CB 1.176 40.144 39.000 -0.054 0.000 1.156 393 F HN 0.317 nan 8.300 nan 0.000 0.463 394 I N 4.179 124.849 120.570 0.167 0.000 2.336 394 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 394 I C -0.788 175.420 176.117 0.152 0.000 0.991 394 I CA -0.553 60.783 61.300 0.060 0.000 1.227 394 I CB 1.189 39.182 38.000 -0.012 0.000 1.366 394 I HN 0.323 nan 8.210 nan 0.000 0.466 395 L N 5.666 126.943 121.223 0.089 0.000 2.317 395 L HA 0.478 4.818 4.340 -0.000 0.000 0.281 395 L C 0.165 177.065 176.870 0.050 0.000 1.024 395 L CA -0.900 54.004 54.840 0.106 0.000 0.810 395 L CB 1.180 43.273 42.059 0.057 0.000 1.240 395 L HN 0.489 nan 8.230 nan 0.000 0.427 396 E N 1.776 122.000 120.200 0.040 0.000 2.318 396 E HA 0.101 4.451 4.350 -0.000 0.000 0.265 396 E C 0.635 177.242 176.600 0.012 0.000 1.069 396 E CA -0.376 56.035 56.400 0.018 0.000 0.893 396 E CB 1.152 30.854 29.700 0.003 0.000 1.076 396 E HN 0.498 nan 8.360 nan 0.000 0.414 397 K N 0.882 121.301 120.400 0.030 0.000 2.056 397 K HA -0.251 4.069 4.320 -0.000 0.000 0.225 397 K C 0.587 177.193 176.600 0.010 0.000 1.053 397 K CA 2.081 58.390 56.287 0.035 0.000 0.966 397 K CB -0.035 32.493 32.500 0.046 0.000 0.735 397 K HN 0.255 nan 8.250 nan 0.000 0.455 398 D N 0.801 121.189 120.400 -0.019 0.000 2.620 398 D HA 0.046 4.686 4.640 -0.000 0.000 0.260 398 D C -0.614 175.620 176.300 -0.111 0.000 1.367 398 D CA -0.108 53.861 54.000 -0.052 0.000 0.805 398 D CB 0.328 41.105 40.800 -0.039 0.000 1.096 398 D HN 0.475 nan 8.370 nan 0.000 0.488 399 E N 0.248 120.380 120.200 -0.113 0.000 2.418 399 E HA 0.138 4.488 4.350 -0.000 0.000 0.261 399 E C -0.054 176.380 176.600 -0.276 0.000 1.070 399 E CA -0.114 56.195 56.400 -0.152 0.000 0.931 399 E CB 1.241 30.879 29.700 -0.102 0.000 0.954 399 E HN 0.039 nan 8.360 nan 0.000 0.439 400 I N 2.639 123.038 120.570 -0.286 0.000 2.337 400 I HA 0.072 4.242 4.170 -0.000 0.000 0.291 400 I C -0.587 175.277 176.117 -0.422 0.000 1.046 400 I CA -0.563 60.488 61.300 -0.415 0.000 1.324 400 I CB 1.121 38.930 38.000 -0.319 0.000 1.409 400 I HN 0.346 nan 8.210 nan 0.000 0.494 401 V N 6.450 125.947 119.914 -0.694 0.000 2.472 401 V HA 0.367 4.487 4.120 -0.000 0.000 0.290 401 V C -0.027 175.684 176.094 -0.638 0.000 1.037 401 V CA -0.639 61.217 62.300 -0.741 0.000 0.908 401 V CB 1.657 32.783 31.823 -1.162 0.000 0.985 401 V HN 0.729 nan 8.190 nan 0.000 0.454 402 E N 4.262 124.195 120.200 -0.446 0.000 2.199 402 E HA 0.561 4.911 4.350 -0.000 0.000 0.265 402 E C -1.494 174.878 176.600 -0.380 0.000 0.882 402 E CA -0.674 55.514 56.400 -0.353 0.000 0.759 402 E CB 1.673 31.213 29.700 -0.267 0.000 1.148 402 E HN 0.659 nan 8.360 nan 0.000 0.412 403 I N 4.693 125.036 120.570 -0.379 0.000 2.321 403 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 403 I C -0.684 175.240 176.117 -0.323 0.000 0.998 403 I CA -0.920 60.111 61.300 -0.449 0.000 1.227 403 I CB 1.653 39.265 38.000 -0.646 0.000 1.368 403 I HN 0.340 nan 8.210 nan 0.000 0.466 404 V N 7.839 127.572 119.914 -0.301 0.000 2.350 404 V HA 0.359 4.478 4.120 -0.000 0.000 0.276 404 V C -0.216 175.726 176.094 -0.252 0.000 1.028 404 V CA -0.553 61.612 62.300 -0.225 0.000 0.860 404 V CB 1.632 33.399 31.823 -0.093 0.000 0.990 404 V HN 0.481 nan 8.190 nan 0.000 0.453 405 L N 5.807 126.825 121.223 -0.342 0.000 2.325 405 L HA 0.625 4.965 4.340 -0.000 0.000 0.281 405 L C -0.456 176.227 176.870 -0.312 0.000 1.004 405 L CA -0.230 54.330 54.840 -0.467 0.000 0.823 405 L CB 1.257 42.728 42.059 -0.979 0.000 1.236 405 L HN 0.558 nan 8.230 nan 0.000 0.415 406 N N 3.671 122.297 118.700 -0.123 0.000 2.511 406 N HA 0.176 4.916 4.740 -0.000 0.000 0.249 406 N C -0.948 174.579 175.510 0.029 0.000 0.971 406 N CA -0.480 52.565 53.050 -0.009 0.000 0.938 406 N CB 1.221 39.733 38.487 0.041 0.000 1.131 406 N HN 0.513 nan 8.380 nan 0.000 0.505 407 N N 1.309 120.049 118.700 0.066 0.000 2.416 407 N HA -0.013 4.727 4.740 -0.000 0.000 0.265 407 N C 0.606 176.194 175.510 0.130 0.000 1.195 407 N CA 0.315 53.444 53.050 0.131 0.000 0.943 407 N CB 0.801 39.429 38.487 0.235 0.000 1.115 407 N HN 0.377 nan 8.380 nan 0.000 0.481 408 Q N 1.375 121.240 119.800 0.108 0.000 2.319 408 Q HA 0.153 4.493 4.340 -0.000 0.000 0.202 408 Q C -0.778 175.288 176.000 0.110 0.000 0.896 408 Q CA 0.056 55.911 55.803 0.086 0.000 0.942 408 Q CB 0.250 29.026 28.738 0.062 0.000 1.083 408 Q HN 0.702 nan 8.270 nan 0.000 0.510 409 D N -1.937 118.558 120.400 0.158 0.000 2.229 409 D HA 0.069 4.709 4.640 -0.000 0.000 0.249 409 D C 0.658 177.097 176.300 0.232 0.000 1.027 409 D CA -0.143 53.976 54.000 0.198 0.000 0.923 409 D CB 1.367 42.326 40.800 0.265 0.000 1.174 409 D HN 0.071 nan 8.370 nan 0.000 0.443 410 T N -0.116 114.556 114.554 0.196 0.000 3.219 410 T HA 0.335 4.685 4.350 -0.000 0.000 0.249 410 T C 0.834 175.645 174.700 0.186 0.000 1.099 410 T CA -0.270 61.939 62.100 0.181 0.000 0.988 410 T CB -0.353 68.598 68.868 0.138 0.000 0.999 410 T HN 0.284 nan 8.240 nan 0.000 0.550 411 G N 0.052 108.983 108.800 0.218 0.000 2.552 411 G HA2 0.555 4.515 3.960 -0.000 0.000 0.324 411 G HA3 0.555 4.515 3.960 -0.000 0.000 0.324 411 G C -0.875 174.079 174.900 0.090 0.000 1.217 411 G CA -0.699 44.470 45.100 0.116 0.000 0.989 411 G HN 0.236 nan 8.290 nan 0.000 0.490 412 T N 1.053 115.604 114.554 -0.006 0.000 2.845 412 T HA 0.469 4.819 4.350 -0.000 0.000 0.288 412 T C -0.685 173.947 174.700 -0.114 0.000 0.980 412 T CA 0.002 62.145 62.100 0.073 0.000 1.071 412 T CB 0.393 69.294 68.868 0.055 0.000 0.941 412 T HN 0.419 nan 8.240 nan 0.000 0.487 413 H N 3.254 122.500 119.070 0.294 0.000 2.667 413 H HA 0.312 4.868 4.556 -0.000 0.000 0.353 413 H C -2.725 172.698 175.328 0.158 0.000 1.072 413 H CA -2.079 54.051 56.048 0.136 0.000 1.214 413 H CB 2.333 32.052 29.762 -0.071 0.000 1.600 413 H HN 0.335 nan 8.280 nan 0.000 0.527 414 P HA 0.229 nan 4.420 nan 0.000 0.291 414 P C -0.709 176.641 177.300 0.084 0.000 1.378 414 P CA -0.388 62.864 63.100 0.252 0.000 0.853 414 P CB -0.074 31.755 31.700 0.214 0.000 1.002 415 F N 2.828 122.996 119.950 0.362 0.000 2.385 415 F HA 0.414 4.941 4.527 -0.000 0.000 0.336 415 F C 1.299 177.198 175.800 0.164 0.000 1.100 415 F CA 0.128 58.212 58.000 0.140 0.000 1.116 415 F CB 0.918 39.986 39.000 0.113 0.000 1.166 415 F HN 0.403 nan 8.300 nan 0.000 0.511 416 H N 2.803 121.884 119.070 0.017 0.000 2.637 416 H HA 0.646 5.202 4.556 -0.000 0.000 0.363 416 H C -1.950 173.450 175.328 0.121 0.000 1.131 416 H CA -1.092 55.040 56.048 0.140 0.000 1.183 416 H CB 1.751 31.631 29.762 0.195 0.000 1.637 416 H HN 0.562 nan 8.280 nan 0.000 0.531 417 L N 5.329 126.365 121.223 -0.310 0.000 2.325 417 L HA 0.343 4.682 4.340 -0.000 0.000 0.281 417 L C -0.845 175.784 176.870 -0.400 0.000 1.004 417 L CA -0.277 54.508 54.840 -0.092 0.000 0.823 417 L CB 0.809 43.006 42.059 0.229 0.000 1.236 417 L HN 0.797 nan 8.230 nan 0.000 0.415 418 H N 3.847 122.728 119.070 -0.315 0.000 2.690 418 H HA 0.289 4.845 4.556 -0.000 0.000 0.365 418 H C 1.008 175.999 175.328 -0.562 0.000 1.142 418 H CA 0.711 56.650 56.048 -0.182 0.000 1.417 418 H CB 1.051 30.926 29.762 0.188 0.000 1.446 418 H HN 0.960 nan 8.280 nan 0.000 0.599 419 G N 1.668 109.993 108.800 -0.791 0.000 2.212 419 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.266 419 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.266 419 G C 0.057 174.072 174.900 -1.475 0.000 0.978 419 G CA 0.335 44.332 45.100 -1.839 0.000 0.632 419 G HN 0.793 nan 8.290 nan 0.000 0.537 420 H N -0.693 118.020 119.070 -0.596 0.000 3.012 420 H HA 0.654 5.210 4.556 -0.000 0.000 0.367 420 H C -0.191 175.026 175.328 -0.184 0.000 1.211 420 H CA -0.133 55.557 56.048 -0.597 0.000 1.139 420 H CB 1.684 31.023 29.762 -0.704 0.000 1.838 420 H HN 0.663 nan 8.280 nan 0.000 0.550 421 A N 2.665 125.479 122.820 -0.010 0.000 2.249 421 A HA 0.543 4.863 4.320 -0.000 0.000 0.314 421 A C -0.439 177.058 177.584 -0.145 0.000 1.290 421 A CA -0.656 51.322 52.037 -0.099 0.000 0.893 421 A CB -0.491 18.555 19.000 0.078 0.000 1.165 421 A HN 0.466 nan 8.150 nan 0.000 0.530 422 F N 0.360 120.297 119.950 -0.021 0.000 2.380 422 F HA 0.612 5.139 4.527 -0.000 0.000 0.321 422 F C 0.376 176.166 175.800 -0.017 0.000 1.103 422 F CA -1.065 56.928 58.000 -0.013 0.000 1.067 422 F CB 0.809 39.765 39.000 -0.074 0.000 1.265 422 F HN 0.514 nan 8.300 nan 0.000 0.517 423 Q N 0.860 120.821 119.800 0.268 0.000 2.279 423 Q HA 0.271 4.611 4.340 -0.000 0.000 0.256 423 Q C -0.805 175.247 176.000 0.086 0.000 0.937 423 Q CA -0.447 55.401 55.803 0.075 0.000 0.933 423 Q CB 1.312 30.018 28.738 -0.054 0.000 1.189 423 Q HN 0.656 nan 8.270 nan 0.000 0.417 424 T N 3.626 118.184 114.554 0.007 0.000 2.747 424 T HA 0.220 4.570 4.350 -0.000 0.000 0.301 424 T C 1.170 175.792 174.700 -0.129 0.000 0.952 424 T CA -0.206 61.870 62.100 -0.039 0.000 0.983 424 T CB -0.053 68.791 68.868 -0.039 0.000 0.930 424 T HN 0.594 nan 8.240 nan 0.000 0.494 425 I N 0.673 121.193 120.570 -0.085 0.000 3.708 425 I HA 0.380 4.550 4.170 -0.000 0.000 0.302 425 I C 0.551 176.850 176.117 0.304 0.000 1.255 425 I CA -0.121 61.134 61.300 -0.075 0.000 1.362 425 I CB 0.424 38.127 38.000 -0.494 0.000 1.100 425 I HN 0.419 nan 8.210 nan 0.000 0.434 426 Q N 1.906 121.869 119.800 0.273 0.000 2.309 426 Q HA 0.462 4.802 4.340 -0.000 0.000 0.273 426 Q C -1.219 174.922 176.000 0.234 0.000 1.040 426 Q CA -0.834 55.166 55.803 0.328 0.000 0.834 426 Q CB 2.059 30.985 28.738 0.314 0.000 1.345 426 Q HN 0.306 nan 8.270 nan 0.000 0.414 427 R N 3.629 124.158 120.500 0.049 0.000 2.797 427 R HA 0.201 4.541 4.340 -0.000 0.000 0.274 427 R C -1.392 174.913 176.300 0.007 0.000 1.652 427 R CA -0.378 55.783 56.100 0.101 0.000 1.175 427 R CB 0.956 31.313 30.300 0.094 0.000 1.283 427 R HN 0.822 nan 8.270 nan 0.000 0.513 428 D N 2.412 122.893 120.400 0.135 0.000 2.363 428 D HA 0.013 4.653 4.640 -0.000 0.000 0.240 428 D C 0.337 176.670 176.300 0.055 0.000 1.236 428 D CA 0.039 54.110 54.000 0.118 0.000 0.927 428 D CB 0.879 41.847 40.800 0.280 0.000 1.150 428 D HN 0.508 nan 8.370 nan 0.000 0.458 429 R N -0.188 120.265 120.500 -0.078 0.000 2.801 429 R HA 0.218 4.558 4.340 -0.000 0.000 0.273 429 R C -0.144 175.999 176.300 -0.261 0.000 1.080 429 R CA -0.385 55.613 56.100 -0.169 0.000 1.197 429 R CB -0.309 29.836 30.300 -0.257 0.000 1.109 429 R HN 0.186 nan 8.270 nan 0.000 0.535 430 T N 1.583 116.043 114.554 -0.157 0.000 2.888 430 T HA 0.077 4.427 4.350 -0.000 0.000 0.301 430 T C -0.895 173.651 174.700 -0.257 0.000 1.001 430 T CA 0.323 62.373 62.100 -0.084 0.000 1.147 430 T CB -0.030 68.854 68.868 0.027 0.000 0.931 430 T HN 0.364 nan 8.240 nan 0.000 0.541 431 Y N 2.065 122.455 120.300 0.150 0.000 2.593 431 Y HA 0.248 4.798 4.550 -0.000 0.000 0.331 431 Y C 0.507 176.486 175.900 0.132 0.000 0.986 431 Y CA -1.117 57.075 58.100 0.154 0.000 1.262 431 Y CB 0.607 39.203 38.460 0.227 0.000 1.098 431 Y HN 0.512 nan 8.280 nan 0.000 0.506 432 D N 3.249 123.770 120.400 0.202 0.000 2.325 432 D HA -0.053 4.587 4.640 -0.000 0.000 0.251 432 D C 0.963 177.349 176.300 0.143 0.000 1.196 432 D CA 0.030 54.118 54.000 0.146 0.000 0.866 432 D CB 0.719 41.579 40.800 0.099 0.000 1.101 432 D HN 0.721 nan 8.370 nan 0.000 0.476 433 D N 2.928 123.407 120.400 0.131 0.000 2.277 433 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 433 D C 1.320 177.670 176.300 0.083 0.000 0.962 433 D CA 0.311 54.376 54.000 0.108 0.000 0.865 433 D CB 0.205 41.065 40.800 0.100 0.000 0.939 433 D HN 0.333 nan 8.370 nan 0.000 0.510 434 A N 0.958 123.825 122.820 0.079 0.000 2.015 434 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 434 A C 2.400 180.020 177.584 0.059 0.000 1.163 434 A CA 0.594 52.669 52.037 0.062 0.000 0.646 434 A CB -0.593 18.441 19.000 0.058 0.000 0.806 434 A HN 0.316 nan 8.150 nan 0.000 0.448 435 L N -1.417 119.847 121.223 0.069 0.000 2.591 435 L HA 0.252 4.591 4.340 -0.000 0.000 0.228 435 L C 1.562 178.475 176.870 0.071 0.000 1.133 435 L CA 0.528 55.407 54.840 0.065 0.000 0.880 435 L CB -0.047 42.054 42.059 0.069 0.000 1.033 435 L HN 0.541 nan 8.230 nan 0.000 0.450 436 G N -0.102 108.743 108.800 0.076 0.000 2.157 436 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.239 436 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.239 436 G C 0.034 174.987 174.900 0.088 0.000 0.982 436 G CA -0.377 44.765 45.100 0.070 0.000 0.650 436 G HN 0.431 nan 8.290 nan 0.000 0.527 437 E N 0.147 120.422 120.200 0.125 0.000 2.343 437 E HA 0.494 4.844 4.350 -0.000 0.000 0.269 437 E C 0.875 177.553 176.600 0.129 0.000 1.047 437 E CA -0.146 56.358 56.400 0.173 0.000 0.874 437 E CB 1.952 31.822 29.700 0.284 0.000 1.033 437 E HN 0.622 nan 8.360 nan 0.000 0.409 438 V N -0.223 119.728 119.914 0.062 0.000 3.096 438 V HA 0.481 4.601 4.120 -0.000 0.000 0.319 438 V C -2.468 173.495 176.094 -0.219 0.000 1.082 438 V CA -2.811 59.441 62.300 -0.079 0.000 1.022 438 V CB 0.750 32.477 31.823 -0.161 0.000 1.103 438 V HN 0.492 nan 8.190 nan 0.000 0.455 439 P HA 0.316 nan 4.420 nan 0.000 0.268 439 P C -1.192 175.773 177.300 -0.558 0.000 1.205 439 P CA 0.475 63.445 63.100 -0.217 0.000 0.771 439 P CB 0.001 31.651 31.700 -0.083 0.000 0.858 440 H N -0.260 118.630 119.070 -0.300 0.000 2.547 440 H HA 0.405 4.961 4.556 -0.000 0.000 0.342 440 H C -0.018 175.272 175.328 -0.062 0.000 1.048 440 H CA -0.344 55.534 56.048 -0.282 0.000 1.204 440 H CB 1.224 30.622 29.762 -0.607 0.000 1.493 440 H HN 0.244 nan 8.280 nan 0.000 0.511 441 S N 1.986 117.730 115.700 0.074 0.000 2.632 441 S HA 0.153 4.623 4.470 -0.000 0.000 0.267 441 S C -0.309 174.405 174.600 0.190 0.000 1.276 441 S CA -0.707 57.565 58.200 0.120 0.000 0.998 441 S CB 0.527 63.772 63.200 0.074 0.000 0.953 441 S HN 0.458 nan 8.310 nan 0.000 0.547 442 F N 2.621 122.622 119.950 0.084 0.000 2.538 442 F HA 0.191 4.718 4.527 -0.000 0.000 0.371 442 F C 0.291 176.151 175.800 0.101 0.000 1.087 442 F CA -0.326 57.738 58.000 0.106 0.000 1.250 442 F CB 0.336 39.389 39.000 0.089 0.000 1.110 442 F HN 0.350 nan 8.300 nan 0.000 0.570 443 D N 8.610 128.611 120.400 -0.665 0.000 2.425 443 D HA 0.273 4.913 4.640 -0.000 0.000 0.240 443 D C -1.875 173.917 176.300 -0.846 0.000 1.080 443 D CA -2.231 51.438 54.000 -0.552 0.000 0.836 443 D CB 2.123 42.788 40.800 -0.224 0.000 1.125 443 D HN 0.267 nan 8.370 nan 0.000 0.525 444 P HA -0.081 nan 4.420 nan 0.000 0.222 444 P C 0.249 177.558 177.300 0.015 0.000 1.147 444 P CA 0.798 63.787 63.100 -0.186 0.000 0.790 444 P CB 0.690 32.419 31.700 0.047 0.000 0.780 445 D N -1.211 119.139 120.400 -0.083 0.000 2.333 445 D HA 0.003 4.643 4.640 -0.000 0.000 0.208 445 D C 0.478 176.691 176.300 -0.145 0.000 0.984 445 D CA 0.869 54.823 54.000 -0.076 0.000 0.873 445 D CB -0.315 40.448 40.800 -0.062 0.000 0.935 445 D HN 0.163 nan 8.370 nan 0.000 0.521 446 N N 0.264 118.862 118.700 -0.170 0.000 2.621 446 N HA 0.189 4.929 4.740 -0.000 0.000 0.271 446 N C -1.809 173.620 175.510 -0.135 0.000 1.181 446 N CA -0.520 52.421 53.050 -0.182 0.000 0.805 446 N CB 0.316 38.737 38.487 -0.110 0.000 1.351 446 N HN 0.060 nan 8.380 nan 0.000 0.539 447 H N -0.016 118.971 119.070 -0.138 0.000 3.068 447 H HA 0.648 5.204 4.556 -0.000 0.000 0.342 447 H C -2.878 172.386 175.328 -0.107 0.000 1.284 447 H CA -1.498 54.501 56.048 -0.081 0.000 1.181 447 H CB -0.348 29.410 29.762 -0.006 0.000 1.898 447 H HN 0.140 nan 8.280 nan 0.000 0.540 448 P HA 0.291 nan 4.420 nan 0.000 0.268 448 P C -0.309 176.999 177.300 0.014 0.000 1.208 448 P CA -0.038 63.084 63.100 0.038 0.000 0.777 448 P CB 0.329 32.086 31.700 0.094 0.000 0.875 449 A N 2.553 125.353 122.820 -0.033 0.000 2.546 449 A HA 0.164 4.484 4.320 -0.000 0.000 0.243 449 A C 0.111 177.733 177.584 0.062 0.000 1.063 449 A CA -0.093 51.917 52.037 -0.044 0.000 0.757 449 A CB -0.896 18.111 19.000 0.012 0.000 0.991 449 A HN 0.442 nan 8.150 nan 0.000 0.503 450 F N 3.163 123.249 119.950 0.227 0.000 2.490 450 F HA 0.279 4.806 4.527 -0.000 0.000 0.336 450 F C -1.043 174.829 175.800 0.119 0.000 1.178 450 F CA -1.284 56.816 58.000 0.168 0.000 1.301 450 F CB 0.203 39.260 39.000 0.095 0.000 1.175 450 F HN 0.451 nan 8.300 nan 0.000 0.593 451 P HA 0.050 nan 4.420 nan 0.000 0.272 451 P C -0.216 177.111 177.300 0.045 0.000 1.223 451 P CA -0.089 63.098 63.100 0.144 0.000 0.784 451 P CB 0.857 32.572 31.700 0.025 0.000 0.923 452 E N 0.567 120.760 120.200 -0.011 0.000 2.107 452 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 452 E C -0.124 176.170 176.600 -0.510 0.000 0.982 452 E CA 1.290 57.548 56.400 -0.236 0.000 0.809 452 E CB -0.131 29.434 29.700 -0.226 0.000 0.756 452 E HN 0.525 nan 8.360 nan 0.000 0.459 453 Y N 0.467 120.744 120.300 -0.038 0.000 2.787 453 Y HA 0.281 4.831 4.550 -0.000 0.000 0.352 453 Y C -2.343 173.485 175.900 -0.119 0.000 1.027 453 Y CA -2.653 55.399 58.100 -0.080 0.000 1.219 453 Y CB 0.940 39.365 38.460 -0.058 0.000 1.110 453 Y HN -0.032 nan 8.280 nan 0.000 0.614 454 P HA 0.001 nan 4.420 nan 0.000 0.272 454 P C 0.319 177.517 177.300 -0.169 0.000 1.223 454 P CA -0.386 62.603 63.100 -0.184 0.000 0.784 454 P CB 0.725 32.301 31.700 -0.206 0.000 0.923 455 M N 2.710 122.152 119.600 -0.264 0.000 2.240 455 M HA 0.106 4.586 4.480 -0.000 0.000 0.317 455 M C -0.398 175.810 176.300 -0.153 0.000 1.087 455 M CA 0.779 55.961 55.300 -0.196 0.000 1.176 455 M CB -0.071 32.377 32.600 -0.253 0.000 1.439 455 M HN 0.329 nan 8.290 nan 0.000 0.452 456 R N 2.646 123.069 120.500 -0.129 0.000 2.628 456 R HA 0.639 4.979 4.340 -0.000 0.000 0.288 456 R C -1.028 175.135 176.300 -0.227 0.000 0.980 456 R CA -0.581 55.426 56.100 -0.156 0.000 0.891 456 R CB 2.103 32.349 30.300 -0.090 0.000 1.188 456 R HN 0.888 nan 8.270 nan 0.000 0.450 457 R N -0.202 120.033 120.500 -0.442 0.000 2.826 457 R HA 0.257 4.597 4.340 -0.000 0.000 0.269 457 R C -1.018 174.772 176.300 -0.850 0.000 1.031 457 R CA -0.721 55.105 56.100 -0.455 0.000 0.900 457 R CB 0.329 30.450 30.300 -0.299 0.000 1.318 457 R HN 0.555 nan 8.270 nan 0.000 0.447 458 D N -1.047 119.110 120.400 -0.405 0.000 2.441 458 D HA 0.156 4.796 4.640 -0.000 0.000 0.210 458 D C -0.560 175.939 176.300 0.331 0.000 1.102 458 D CA 0.092 53.993 54.000 -0.165 0.000 0.840 458 D CB 0.895 41.801 40.800 0.177 0.000 0.990 458 D HN 0.447 nan 8.370 nan 0.000 0.505 459 T N 0.358 115.064 114.554 0.254 0.000 2.991 459 T HA 0.547 4.897 4.350 -0.000 0.000 0.303 459 T C -1.574 173.328 174.700 0.337 0.000 1.015 459 T CA -0.648 61.701 62.100 0.414 0.000 1.007 459 T CB 1.968 71.007 68.868 0.285 0.000 1.034 459 T HN 0.113 nan 8.240 nan 0.000 0.446 460 L N 3.788 125.255 121.223 0.406 0.000 2.482 460 L HA 0.698 5.038 4.340 -0.000 0.000 0.263 460 L C -1.528 175.574 176.870 0.386 0.000 0.957 460 L CA -0.869 54.127 54.840 0.261 0.000 0.836 460 L CB 1.516 43.629 42.059 0.090 0.000 1.324 460 L HN 0.732 nan 8.230 nan 0.000 0.406 461 Y N 3.684 124.218 120.300 0.390 0.000 2.334 461 Y HA 0.741 5.291 4.550 -0.000 0.000 0.328 461 Y C -0.436 175.832 175.900 0.614 0.000 1.130 461 Y CA -1.439 56.950 58.100 0.481 0.000 1.163 461 Y CB 0.622 39.309 38.460 0.377 0.000 1.207 461 Y HN 0.369 nan 8.280 nan 0.000 0.471 462 V N 2.804 123.263 119.914 0.908 0.000 2.607 462 V HA 0.499 4.619 4.120 -0.000 0.000 0.289 462 V C 0.365 176.852 176.094 0.655 0.000 1.053 462 V CA -1.319 61.413 62.300 0.719 0.000 0.996 462 V CB 0.577 32.713 31.823 0.522 0.000 0.995 462 V HN 0.871 nan 8.190 nan 0.000 0.476 463 R N 2.847 123.665 120.500 0.530 0.000 2.637 463 R HA 0.342 4.682 4.340 -0.000 0.000 0.269 463 R C -2.480 174.025 176.300 0.342 0.000 1.089 463 R CA -1.675 54.666 56.100 0.401 0.000 1.177 463 R CB 0.195 30.684 30.300 0.314 0.000 1.091 463 R HN 0.480 nan 8.270 nan 0.000 0.540 464 P HA -0.145 nan 4.420 nan 0.000 0.260 464 P C -0.692 176.791 177.300 0.305 0.000 1.172 464 P CA 0.952 64.208 63.100 0.261 0.000 0.760 464 P CB 0.314 32.131 31.700 0.195 0.000 0.773 465 Q N -1.315 118.664 119.800 0.299 0.000 2.468 465 Q HA -0.240 4.099 4.340 -0.000 0.000 0.256 465 Q C 0.419 176.645 176.000 0.376 0.000 0.984 465 Q CA 0.937 56.910 55.803 0.283 0.000 1.110 465 Q CB -1.792 27.101 28.738 0.257 0.000 1.527 465 Q HN 0.493 nan 8.270 nan 0.000 0.535 466 S N -0.096 115.843 115.700 0.399 0.000 2.694 466 S HA 0.672 5.141 4.470 -0.000 0.000 0.286 466 S C -0.421 174.358 174.600 0.298 0.000 1.080 466 S CA 0.050 58.530 58.200 0.468 0.000 0.953 466 S CB 1.023 64.480 63.200 0.429 0.000 1.313 466 S HN 0.519 nan 8.310 nan 0.000 0.555 467 N N -0.742 118.129 118.700 0.286 0.000 2.610 467 N HA 0.609 5.349 4.740 -0.000 0.000 0.264 467 N C -1.141 174.494 175.510 0.208 0.000 1.348 467 N CA -0.920 52.228 53.050 0.164 0.000 0.819 467 N CB 1.137 39.754 38.487 0.217 0.000 1.521 467 N HN 0.627 nan 8.380 nan 0.000 0.497 468 F N -2.261 117.745 119.950 0.094 0.000 2.662 468 F HA 0.890 5.417 4.527 -0.000 0.000 0.312 468 F C -1.917 173.791 175.800 -0.153 0.000 1.113 468 F CA -1.319 56.687 58.000 0.011 0.000 0.951 468 F CB 1.508 40.540 39.000 0.054 0.000 1.344 468 F HN 0.287 nan 8.300 nan 0.000 0.462 469 V N 3.313 123.337 119.914 0.183 0.000 2.623 469 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 469 V C -0.317 175.666 176.094 -0.185 0.000 1.054 469 V CA -0.672 61.532 62.300 -0.160 0.000 0.882 469 V CB 1.644 33.076 31.823 -0.652 0.000 1.002 469 V HN 0.832 nan 8.190 nan 0.000 0.424 470 I N 1.891 122.326 120.570 -0.225 0.000 2.740 470 I HA 0.829 4.999 4.170 -0.000 0.000 0.303 470 I C -0.530 175.476 176.117 -0.186 0.000 1.044 470 I CA -0.909 60.235 61.300 -0.259 0.000 1.064 470 I CB 2.373 40.041 38.000 -0.554 0.000 1.249 470 I HN 0.458 nan 8.210 nan 0.000 0.433 471 R N 3.808 124.281 120.500 -0.044 0.000 2.686 471 R HA 0.756 5.096 4.340 -0.000 0.000 0.283 471 R C -1.685 174.768 176.300 0.253 0.000 0.978 471 R CA -0.675 55.426 56.100 0.002 0.000 0.897 471 R CB 2.667 32.953 30.300 -0.022 0.000 1.192 471 R HN 0.791 nan 8.270 nan 0.000 0.457 472 F N -1.254 118.617 119.950 -0.133 0.000 2.693 472 F HA 0.510 5.037 4.527 -0.000 0.000 0.309 472 F C -1.313 174.163 175.800 -0.542 0.000 1.129 472 F CA -1.281 56.584 58.000 -0.226 0.000 0.948 472 F CB 1.478 40.306 39.000 -0.286 0.000 1.315 472 F HN 0.145 nan 8.300 nan 0.000 0.447 473 K N 1.851 121.900 120.400 -0.585 0.000 2.201 473 K HA 0.700 5.020 4.320 -0.000 0.000 0.278 473 K C -0.358 176.068 176.600 -0.290 0.000 1.027 473 K CA -0.603 55.336 56.287 -0.579 0.000 0.909 473 K CB 1.539 33.727 32.500 -0.519 0.000 1.062 473 K HN 0.935 nan 8.250 nan 0.000 0.465 474 A N 4.590 127.237 122.820 -0.289 0.000 2.981 474 A HA 0.058 4.377 4.320 -0.000 0.000 0.280 474 A C -0.217 177.395 177.584 0.045 0.000 1.743 474 A CA -0.211 51.805 52.037 -0.036 0.000 1.430 474 A CB -0.456 18.508 19.000 -0.061 0.000 1.085 474 A HN 0.793 nan 8.150 nan 0.000 0.597 475 D N -0.137 120.328 120.400 0.109 0.000 2.501 475 D HA 0.056 4.696 4.640 -0.000 0.000 0.224 475 D C -0.200 176.136 176.300 0.059 0.000 1.202 475 D CA -0.215 53.817 54.000 0.053 0.000 0.829 475 D CB -0.029 40.769 40.800 -0.002 0.000 1.023 475 D HN 0.241 nan 8.370 nan 0.000 0.499 476 N N 1.260 120.057 118.700 0.163 0.000 2.750 476 N HA 0.263 5.003 4.740 -0.000 0.000 0.253 476 N C -2.945 172.754 175.510 0.314 0.000 1.408 476 N CA -1.741 51.380 53.050 0.119 0.000 0.780 476 N CB 1.178 39.570 38.487 -0.157 0.000 1.191 476 N HN -0.203 nan 8.380 nan 0.000 0.511 477 P HA 0.169 nan 4.420 nan 0.000 0.259 477 P C 0.207 177.532 177.300 0.041 0.000 1.163 477 P CA 0.682 63.849 63.100 0.113 0.000 0.760 477 P CB 0.484 32.219 31.700 0.059 0.000 0.762 478 G N 1.020 109.700 108.800 -0.201 0.000 2.320 478 G HA2 0.361 4.321 3.960 -0.000 0.000 0.296 478 G HA3 0.361 4.321 3.960 -0.000 0.000 0.296 478 G C -1.952 172.313 174.900 -1.060 0.000 1.306 478 G CA -0.557 44.062 45.100 -0.800 0.000 0.836 478 G HN 0.285 nan 8.290 nan 0.000 0.517 479 V N 0.406 119.553 119.914 -1.278 0.000 2.407 479 V HA 0.636 4.756 4.120 -0.000 0.000 0.291 479 V C -1.173 174.473 176.094 -0.746 0.000 1.018 479 V CA -0.268 61.565 62.300 -0.779 0.000 0.842 479 V CB 0.941 32.486 31.823 -0.463 0.000 0.996 479 V HN 0.620 nan 8.190 nan 0.000 0.426 480 W N 4.379 125.659 121.300 -0.034 0.000 2.600 480 W HA 0.587 5.247 4.660 -0.000 0.000 0.325 480 W C -0.482 176.073 176.519 0.059 0.000 1.034 480 W CA -0.838 56.510 57.345 0.006 0.000 1.226 480 W CB 1.589 31.095 29.460 0.078 0.000 1.379 480 W HN 0.359 nan 8.180 nan 0.000 0.466 481 F N 4.158 124.078 119.950 -0.051 0.000 2.427 481 F HA 0.327 4.854 4.527 -0.000 0.000 0.352 481 F C -0.646 175.283 175.800 0.216 0.000 1.100 481 F CA -1.878 56.071 58.000 -0.085 0.000 1.191 481 F CB 0.186 38.915 39.000 -0.451 0.000 1.128 481 F HN 0.168 nan 8.300 nan 0.000 0.533 482 F N 7.338 127.451 119.950 0.271 0.000 2.403 482 F HA 0.446 4.973 4.527 -0.000 0.000 0.355 482 F C -0.962 174.943 175.800 0.175 0.000 1.119 482 F CA -0.362 57.703 58.000 0.109 0.000 1.007 482 F CB 0.245 39.246 39.000 0.003 0.000 1.194 482 F HN 0.663 nan 8.300 nan 0.000 0.443 483 H N 2.095 120.902 119.070 -0.439 0.000 2.990 483 H HA 0.416 4.972 4.556 -0.000 0.000 0.336 483 H C -1.423 173.904 175.328 -0.002 0.000 1.306 483 H CA -1.452 54.474 56.048 -0.203 0.000 1.118 483 H CB 0.676 30.075 29.762 -0.605 0.000 1.856 483 H HN 0.646 nan 8.280 nan 0.000 0.538 484 C N 1.919 121.260 119.300 0.070 0.000 2.632 484 C HA 0.097 4.557 4.460 -0.000 0.000 0.415 484 C C 1.367 176.436 174.990 0.132 0.000 1.332 484 C CA -0.063 58.800 59.018 -0.258 0.000 1.874 484 C CB -0.886 26.662 27.740 -0.319 0.000 2.596 484 C HN 0.998 nan 8.230 nan 0.000 0.590 485 H N 3.940 123.024 119.070 0.023 0.000 2.539 485 H HA 0.267 4.823 4.556 -0.000 0.000 0.267 485 H C 0.472 175.852 175.328 0.086 0.000 0.982 485 H CA 0.424 56.572 56.048 0.167 0.000 1.146 485 H CB 0.091 29.953 29.762 0.166 0.000 1.382 485 H HN 0.641 nan 8.280 nan 0.000 0.577 486 I N 2.002 122.632 120.570 0.099 0.000 2.421 486 I HA -0.075 4.095 4.170 -0.000 0.000 0.291 486 I C 1.535 177.528 176.117 -0.206 0.000 1.089 486 I CA -0.077 61.193 61.300 -0.050 0.000 1.354 486 I CB 1.065 38.944 38.000 -0.201 0.000 1.413 486 I HN 0.072 nan 8.210 nan 0.000 0.513 487 E N 4.886 124.843 120.200 -0.405 0.000 2.130 487 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 487 E C 1.758 178.053 176.600 -0.509 0.000 0.998 487 E CA 1.915 57.968 56.400 -0.579 0.000 0.806 487 E CB -0.018 29.116 29.700 -0.943 0.000 0.738 487 E HN 0.717 nan 8.360 nan 0.000 0.459 488 W N 0.114 121.197 121.300 -0.361 0.000 2.363 488 W HA -0.133 4.527 4.660 -0.000 0.000 0.296 488 W C 2.310 178.903 176.519 0.122 0.000 1.212 488 W CA 0.964 58.103 57.345 -0.343 0.000 1.260 488 W CB -0.679 28.252 29.460 -0.881 0.000 1.131 488 W HN 0.311 nan 8.180 nan 0.000 0.530 489 H N -0.629 118.556 119.070 0.192 0.000 2.428 489 H HA -0.091 4.465 4.556 -0.000 0.000 0.296 489 H C 2.098 177.490 175.328 0.108 0.000 1.062 489 H CA 0.861 57.021 56.048 0.188 0.000 1.350 489 H CB -0.157 29.712 29.762 0.178 0.000 1.403 489 H HN 0.030 nan 8.280 nan 0.000 0.533 490 L N 0.945 122.257 121.223 0.148 0.000 2.093 490 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 490 L C 1.960 178.901 176.870 0.119 0.000 1.085 490 L CA 1.259 56.131 54.840 0.052 0.000 0.755 490 L CB -0.446 41.549 42.059 -0.108 0.000 0.904 490 L HN 0.228 nan 8.230 nan 0.000 0.435 491 L N -0.985 120.326 121.223 0.145 0.000 2.131 491 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 491 L C 2.394 179.404 176.870 0.233 0.000 1.092 491 L CA 1.195 56.158 54.840 0.205 0.000 0.759 491 L CB -0.373 41.850 42.059 0.274 0.000 0.903 491 L HN 0.388 nan 8.230 nan 0.000 0.435 492 Q N -0.386 119.568 119.800 0.257 0.000 2.482 492 Q HA 0.016 4.356 4.340 -0.000 0.000 0.209 492 Q C 1.137 177.239 176.000 0.171 0.000 0.961 492 Q CA 0.579 56.487 55.803 0.175 0.000 0.945 492 Q CB 0.244 29.077 28.738 0.158 0.000 1.012 492 Q HN 0.607 nan 8.270 nan 0.000 0.515 493 G N 1.118 110.024 108.800 0.177 0.000 2.142 493 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.225 493 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.225 493 G C -0.093 174.879 174.900 0.119 0.000 1.015 493 G CA -0.353 44.858 45.100 0.185 0.000 0.716 493 G HN 0.372 nan 8.290 nan 0.000 0.508 494 L N 1.167 122.413 121.223 0.039 0.000 2.391 494 L HA 0.527 4.867 4.340 -0.000 0.000 0.249 494 L C 0.916 177.756 176.870 -0.050 0.000 1.308 494 L CA 0.626 55.376 54.840 -0.150 0.000 1.209 494 L CB -0.474 41.505 42.059 -0.132 0.000 1.401 494 L HN 0.413 nan 8.230 nan 0.000 0.416 495 G N 2.607 111.526 108.800 0.198 0.000 2.698 495 G HA2 0.586 4.546 3.960 -0.000 0.000 0.293 495 G HA3 0.586 4.546 3.960 -0.000 0.000 0.293 495 G C -1.756 173.575 174.900 0.717 0.000 1.437 495 G CA -0.569 44.751 45.100 0.366 0.000 0.852 495 G HN 0.232 nan 8.290 nan 0.000 0.499 496 L N -1.570 120.054 121.223 0.668 0.000 2.409 496 L HA 0.934 5.274 4.340 -0.000 0.000 0.255 496 L C -0.910 176.276 176.870 0.527 0.000 1.027 496 L CA -1.405 53.779 54.840 0.573 0.000 0.834 496 L CB 1.714 43.934 42.059 0.267 0.000 1.426 496 L HN 0.404 nan 8.230 nan 0.000 0.411 497 V N 2.207 122.361 119.914 0.401 0.000 2.448 497 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 497 V C -0.219 176.001 176.094 0.211 0.000 1.025 497 V CA -0.420 62.030 62.300 0.250 0.000 0.859 497 V CB 1.519 33.401 31.823 0.098 0.000 0.988 497 V HN 0.643 nan 8.190 nan 0.000 0.431 498 L N 5.271 126.600 121.223 0.176 0.000 2.287 498 L HA 0.562 4.902 4.340 -0.000 0.000 0.287 498 L C -0.584 176.295 176.870 0.015 0.000 1.022 498 L CA -0.693 54.236 54.840 0.147 0.000 0.814 498 L CB 1.819 44.018 42.059 0.234 0.000 1.217 498 L HN 0.365 nan 8.230 nan 0.000 0.420 499 V N 3.177 123.045 119.914 -0.076 0.000 2.311 499 V HA 0.204 4.324 4.120 -0.000 0.000 0.275 499 V C 0.155 176.195 176.094 -0.091 0.000 1.022 499 V CA -0.557 61.621 62.300 -0.203 0.000 0.830 499 V CB 1.326 32.895 31.823 -0.424 0.000 1.012 499 V HN 0.697 nan 8.190 nan 0.000 0.452 500 E N 4.371 124.545 120.200 -0.044 0.000 2.229 500 E HA 0.172 4.522 4.350 -0.000 0.000 0.283 500 E C -0.045 176.553 176.600 -0.003 0.000 1.030 500 E CA -0.605 55.836 56.400 0.067 0.000 0.836 500 E CB 0.601 30.458 29.700 0.263 0.000 1.068 500 E HN 0.885 nan 8.360 nan 0.000 0.401 501 D N 6.149 126.550 120.400 0.002 0.000 8.267 501 D HA -0.180 4.460 4.640 -0.000 0.000 0.138 501 D C -1.632 174.622 176.300 -0.078 0.000 1.262 501 D CA -0.298 53.683 54.000 -0.031 0.000 0.885 501 D CB 0.010 40.835 40.800 0.041 0.000 1.723 501 D HN 0.323 nan 8.370 nan 0.000 0.984 502 P HA -0.211 nan 4.420 nan 0.000 0.218 502 P C 1.549 178.777 177.300 -0.121 0.000 1.146 502 P CA 1.076 64.055 63.100 -0.202 0.000 0.813 502 P CB -0.153 31.376 31.700 -0.286 0.000 0.778 503 F N 0.218 120.184 119.950 0.027 0.000 2.206 503 F HA 0.002 4.528 4.527 -0.000 0.000 0.298 503 F C 2.781 178.592 175.800 0.019 0.000 1.090 503 F CA 0.731 58.744 58.000 0.022 0.000 1.323 503 F CB -1.211 37.802 39.000 0.022 0.000 1.028 503 F HN -0.031 nan 8.300 nan 0.000 0.492 504 G N 0.768 109.675 108.800 0.179 0.000 2.442 504 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 504 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 504 G C 1.632 176.577 174.900 0.076 0.000 1.141 504 G CA 0.942 46.108 45.100 0.110 0.000 0.763 504 G HN 0.314 nan 8.290 nan 0.000 0.554 505 I N 0.135 120.730 120.570 0.042 0.000 2.179 505 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 505 I C 3.038 179.175 176.117 0.033 0.000 1.088 505 I CA 1.332 62.637 61.300 0.008 0.000 1.357 505 I CB -0.277 37.694 38.000 -0.049 0.000 1.051 505 I HN 0.205 nan 8.210 nan 0.000 0.409 506 Q N 0.305 120.145 119.800 0.067 0.000 2.124 506 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 506 Q C 1.697 177.740 176.000 0.073 0.000 0.977 506 Q CA 1.558 57.407 55.803 0.076 0.000 0.850 506 Q CB -0.073 28.745 28.738 0.134 0.000 0.901 506 Q HN 0.466 nan 8.270 nan 0.000 0.429 507 D N 0.460 120.914 120.400 0.090 0.000 2.183 507 D HA 0.003 4.643 4.640 -0.000 0.000 0.203 507 D C 0.058 176.407 176.300 0.080 0.000 0.969 507 D CA 0.600 54.647 54.000 0.079 0.000 0.842 507 D CB -0.066 40.782 40.800 0.080 0.000 0.957 507 D HN 0.184 nan 8.370 nan 0.000 0.484 508 A N 0.755 123.622 122.820 0.079 0.000 2.409 508 A HA 0.056 4.376 4.320 -0.000 0.000 0.267 508 A C 1.196 178.845 177.584 0.108 0.000 1.127 508 A CA -0.197 51.897 52.037 0.095 0.000 0.795 508 A CB 0.227 19.277 19.000 0.083 0.000 1.061 508 A HN 0.248 nan 8.150 nan 0.000 0.502 509 H N 3.176 122.268 119.070 0.038 0.000 2.326 509 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 509 H C 2.029 177.378 175.328 0.036 0.000 1.081 509 H CA 2.321 58.389 56.048 0.034 0.000 1.334 509 H CB -0.132 29.648 29.762 0.030 0.000 1.385 509 H HN 0.773 nan 8.280 nan 0.000 0.504 510 S N -0.012 115.841 115.700 0.254 0.000 2.488 510 S HA -0.187 4.283 4.470 -0.000 0.000 0.246 510 S C 1.990 176.632 174.600 0.071 0.000 0.992 510 S CA 1.538 59.845 58.200 0.178 0.000 0.963 510 S CB -0.218 63.080 63.200 0.163 0.000 0.754 510 S HN 0.361 nan 8.310 nan 0.000 0.519 511 Q N 0.581 120.397 119.800 0.027 0.000 2.402 511 Q HA 0.216 4.556 4.340 -0.000 0.000 0.206 511 Q C 0.275 176.253 176.000 -0.038 0.000 0.919 511 Q CA 0.288 56.090 55.803 -0.001 0.000 0.923 511 Q CB 0.063 28.801 28.738 -0.001 0.000 1.048 511 Q HN 0.500 nan 8.270 nan 0.000 0.515 512 Q N 0.647 120.395 119.800 -0.086 0.000 2.361 512 Q HA 0.066 4.406 4.340 -0.000 0.000 0.276 512 Q C -0.377 175.592 176.000 -0.052 0.000 1.022 512 Q CA 0.270 56.013 55.803 -0.100 0.000 0.898 512 Q CB 0.320 28.943 28.738 -0.193 0.000 1.246 512 Q HN 0.324 nan 8.270 nan 0.000 0.410 513 L N 1.741 122.947 121.223 -0.027 0.000 2.416 513 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 513 L C 0.936 177.829 176.870 0.039 0.000 1.161 513 L CA -0.233 54.625 54.840 0.031 0.000 0.845 513 L CB 0.266 42.332 42.059 0.012 0.000 1.119 513 L HN 0.653 nan 8.230 nan 0.000 0.464 514 S N 1.624 117.378 115.700 0.090 0.000 2.600 514 S HA 0.134 4.604 4.470 -0.000 0.000 0.265 514 S C 0.937 175.527 174.600 -0.017 0.000 1.325 514 S CA -0.825 57.374 58.200 -0.002 0.000 1.002 514 S CB 1.083 64.227 63.200 -0.094 0.000 0.921 514 S HN 0.623 nan 8.310 nan 0.000 0.554 515 E N 1.547 121.725 120.200 -0.036 0.000 2.058 515 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 515 E C 1.854 178.428 176.600 -0.043 0.000 0.997 515 E CA 1.215 57.599 56.400 -0.027 0.000 0.801 515 E CB -0.756 28.932 29.700 -0.020 0.000 0.746 515 E HN 0.844 nan 8.360 nan 0.000 0.450 516 N N 0.566 119.206 118.700 -0.100 0.000 2.061 516 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 516 N C 1.845 177.283 175.510 -0.119 0.000 1.030 516 N CA 1.220 54.189 53.050 -0.135 0.000 0.856 516 N CB -0.078 38.274 38.487 -0.226 0.000 1.023 516 N HN 0.235 nan 8.380 nan 0.000 0.424 517 H N 0.410 119.440 119.070 -0.067 0.000 2.321 517 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 517 H C 2.132 177.421 175.328 -0.064 0.000 1.087 517 H CA 0.798 56.794 56.048 -0.085 0.000 1.319 517 H CB -0.364 29.340 29.762 -0.096 0.000 1.379 517 H HN 0.210 nan 8.280 nan 0.000 0.501 518 L N 1.006 122.274 121.223 0.075 0.000 2.042 518 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 518 L C 2.601 179.480 176.870 0.016 0.000 1.076 518 L CA 1.628 56.484 54.840 0.028 0.000 0.749 518 L CB -1.105 40.963 42.059 0.015 0.000 0.893 518 L HN 0.281 nan 8.230 nan 0.000 0.432 519 E N -0.438 119.769 120.200 0.012 0.000 2.085 519 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 519 E C 2.144 178.753 176.600 0.016 0.000 0.994 519 E CA 1.494 57.900 56.400 0.010 0.000 0.801 519 E CB -0.201 29.501 29.700 0.003 0.000 0.743 519 E HN 0.218 nan 8.360 nan 0.000 0.453 520 V N 0.086 120.012 119.914 0.020 0.000 2.287 520 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 520 V C 2.624 178.725 176.094 0.011 0.000 1.053 520 V CA 1.824 64.139 62.300 0.024 0.000 1.027 520 V CB -0.717 31.127 31.823 0.035 0.000 0.646 520 V HN 0.535 nan 8.190 nan 0.000 0.447 521 c N -0.544 118.056 118.600 -0.000 0.000 2.436 521 c HA -0.208 4.362 4.570 -0.000 0.000 0.277 521 c C 2.949 177.041 174.090 0.003 0.000 1.241 521 c CA 1.391 57.710 56.329 -0.016 0.000 1.721 521 c CB -1.025 41.469 42.510 -0.026 0.000 2.043 521 c HN 0.618 nan 8.230 nan 0.000 0.472 522 Q N -0.329 119.477 119.800 0.010 0.000 2.084 522 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 522 Q C 2.386 178.399 176.000 0.022 0.000 0.978 522 Q CA 1.836 57.648 55.803 0.015 0.000 0.844 522 Q CB -0.350 28.396 28.738 0.014 0.000 0.898 522 Q HN 0.597 nan 8.270 nan 0.000 0.426 523 S N -0.734 114.980 115.700 0.024 0.000 2.447 523 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 523 S C 1.678 176.300 174.600 0.037 0.000 1.006 523 S CA 0.723 58.941 58.200 0.031 0.000 0.957 523 S CB -0.209 63.011 63.200 0.034 0.000 0.773 523 S HN 0.561 nan 8.310 nan 0.000 0.507 524 C N 1.406 120.726 119.300 0.033 0.000 2.799 524 C HA 0.412 4.872 4.460 -0.000 0.000 0.267 524 C C 0.938 175.957 174.990 0.048 0.000 1.257 524 C CA 0.191 59.234 59.018 0.041 0.000 1.702 524 C CB -1.613 26.142 27.740 0.024 0.000 1.934 524 C HN 0.536 nan 8.230 nan 0.000 0.594 525 S N 0.449 116.173 115.700 0.040 0.000 3.550 525 S HA -0.139 4.331 4.470 -0.000 0.000 0.372 525 S C -0.297 174.336 174.600 0.055 0.000 0.966 525 S CA 0.643 58.869 58.200 0.042 0.000 1.229 525 S CB -1.593 61.633 63.200 0.043 0.000 0.917 525 S HN 0.553 nan 8.310 nan 0.000 0.496 526 V N 0.928 120.871 119.914 0.047 0.000 2.448 526 V HA 0.780 4.900 4.120 -0.000 0.000 0.295 526 V C 0.577 176.694 176.094 0.037 0.000 1.025 526 V CA -0.411 61.928 62.300 0.065 0.000 0.859 526 V CB 1.744 33.589 31.823 0.036 0.000 0.988 526 V HN 0.688 nan 8.190 nan 0.000 0.431 527 A N 2.926 125.777 122.820 0.051 0.000 2.366 527 A HA 0.544 4.864 4.320 -0.000 0.000 0.249 527 A C 0.611 178.204 177.584 0.016 0.000 1.084 527 A CA 0.119 52.174 52.037 0.029 0.000 0.794 527 A CB 0.588 19.605 19.000 0.029 0.000 1.034 527 A HN 0.888 nan 8.150 nan 0.000 0.491 528 T N 0.694 115.250 114.554 0.003 0.000 3.378 528 T HA 0.421 4.771 4.350 -0.000 0.000 0.359 528 T C 0.162 174.858 174.700 -0.007 0.000 1.815 528 T CA -0.272 61.824 62.100 -0.007 0.000 1.509 528 T CB -0.668 68.191 68.868 -0.015 0.000 1.049 528 T HN 0.743 nan 8.240 nan 0.000 0.705 529 E N 1.747 121.944 120.200 -0.005 0.000 3.770 529 E HA 0.576 4.926 4.350 -0.000 0.000 0.331 529 E C 0.707 177.291 176.600 -0.027 0.000 0.714 529 E CA -0.730 55.662 56.400 -0.013 0.000 1.547 529 E CB 0.599 30.293 29.700 -0.009 0.000 2.420 529 E HN 0.396 nan 8.360 nan 0.000 0.501 530 G N 1.276 110.053 108.800 -0.037 0.000 4.613 530 G HA2 0.175 4.135 3.960 -0.000 0.000 0.232 530 G HA3 0.175 4.135 3.960 -0.000 0.000 0.232 530 G C -0.856 173.997 174.900 -0.079 0.000 0.947 530 G CA -0.475 44.583 45.100 -0.071 0.000 0.715 530 G HN 0.256 nan 8.290 nan 0.000 0.518 531 N N 0.352 119.023 118.700 -0.049 0.000 2.470 531 N HA -0.099 4.641 4.740 -0.000 0.000 0.292 531 N C 1.245 176.733 175.510 -0.036 0.000 1.531 531 N CA 1.624 54.653 53.050 -0.035 0.000 0.780 531 N CB -0.529 37.926 38.487 -0.052 0.000 0.975 531 N HN 1.937 nan 8.380 nan 0.000 0.466 532 A N 1.674 124.481 122.820 -0.021 0.000 4.725 532 A HA -0.235 4.085 4.320 -0.000 0.000 0.343 532 A C 1.042 178.613 177.584 -0.022 0.000 1.760 532 A CA 3.227 55.251 52.037 -0.023 0.000 0.747 532 A CB -2.014 16.966 19.000 -0.033 0.000 1.450 532 A HN 2.303 nan 8.150 nan 0.000 0.454 533 A N -0.197 122.605 122.820 -0.029 0.000 2.555 533 A HA 0.508 4.828 4.320 -0.000 0.000 0.233 533 A C 0.931 178.500 177.584 -0.025 0.000 1.060 533 A CA 1.058 53.079 52.037 -0.027 0.000 0.759 533 A CB -0.353 18.628 19.000 -0.031 0.000 0.995 533 A HN 2.403 nan 8.150 nan 0.000 0.506 534 A N 3.003 125.811 122.820 -0.019 0.000 3.048 534 A HA 0.389 4.709 4.320 -0.000 0.000 0.264 534 A C 0.716 178.289 177.584 -0.018 0.000 1.796 534 A CA -0.080 51.947 52.037 -0.016 0.000 1.445 534 A CB -1.317 17.676 19.000 -0.011 0.000 1.074 534 A HN 1.042 nan 8.150 nan 0.000 0.621 535 N N -0.265 118.420 118.700 -0.024 0.000 2.701 535 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 535 N C 0.850 176.346 175.510 -0.023 0.000 1.046 535 N CA 1.756 54.791 53.050 -0.026 0.000 0.733 535 N CB -1.086 37.389 38.487 -0.020 0.000 0.973 535 N HN 0.724 nan 8.380 nan 0.000 0.541 536 T N -2.249 112.290 114.554 -0.024 0.000 3.085 536 T HA 0.300 4.650 4.350 -0.000 0.000 0.241 536 T C 1.183 175.870 174.700 -0.022 0.000 0.988 536 T CA 0.662 62.750 62.100 -0.020 0.000 1.117 536 T CB 0.078 68.936 68.868 -0.017 0.000 0.978 536 T HN 0.196 nan 8.240 nan 0.000 0.454 537 L N -0.213 120.995 121.223 -0.026 0.000 2.993 537 L HA 0.414 4.754 4.340 -0.000 0.000 0.264 537 L C 0.215 177.064 176.870 -0.035 0.000 1.154 537 L CA 0.568 55.392 54.840 -0.027 0.000 0.972 537 L CB 0.699 42.744 42.059 -0.024 0.000 1.373 537 L HN 0.100 nan 8.230 nan 0.000 0.564 538 D N -0.455 119.918 120.400 -0.044 0.000 3.028 538 D HA -0.187 4.453 4.640 -0.000 0.000 0.211 538 D C -0.359 175.901 176.300 -0.066 0.000 1.136 538 D CA 1.180 55.142 54.000 -0.064 0.000 0.987 538 D CB -0.618 40.139 40.800 -0.071 0.000 1.128 538 D HN 0.037 nan 8.370 nan 0.000 0.406 539 L N 0.963 122.157 121.223 -0.049 0.000 2.272 539 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 539 L C 1.391 178.236 176.870 -0.041 0.000 1.032 539 L CA -0.580 54.233 54.840 -0.044 0.000 0.810 539 L CB 1.016 43.055 42.059 -0.034 0.000 1.205 539 L HN 0.045 nan 8.230 nan 0.000 0.422 540 T N -1.545 112.983 114.554 -0.043 0.000 2.770 540 T HA 0.450 4.800 4.350 -0.000 0.000 0.281 540 T C -0.168 174.509 174.700 -0.038 0.000 0.981 540 T CA -0.597 61.477 62.100 -0.043 0.000 0.955 540 T CB 1.067 69.907 68.868 -0.047 0.000 1.060 540 T HN 0.508 nan 8.240 nan 0.000 0.531 541 D N 1.434 121.811 120.400 -0.039 0.000 2.978 541 D HA 0.236 4.876 4.640 -0.000 0.000 0.268 541 D C 0.253 176.527 176.300 -0.043 0.000 1.252 541 D CA -0.294 53.684 54.000 -0.037 0.000 0.771 541 D CB 0.542 41.323 40.800 -0.032 0.000 1.361 541 D HN 0.396 nan 8.370 nan 0.000 0.558 542 L N -0.789 120.404 121.223 -0.050 0.000 2.584 542 L HA 0.532 4.872 4.340 -0.000 0.000 0.153 542 L C 0.948 177.774 176.870 -0.073 0.000 1.336 542 L CA 0.029 54.832 54.840 -0.061 0.000 2.295 542 L CB -1.110 40.910 42.059 -0.065 0.000 2.581 542 L HN -0.004 nan 8.230 nan 0.000 0.640 543 T N -0.417 114.081 114.554 -0.093 0.000 3.089 543 T HA 0.692 5.042 4.350 -0.000 0.000 0.340 543 T C -0.300 174.320 174.700 -0.133 0.000 1.008 543 T CA -0.238 61.794 62.100 -0.114 0.000 1.096 543 T CB -0.350 68.434 68.868 -0.140 0.000 1.024 543 T HN 0.956 nan 8.240 nan 0.000 0.477 544 G N 2.666 111.396 108.800 -0.117 0.000 2.511 544 G HA2 0.623 4.583 3.960 -0.000 0.000 0.316 544 G HA3 0.623 4.583 3.960 -0.000 0.000 0.316 544 G C -0.240 174.571 174.900 -0.150 0.000 1.210 544 G CA -0.885 44.141 45.100 -0.123 0.000 0.969 544 G HN 0.866 nan 8.290 nan 0.000 0.492 545 E N -0.490 119.613 120.200 -0.161 0.000 2.374 545 E HA 0.130 4.480 4.350 -0.000 0.000 0.260 545 E C -0.479 176.022 176.600 -0.165 0.000 1.101 545 E CA -0.569 55.702 56.400 -0.215 0.000 0.907 545 E CB 0.789 30.348 29.700 -0.235 0.000 1.014 545 E HN 0.412 nan 8.360 nan 0.000 0.427 546 N N 0.339 118.920 118.700 -0.197 0.000 2.407 546 N HA 0.057 4.797 4.740 -0.000 0.000 0.250 546 N C -0.200 175.263 175.510 -0.079 0.000 1.236 546 N CA -0.128 52.852 53.050 -0.116 0.000 0.879 546 N CB 0.690 39.128 38.487 -0.082 0.000 1.088 546 N HN 0.420 nan 8.380 nan 0.000 0.450 547 V N -0.238 119.639 119.914 -0.062 0.000 3.319 547 V HA 0.134 4.254 4.120 -0.000 0.000 0.303 547 V C 0.700 176.770 176.094 -0.040 0.000 1.094 547 V CA -0.679 61.593 62.300 -0.046 0.000 1.106 547 V CB 0.512 32.308 31.823 -0.046 0.000 1.099 547 V HN 0.566 nan 8.190 nan 0.000 0.476 548 Q N -0.801 118.985 119.800 -0.023 0.000 2.407 548 Q HA 0.245 4.585 4.340 -0.000 0.000 0.214 548 Q C 0.658 176.654 176.000 -0.008 0.000 1.043 548 Q CA 0.287 56.089 55.803 -0.002 0.000 0.983 548 Q CB 0.415 29.150 28.738 -0.005 0.000 1.211 548 Q HN 0.834 nan 8.270 nan 0.000 0.564 549 H N -0.599 118.463 119.070 -0.013 0.000 2.539 549 H HA 0.383 4.939 4.556 -0.000 0.000 0.267 549 H C -0.102 175.218 175.328 -0.014 0.000 0.982 549 H CA 0.103 56.146 56.048 -0.008 0.000 1.146 549 H CB 0.397 30.155 29.762 -0.006 0.000 1.382 549 H HN 0.571 nan 8.280 nan 0.000 0.577 550 A N 0.000 122.878 122.820 0.097 0.000 2.254 550 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 550 A CA 0.000 52.070 52.037 0.055 0.000 0.836 550 A CB 0.000 19.013 19.000 0.022 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486