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_C 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 0.000 176.453 176.600 -0.245 0.000 1.382 22 E CA 0.000 56.299 56.400 -0.168 0.000 0.976 22 E CB 0.000 29.577 29.700 -0.204 0.000 0.812 23 T N 3.063 117.426 114.554 -0.318 0.000 2.771 23 T HA 0.390 4.740 4.350 0.000 0.000 0.281 23 T C -0.746 173.673 174.700 -0.468 0.000 0.982 23 T CA -0.535 61.388 62.100 -0.295 0.000 0.978 23 T CB 0.346 69.097 68.868 -0.195 0.000 0.930 23 T HN 0.217 nan 8.240 nan 0.000 0.447 24 H N 2.489 121.426 119.070 -0.222 0.000 2.581 24 H HA 0.350 4.906 4.556 0.000 0.000 0.308 24 H C -0.239 174.798 175.328 -0.484 0.000 1.040 24 H CA -0.480 55.355 56.048 -0.355 0.000 1.231 24 H CB 1.031 30.660 29.762 -0.223 0.000 1.396 24 H HN 0.443 nan 8.280 nan 0.000 0.467 25 T N 4.995 119.247 114.554 -0.504 0.000 2.779 25 T HA 0.393 4.743 4.350 0.000 0.000 0.280 25 T C -0.209 174.115 174.700 -0.627 0.000 0.987 25 T CA -0.468 61.389 62.100 -0.405 0.000 0.966 25 T CB 0.404 69.169 68.868 -0.173 0.000 0.933 25 T HN 0.245 nan 8.240 nan 0.000 0.442 26 F N 2.290 122.103 119.950 -0.228 0.000 2.522 26 F HA 0.523 5.050 4.527 0.000 0.000 0.324 26 F C 0.596 176.233 175.800 -0.272 0.000 1.077 26 F CA -1.163 56.614 58.000 -0.373 0.000 0.944 26 F CB 1.470 39.879 39.000 -0.986 0.000 1.175 26 F HN 0.337 nan 8.300 nan 0.000 0.468 27 N N 2.537 121.276 118.700 0.066 0.000 2.626 27 N HA 0.201 4.941 4.740 0.000 0.000 0.249 27 N C -2.075 173.652 175.510 0.361 0.000 1.021 27 N CA -0.411 52.740 53.050 0.167 0.000 0.886 27 N CB 0.476 39.036 38.487 0.122 0.000 1.149 27 N HN 0.409 nan 8.380 nan 0.000 0.517 28 W N 1.944 123.360 121.300 0.194 0.000 2.532 28 W HA 0.432 5.092 4.660 0.000 0.000 0.321 28 W C -0.262 176.330 176.519 0.122 0.000 1.037 28 W CA -0.660 56.751 57.345 0.110 0.000 1.220 28 W CB 1.130 30.679 29.460 0.149 0.000 1.361 28 W HN 0.140 nan 8.180 nan 0.000 0.468 29 T N 1.788 116.492 114.554 0.249 0.000 2.792 29 T HA 0.339 4.689 4.350 0.000 0.000 0.280 29 T C 0.342 175.117 174.700 0.125 0.000 0.990 29 T CA -0.467 61.744 62.100 0.185 0.000 0.960 29 T CB 1.245 70.187 68.868 0.123 0.000 0.939 29 T HN 0.312 nan 8.240 nan 0.000 0.439 30 T N 1.127 115.813 114.554 0.220 0.000 2.918 30 T HA 0.643 4.993 4.350 0.000 0.000 0.302 30 T C 0.550 175.292 174.700 0.070 0.000 1.045 30 T CA -0.544 61.683 62.100 0.211 0.000 1.114 30 T CB 1.086 70.093 68.868 0.232 0.000 0.965 30 T HN 0.835 nan 8.240 nan 0.000 0.540 31 G N 0.398 109.180 108.800 -0.031 0.000 2.600 31 G HA2 0.518 4.478 3.960 0.000 0.000 0.293 31 G HA3 0.518 4.478 3.960 0.000 0.000 0.293 31 G C -2.321 172.449 174.900 -0.217 0.000 1.408 31 G CA -1.309 43.763 45.100 -0.047 0.000 0.782 31 G HN 0.740 nan 8.290 nan 0.000 0.482 32 W N 0.082 121.420 121.300 0.064 0.000 2.587 32 W HA 0.640 5.300 4.660 0.000 0.000 0.324 32 W C -0.788 175.719 176.519 -0.021 0.000 1.040 32 W CA -0.095 57.256 57.345 0.010 0.000 1.222 32 W CB 2.620 32.067 29.460 -0.021 0.000 1.381 32 W HN 0.553 nan 8.180 nan 0.000 0.483 33 D N 0.872 121.381 120.400 0.183 0.000 2.661 33 D HA 0.296 4.936 4.640 0.000 0.000 0.228 33 D C -1.507 174.794 176.300 0.001 0.000 1.210 33 D CA -0.902 53.160 54.000 0.103 0.000 0.826 33 D CB 1.415 42.272 40.800 0.095 0.000 1.542 33 D HN 0.155 nan 8.370 nan 0.000 0.447 34 Y N 1.672 122.016 120.300 0.073 0.000 2.442 34 Y HA 0.386 4.936 4.550 0.000 0.000 0.330 34 Y C 0.890 176.783 175.900 -0.012 0.000 1.129 34 Y CA 0.277 58.400 58.100 0.039 0.000 1.365 34 Y CB 0.640 39.119 38.460 0.032 0.000 1.233 34 Y HN -0.037 nan 8.280 nan 0.000 0.529 35 R N 1.714 122.257 120.500 0.071 0.000 2.808 35 R HA 0.261 4.601 4.340 0.000 0.000 0.272 35 R C -1.174 175.146 176.300 0.034 0.000 0.995 35 R CA -1.200 54.897 56.100 -0.005 0.000 0.917 35 R CB 1.588 31.757 30.300 -0.218 0.000 1.217 35 R HN 0.524 nan 8.270 nan 0.000 0.471 36 N N 1.715 120.421 118.700 0.010 0.000 2.955 36 N HA 0.105 4.845 4.740 0.000 0.000 0.242 36 N C 0.597 176.061 175.510 -0.077 0.000 1.123 36 N CA -0.051 52.999 53.050 0.000 0.000 0.949 36 N CB 0.680 39.173 38.487 0.011 0.000 1.214 36 N HN 0.271 nan 8.380 nan 0.000 0.504 37 V N 1.651 121.448 119.914 -0.195 0.000 2.270 37 V HA -0.167 3.953 4.120 0.000 0.000 0.245 37 V C 1.864 177.739 176.094 -0.365 0.000 1.043 37 V CA 1.361 63.413 62.300 -0.412 0.000 1.014 37 V CB -0.441 30.736 31.823 -1.076 0.000 0.645 37 V HN 0.473 nan 8.190 nan 0.000 0.447 38 D N 0.009 120.199 120.400 -0.350 0.000 2.133 38 D HA -0.124 4.516 4.640 0.000 0.000 0.192 38 D C 1.871 178.155 176.300 -0.026 0.000 1.001 38 D CA 2.177 56.121 54.000 -0.093 0.000 0.844 38 D CB -0.305 40.616 40.800 0.201 0.000 0.944 38 D HN 0.577 nan 8.370 nan 0.000 0.447 39 G N -0.698 108.091 108.800 -0.018 0.000 2.213 39 G HA2 -0.232 3.728 3.960 0.000 0.000 0.226 39 G HA3 -0.232 3.728 3.960 0.000 0.000 0.226 39 G C 0.867 175.789 174.900 0.036 0.000 0.992 39 G CA 0.460 45.565 45.100 0.009 0.000 0.632 39 G HN 0.468 nan 8.290 nan 0.000 0.511 40 L N -3.469 117.791 121.223 0.061 0.000 3.298 40 L HA 0.760 5.100 4.340 0.000 0.000 0.296 40 L C -0.018 176.845 176.870 -0.011 0.000 1.237 40 L CA -0.495 54.388 54.840 0.071 0.000 1.038 40 L CB 0.753 42.902 42.059 0.151 0.000 1.423 40 L HN -0.023 nan 8.230 nan 0.000 0.605 41 K N 1.182 121.528 120.400 -0.090 0.000 2.635 41 K HA 0.305 4.625 4.320 0.000 0.000 0.266 41 K C -1.264 175.326 176.600 -0.016 0.000 1.033 41 K CA 0.067 56.260 56.287 -0.157 0.000 0.919 41 K CB 2.408 34.547 32.500 -0.600 0.000 1.289 41 K HN 0.018 nan 8.250 nan 0.000 0.463 42 S N 2.974 118.697 115.700 0.038 0.000 2.510 42 S HA 0.391 4.861 4.470 0.000 0.000 0.279 42 S C -0.372 174.380 174.600 0.253 0.000 1.284 42 S CA -0.090 58.187 58.200 0.128 0.000 1.059 42 S CB 0.256 63.501 63.200 0.075 0.000 0.901 42 S HN 0.548 nan 8.310 nan 0.000 0.491 43 R N 4.469 125.167 120.500 0.330 0.000 2.561 43 R HA 0.345 4.685 4.340 0.000 0.000 0.266 43 R C -3.377 172.917 176.300 -0.010 0.000 1.091 43 R CA -1.800 54.421 56.100 0.201 0.000 0.927 43 R CB 1.558 31.962 30.300 0.173 0.000 1.240 43 R HN 0.341 nan 8.270 nan 0.000 0.449 44 P HA 0.067 nan 4.420 nan 0.000 0.271 44 P C -0.688 176.705 177.300 0.156 0.000 1.220 44 P CA -0.271 62.653 63.100 -0.293 0.000 0.768 44 P CB 0.951 32.408 31.700 -0.405 0.000 0.848 45 V N 1.211 121.214 119.914 0.148 0.000 3.001 45 V HA 0.544 4.664 4.120 0.000 0.000 0.314 45 V C -0.297 175.768 176.094 -0.049 0.000 1.099 45 V CA -1.246 61.102 62.300 0.079 0.000 0.989 45 V CB 1.939 33.552 31.823 -0.349 0.000 1.040 45 V HN 0.243 nan 8.190 nan 0.000 0.434 46 I N 3.429 123.906 120.570 -0.154 0.000 2.379 46 I HA 0.352 4.522 4.170 0.000 0.000 0.290 46 I C 0.911 177.219 176.117 0.318 0.000 1.063 46 I CA 0.215 61.361 61.300 -0.258 0.000 1.351 46 I CB 1.144 38.954 38.000 -0.317 0.000 1.410 46 I HN 0.963 nan 8.210 nan 0.000 0.505 47 T N 2.374 117.001 114.554 0.120 0.000 2.927 47 T HA 0.342 4.692 4.350 0.000 0.000 0.281 47 T C -0.348 174.160 174.700 -0.320 0.000 0.998 47 T CA -0.792 61.331 62.100 0.039 0.000 1.019 47 T CB 1.819 70.676 68.868 -0.019 0.000 1.061 47 T HN 0.629 nan 8.240 nan 0.000 0.518 48 C N 3.335 122.084 119.300 -0.918 0.000 2.293 48 C HA 0.519 4.979 4.460 0.000 0.000 0.323 48 C C 0.384 175.006 174.990 -0.613 0.000 1.240 48 C CA -0.463 57.770 59.018 -1.309 0.000 1.497 48 C CB -1.751 24.518 27.740 -2.453 0.000 2.171 48 C HN 0.972 nan 8.230 nan 0.000 0.465 49 N N 3.893 122.405 118.700 -0.313 0.000 2.721 49 N HA -0.194 4.546 4.740 0.000 0.000 0.249 49 N C 1.006 176.453 175.510 -0.106 0.000 1.072 49 N CA 1.942 54.915 53.050 -0.129 0.000 0.710 49 N CB -1.397 37.048 38.487 -0.070 0.000 0.993 49 N HN 1.772 nan 8.380 nan 0.000 0.547 50 G N -1.823 106.915 108.800 -0.104 0.000 2.179 50 G HA2 -0.331 3.629 3.960 0.000 0.000 0.260 50 G HA3 -0.331 3.629 3.960 0.000 0.000 0.260 50 G C -0.151 174.718 174.900 -0.052 0.000 0.977 50 G CA 0.671 45.743 45.100 -0.046 0.000 0.641 50 G HN 0.492 nan 8.290 nan 0.000 0.533 51 Q N -0.698 119.022 119.800 -0.135 0.000 2.266 51 Q HA 0.790 5.130 4.340 0.000 0.000 0.261 51 Q C -1.054 174.906 176.000 -0.066 0.000 0.985 51 Q CA -0.744 54.995 55.803 -0.106 0.000 0.873 51 Q CB 2.262 30.900 28.738 -0.167 0.000 1.306 51 Q HN 0.464 nan 8.270 nan 0.000 0.447 52 F N 2.373 122.242 119.950 -0.136 0.000 2.581 52 F HA 0.490 5.017 4.527 0.000 0.000 0.311 52 F C -2.339 173.423 175.800 -0.063 0.000 1.113 52 F CA -1.632 56.318 58.000 -0.083 0.000 0.935 52 F CB 1.516 40.508 39.000 -0.013 0.000 1.232 52 F HN 0.418 nan 8.300 nan 0.000 0.445 53 P HA 0.240 nan 4.420 nan 0.000 0.282 53 P C -1.114 175.896 177.300 -0.483 0.000 1.287 53 P CA -0.283 62.137 63.100 -1.133 0.000 0.792 53 P CB 0.718 31.890 31.700 -0.880 0.000 1.163 54 W N 1.000 121.971 121.300 -0.548 0.000 2.148 54 W HA 0.189 4.849 4.660 0.000 0.000 0.347 54 W C -1.466 174.856 176.519 -0.328 0.000 1.288 54 W CA -0.776 56.341 57.345 -0.379 0.000 1.252 54 W CB -1.110 28.182 29.460 -0.281 0.000 1.156 54 W HN 0.322 nan 8.180 nan 0.000 0.580 55 P HA 0.047 nan 4.420 nan 0.000 0.272 55 P C -0.728 176.601 177.300 0.048 0.000 1.240 55 P CA 0.022 63.048 63.100 -0.124 0.000 0.791 55 P CB 0.910 32.481 31.700 -0.215 0.000 0.978 56 D N 1.005 121.424 120.400 0.032 0.000 2.185 56 D HA 0.415 5.055 4.640 0.000 0.000 0.247 56 D C 0.188 176.503 176.300 0.024 0.000 1.027 56 D CA -0.214 53.830 54.000 0.073 0.000 0.861 56 D CB 1.637 42.437 40.800 -0.000 0.000 1.202 56 D HN 0.248 nan 8.370 nan 0.000 0.453 57 I N 1.051 121.606 120.570 -0.025 0.000 2.359 57 I HA 0.189 4.360 4.170 0.000 0.000 0.294 57 I C 0.135 176.052 176.117 -0.333 0.000 0.987 57 I CA -0.190 60.955 61.300 -0.259 0.000 1.225 57 I CB 1.503 39.168 38.000 -0.558 0.000 1.366 57 I HN 0.050 nan 8.210 nan 0.000 0.466 58 T N 6.114 120.510 114.554 -0.264 0.000 2.840 58 T HA 0.578 4.928 4.350 0.000 0.000 0.287 58 T C -0.307 174.211 174.700 -0.303 0.000 0.991 58 T CA -0.564 61.400 62.100 -0.226 0.000 0.964 58 T CB 1.421 70.229 68.868 -0.100 0.000 0.954 58 T HN 0.419 nan 8.240 nan 0.000 0.438 59 V N 1.177 120.922 119.914 -0.283 0.000 3.141 59 V HA 0.750 4.870 4.120 0.000 0.000 0.312 59 V C -0.711 175.359 176.094 -0.041 0.000 1.157 59 V CA -1.261 60.893 62.300 -0.243 0.000 1.041 59 V CB 2.170 33.820 31.823 -0.288 0.000 1.071 59 V HN 0.630 nan 8.190 nan 0.000 0.441 60 N N 0.712 119.433 118.700 0.036 0.000 2.492 60 N HA 0.364 5.104 4.740 0.000 0.000 0.289 60 N C -0.505 175.037 175.510 0.052 0.000 1.133 60 N CA -0.669 52.411 53.050 0.049 0.000 0.961 60 N CB 1.527 40.047 38.487 0.055 0.000 1.186 60 N HN 0.847 nan 8.380 nan 0.000 0.493 61 K N 0.399 120.825 120.400 0.043 0.000 2.511 61 K HA -0.004 4.316 4.320 0.000 0.000 0.277 61 K C 0.982 177.589 176.600 0.012 0.000 1.025 61 K CA 1.347 57.650 56.287 0.027 0.000 1.112 61 K CB -0.639 31.873 32.500 0.020 0.000 0.859 61 K HN 0.758 nan 8.250 nan 0.000 0.485 62 G N 2.836 111.635 108.800 -0.002 0.000 2.159 62 G HA2 -0.244 3.716 3.960 0.000 0.000 0.256 62 G HA3 -0.244 3.716 3.960 0.000 0.000 0.256 62 G C -0.222 174.684 174.900 0.010 0.000 0.977 62 G CA 0.184 45.275 45.100 -0.015 0.000 0.652 62 G HN 0.705 nan 8.290 nan 0.000 0.531 63 D N -0.222 120.204 120.400 0.043 0.000 2.357 63 D HA 0.483 5.123 4.640 0.000 0.000 0.242 63 D C 0.865 177.187 176.300 0.038 0.000 1.153 63 D CA -0.071 53.968 54.000 0.066 0.000 0.918 63 D CB 0.780 41.681 40.800 0.169 0.000 1.181 63 D HN 0.406 nan 8.370 nan 0.000 0.435 64 R N 0.514 121.015 120.500 0.002 0.000 2.346 64 R HA 0.462 4.802 4.340 0.000 0.000 0.311 64 R C -1.574 174.648 176.300 -0.131 0.000 0.983 64 R CA -0.519 55.529 56.100 -0.087 0.000 0.880 64 R CB 0.785 31.026 30.300 -0.097 0.000 1.100 64 R HN 0.109 nan 8.270 nan 0.000 0.453 65 V N 5.653 125.334 119.914 -0.387 0.000 2.384 65 V HA 0.340 4.460 4.120 0.000 0.000 0.287 65 V C -0.538 175.193 176.094 -0.605 0.000 1.020 65 V CA -0.539 61.475 62.300 -0.477 0.000 0.850 65 V CB 1.576 33.010 31.823 -0.648 0.000 0.987 65 V HN 0.784 nan 8.190 nan 0.000 0.436 66 Q N 5.188 124.784 119.800 -0.339 0.000 2.401 66 Q HA 0.564 4.904 4.340 0.000 0.000 0.260 66 Q C -1.088 174.749 176.000 -0.271 0.000 1.034 66 Q CA -0.241 55.361 55.803 -0.335 0.000 0.737 66 Q CB 2.270 30.824 28.738 -0.307 0.000 1.227 66 Q HN 0.664 nan 8.270 nan 0.000 0.488 67 I N 2.513 122.952 120.570 -0.218 0.000 2.330 67 I HA 0.219 4.389 4.170 0.000 0.000 0.289 67 I C -0.808 175.241 176.117 -0.113 0.000 1.001 67 I CA -0.702 60.500 61.300 -0.163 0.000 1.193 67 I CB 0.747 38.671 38.000 -0.128 0.000 1.345 67 I HN 0.502 nan 8.210 nan 0.000 0.461 68 Y N 6.922 127.213 120.300 -0.015 0.000 2.600 68 Y HA 0.290 4.840 4.550 0.000 0.000 0.351 68 Y C 0.154 176.131 175.900 0.129 0.000 1.042 68 Y CA -0.230 57.895 58.100 0.042 0.000 1.333 68 Y CB 0.501 38.965 38.460 0.006 0.000 1.172 68 Y HN 0.398 nan 8.280 nan 0.000 0.517 69 L N 4.052 125.480 121.223 0.341 0.000 2.265 69 L HA 0.379 4.719 4.340 0.000 0.000 0.288 69 L C -0.383 176.672 176.870 0.308 0.000 1.058 69 L CA -0.048 55.029 54.840 0.396 0.000 0.809 69 L CB 0.789 43.141 42.059 0.488 0.000 1.179 69 L HN 0.533 nan 8.230 nan 0.000 0.429 70 T N 3.100 117.829 114.554 0.291 0.000 2.779 70 T HA 0.191 4.541 4.350 0.000 0.000 0.280 70 T C -0.026 174.800 174.700 0.211 0.000 0.987 70 T CA -0.524 61.703 62.100 0.212 0.000 0.966 70 T CB 0.987 69.957 68.868 0.170 0.000 0.933 70 T HN 0.412 nan 8.240 nan 0.000 0.442 71 N N 2.234 121.040 118.700 0.177 0.000 2.402 71 N HA 0.231 4.971 4.740 0.000 0.000 0.252 71 N C 0.947 176.545 175.510 0.146 0.000 1.118 71 N CA -0.327 52.823 53.050 0.167 0.000 0.945 71 N CB 0.701 39.279 38.487 0.152 0.000 1.147 71 N HN 0.845 nan 8.380 nan 0.000 0.495 72 G N 2.941 111.829 108.800 0.147 0.000 3.393 72 G HA2 0.125 4.085 3.960 0.000 0.000 0.255 72 G HA3 0.125 4.085 3.960 0.000 0.000 0.255 72 G C 0.458 175.452 174.900 0.156 0.000 1.097 72 G CA -0.255 44.925 45.100 0.133 0.000 0.780 72 G HN 0.471 nan 8.290 nan 0.000 0.540 73 M N 0.339 120.046 119.600 0.178 0.000 2.235 73 M HA 0.220 4.700 4.480 0.000 0.000 0.351 73 M C 1.249 177.685 176.300 0.226 0.000 1.178 73 M CA -0.373 55.086 55.300 0.265 0.000 1.143 73 M CB 1.363 34.145 32.600 0.303 0.000 1.530 73 M HN -0.023 nan 8.290 nan 0.000 0.461 74 N N 0.985 119.824 118.700 0.231 0.000 2.457 74 N HA -0.084 4.656 4.740 0.000 0.000 0.180 74 N C 0.533 176.117 175.510 0.123 0.000 1.050 74 N CA 1.007 54.146 53.050 0.148 0.000 0.906 74 N CB 0.248 38.804 38.487 0.115 0.000 0.968 74 N HN 0.714 nan 8.380 nan 0.000 0.445 75 N N -3.039 115.747 118.700 0.143 0.000 2.028 75 N HA 0.020 4.760 4.740 0.000 0.000 0.230 75 N C -0.666 174.921 175.510 0.128 0.000 1.354 75 N CA 0.049 53.166 53.050 0.112 0.000 0.855 75 N CB 0.029 38.563 38.487 0.078 0.000 1.111 75 N HN -0.131 nan 8.380 nan 0.000 0.480 76 T N 0.290 114.947 114.554 0.171 0.000 2.943 76 T HA 0.465 4.815 4.350 0.000 0.000 0.284 76 T C -0.022 174.772 174.700 0.156 0.000 1.015 76 T CA -0.692 61.510 62.100 0.171 0.000 1.042 76 T CB 1.405 70.405 68.868 0.220 0.000 1.055 76 T HN -0.053 nan 8.240 nan 0.000 0.500 77 N N 1.066 119.854 118.700 0.147 0.000 2.408 77 N HA 0.534 5.274 4.740 0.000 0.000 0.260 77 N C -0.042 175.557 175.510 0.149 0.000 1.242 77 N CA -0.233 52.903 53.050 0.143 0.000 0.959 77 N CB 0.772 39.346 38.487 0.146 0.000 1.201 77 N HN 0.746 nan 8.380 nan 0.000 0.511 78 T N -1.549 113.094 114.554 0.148 0.000 2.865 78 T HA 0.785 5.135 4.350 0.000 0.000 0.294 78 T C -0.533 174.266 174.700 0.166 0.000 1.119 78 T CA -0.832 61.358 62.100 0.151 0.000 1.007 78 T CB 1.476 70.441 68.868 0.161 0.000 1.225 78 T HN 0.578 nan 8.240 nan 0.000 0.515 79 S N 0.011 115.809 115.700 0.164 0.000 2.611 79 S HA 0.749 5.219 4.470 0.000 0.000 0.268 79 S C -1.359 173.293 174.600 0.086 0.000 1.156 79 S CA -1.052 57.266 58.200 0.197 0.000 0.817 79 S CB 1.720 65.036 63.200 0.193 0.000 1.122 79 S HN 0.999 nan 8.310 nan 0.000 0.466 80 M N 2.211 121.786 119.600 -0.042 0.000 2.267 80 M HA 0.551 5.031 4.480 0.000 0.000 0.289 80 M C -1.997 173.945 176.300 -0.596 0.000 1.043 80 M CA -0.232 54.825 55.300 -0.405 0.000 0.928 80 M CB 1.802 34.059 32.600 -0.571 0.000 1.613 80 M HN 1.092 nan 8.290 nan 0.000 0.450 81 H N 3.767 122.409 119.070 -0.713 0.000 2.495 81 H HA 0.556 5.112 4.556 0.000 0.000 0.348 81 H C -2.085 172.662 175.328 -0.968 0.000 1.113 81 H CA -0.486 55.177 56.048 -0.642 0.000 1.195 81 H CB 1.039 30.643 29.762 -0.264 0.000 1.521 81 H HN 0.586 nan 8.280 nan 0.000 0.509 82 F N 4.113 123.393 119.950 -1.117 0.000 2.303 82 F HA 0.167 4.695 4.527 0.000 0.000 0.368 82 F C 0.348 175.435 175.800 -1.188 0.000 1.105 82 F CA -0.715 56.689 58.000 -0.994 0.000 1.153 82 F CB 0.042 38.517 39.000 -0.875 0.000 1.362 82 F HN 0.653 nan 8.300 nan 0.000 0.511 83 H N 2.077 120.505 119.070 -1.071 0.000 3.091 83 H HA 0.376 4.932 4.556 0.000 0.000 0.289 83 H C 1.190 176.402 175.328 -0.194 0.000 0.995 83 H CA 1.273 56.937 56.048 -0.640 0.000 1.461 83 H CB 0.319 29.609 29.762 -0.787 0.000 1.510 83 H HN 0.894 nan 8.280 nan 0.000 0.546 84 G N 3.632 112.386 108.800 -0.077 0.000 2.254 84 G HA2 -0.270 3.690 3.960 0.000 0.000 0.225 84 G HA3 -0.270 3.690 3.960 0.000 0.000 0.225 84 G C -0.290 174.429 174.900 -0.302 0.000 1.003 84 G CA -0.062 45.111 45.100 0.120 0.000 0.622 84 G HN 0.587 nan 8.290 nan 0.000 0.507 85 L N 1.375 122.287 121.223 -0.518 0.000 2.453 85 L HA 0.547 4.887 4.340 0.000 0.000 0.272 85 L C 1.488 178.142 176.870 -0.361 0.000 1.182 85 L CA 0.105 54.538 54.840 -0.680 0.000 0.858 85 L CB 0.106 41.729 42.059 -0.727 0.000 1.120 85 L HN 0.069 nan 8.230 nan 0.000 0.474 86 F N 0.497 120.275 119.950 -0.286 0.000 2.615 86 F HA 0.017 4.544 4.527 0.000 0.000 0.297 86 F C 1.216 176.886 175.800 -0.216 0.000 1.124 86 F CA -0.140 57.655 58.000 -0.342 0.000 1.451 86 F CB -0.492 38.322 39.000 -0.310 0.000 1.103 86 F HN 0.500 nan 8.300 nan 0.000 0.569 87 Q N 0.448 120.278 119.800 0.050 0.000 2.435 87 Q HA -0.277 4.063 4.340 0.000 0.000 0.286 87 Q C -0.278 175.846 176.000 0.206 0.000 1.229 87 Q CA 0.390 56.264 55.803 0.119 0.000 0.884 87 Q CB -2.430 26.431 28.738 0.205 0.000 1.245 87 Q HN 0.374 nan 8.270 nan 0.000 0.488 88 N N 0.514 119.297 118.700 0.139 0.000 2.429 88 N HA 0.184 4.924 4.740 0.000 0.000 0.271 88 N C 1.304 176.880 175.510 0.110 0.000 1.272 88 N CA 1.838 54.915 53.050 0.046 0.000 0.921 88 N CB 0.239 38.551 38.487 -0.291 0.000 1.128 88 N HN 0.536 nan 8.380 nan 0.000 0.481 89 G N 2.329 111.191 108.800 0.104 0.000 2.176 89 G HA2 -0.258 3.702 3.960 0.000 0.000 0.253 89 G HA3 -0.258 3.702 3.960 0.000 0.000 0.253 89 G C 0.290 175.242 174.900 0.086 0.000 0.979 89 G CA 0.715 45.873 45.100 0.095 0.000 0.641 89 G HN 0.828 nan 8.290 nan 0.000 0.530 90 T N -3.248 111.364 114.554 0.096 0.000 3.741 90 T HA 0.726 5.076 4.350 0.000 0.000 0.242 90 T C 1.541 176.265 174.700 0.041 0.000 1.042 90 T CA 0.911 63.054 62.100 0.072 0.000 1.278 90 T CB 0.750 69.692 68.868 0.124 0.000 0.994 90 T HN 1.378 nan 8.240 nan 0.000 0.594 91 A N 1.761 124.568 122.820 -0.023 0.000 1.986 91 A HA -0.080 4.240 4.320 0.000 0.000 0.220 91 A C 2.549 180.049 177.584 -0.141 0.000 1.171 91 A CA 2.037 53.987 52.037 -0.144 0.000 0.640 91 A CB -1.127 17.657 19.000 -0.361 0.000 0.811 91 A HN 0.802 nan 8.150 nan 0.000 0.451 92 S N -1.203 114.403 115.700 -0.156 0.000 2.462 92 S HA -0.148 4.323 4.470 0.000 0.000 0.243 92 S C 1.525 176.045 174.600 -0.133 0.000 1.003 92 S CA 1.722 59.776 58.200 -0.244 0.000 0.970 92 S CB -0.404 62.566 63.200 -0.384 0.000 0.762 92 S HN 0.437 nan 8.310 nan 0.000 0.510 93 M N 0.709 120.333 119.600 0.040 0.000 2.371 93 M HA 0.240 4.720 4.480 0.000 0.000 0.246 93 M C 1.165 177.641 176.300 0.294 0.000 1.103 93 M CA 0.275 55.725 55.300 0.250 0.000 1.010 93 M CB -0.589 32.166 32.600 0.259 0.000 1.457 93 M HN 0.251 nan 8.290 nan 0.000 0.486 94 D N 1.108 121.632 120.400 0.206 0.000 2.269 94 D HA 0.003 4.643 4.640 0.000 0.000 0.208 94 D C 1.352 177.866 176.300 0.358 0.000 0.963 94 D CA 1.580 55.757 54.000 0.295 0.000 0.864 94 D CB 0.227 41.212 40.800 0.308 0.000 0.936 94 D HN 0.534 nan 8.370 nan 0.000 0.505 95 G N -0.252 108.729 108.800 0.300 0.000 2.182 95 G HA2 -0.211 3.749 3.960 0.000 0.000 0.248 95 G HA3 -0.211 3.749 3.960 0.000 0.000 0.248 95 G C -0.073 174.877 174.900 0.083 0.000 1.042 95 G CA 0.314 45.584 45.100 0.283 0.000 0.775 95 G HN 0.303 nan 8.290 nan 0.000 0.501 96 V N 2.009 121.880 119.914 -0.072 0.000 2.334 96 V HA 0.446 4.566 4.120 0.000 0.000 0.281 96 V C -1.467 174.529 176.094 -0.164 0.000 1.016 96 V CA -1.865 60.271 62.300 -0.274 0.000 0.832 96 V CB 1.704 33.187 31.823 -0.566 0.000 0.999 96 V HN 0.226 nan 8.190 nan 0.000 0.439 97 P HA 0.109 nan 4.420 nan 0.000 0.265 97 P C 0.258 177.585 177.300 0.045 0.000 1.193 97 P CA 0.424 63.503 63.100 -0.034 0.000 0.765 97 P CB 0.184 31.960 31.700 0.127 0.000 0.823 98 F N -0.560 119.358 119.950 -0.054 0.000 2.973 98 F HA -0.246 4.281 4.527 0.000 0.000 0.299 98 F C 1.229 176.963 175.800 -0.110 0.000 0.737 98 F CA 0.460 58.430 58.000 -0.050 0.000 1.151 98 F CB -1.593 37.411 39.000 0.007 0.000 1.440 98 F HN 0.282 nan 8.300 nan 0.000 0.367 99 L N -2.549 118.603 121.223 -0.118 0.000 2.588 99 L HA 0.155 4.495 4.340 0.000 0.000 0.194 99 L C 1.870 178.615 176.870 -0.208 0.000 1.070 99 L CA 1.678 56.385 54.840 -0.222 0.000 0.852 99 L CB -0.379 41.426 42.059 -0.424 0.000 1.199 99 L HN 0.147 nan 8.230 nan 0.000 0.486 100 T N -0.739 113.691 114.554 -0.206 0.000 2.958 100 T HA 0.181 4.531 4.350 0.000 0.000 0.256 100 T C -0.095 174.504 174.700 -0.167 0.000 0.983 100 T CA -0.040 61.945 62.100 -0.192 0.000 0.924 100 T CB 0.927 69.701 68.868 -0.157 0.000 1.136 100 T HN 0.384 nan 8.240 nan 0.000 0.506 101 Q N -0.203 119.501 119.800 -0.161 0.000 2.687 101 Q HA 0.567 4.908 4.340 0.000 0.000 0.295 101 Q C -0.944 174.897 176.000 -0.265 0.000 0.920 101 Q CA -1.256 54.460 55.803 -0.145 0.000 0.766 101 Q CB 0.485 29.210 28.738 -0.022 0.000 1.467 101 Q HN 0.311 nan 8.270 nan 0.000 0.415 102 c N -1.500 116.934 118.600 -0.276 0.000 2.362 102 c HA 0.805 5.375 4.570 0.000 0.000 0.363 102 c C -2.208 171.741 174.090 -0.236 0.000 1.220 102 c CA -1.757 54.294 56.329 -0.462 0.000 2.379 102 c CB -0.121 42.173 42.510 -0.359 0.000 2.351 102 c HN 0.645 nan 8.230 nan 0.000 0.582 103 P HA 0.280 nan 4.420 nan 0.000 0.272 103 P C -0.565 176.756 177.300 0.036 0.000 1.223 103 P CA -0.003 63.098 63.100 0.001 0.000 0.784 103 P CB 0.244 32.001 31.700 0.096 0.000 0.923 104 I N 1.381 122.002 120.570 0.085 0.000 2.363 104 I HA 0.235 4.405 4.170 0.000 0.000 0.292 104 I C 0.938 177.115 176.117 0.100 0.000 1.075 104 I CA -0.355 61.000 61.300 0.092 0.000 1.333 104 I CB 0.143 38.222 38.000 0.132 0.000 1.415 104 I HN 0.315 nan 8.210 nan 0.000 0.502 105 A N 8.822 131.691 122.820 0.081 0.000 2.386 105 A HA 0.445 4.765 4.320 0.000 0.000 0.248 105 A C -2.295 175.346 177.584 0.095 0.000 1.082 105 A CA -1.352 50.737 52.037 0.086 0.000 0.789 105 A CB -0.331 18.711 19.000 0.070 0.000 1.025 105 A HN 0.436 nan 8.150 nan 0.000 0.490 106 P HA 0.150 nan 4.420 nan 0.000 0.258 106 P C 1.064 178.417 177.300 0.088 0.000 1.172 106 P CA 2.216 65.379 63.100 0.104 0.000 0.762 106 P CB 0.372 32.134 31.700 0.103 0.000 0.764 107 G N 2.003 110.857 108.800 0.091 0.000 2.254 107 G HA2 -0.222 3.738 3.960 0.000 0.000 0.225 107 G HA3 -0.222 3.738 3.960 0.000 0.000 0.225 107 G C 0.441 175.384 174.900 0.071 0.000 1.003 107 G CA -0.051 45.095 45.100 0.076 0.000 0.622 107 G HN 0.564 nan 8.290 nan 0.000 0.507 108 S N 0.630 116.375 115.700 0.075 0.000 2.617 108 S HA 0.637 5.107 4.470 0.000 0.000 0.269 108 S C 0.053 174.703 174.600 0.082 0.000 1.292 108 S CA 0.491 58.730 58.200 0.065 0.000 1.010 108 S CB 1.607 64.839 63.200 0.054 0.000 0.944 108 S HN 0.476 nan 8.310 nan 0.000 0.536 109 T N 2.554 117.150 114.554 0.069 0.000 2.847 109 T HA 0.431 4.782 4.350 0.000 0.000 0.291 109 T C -0.470 174.258 174.700 0.047 0.000 0.998 109 T CA -0.418 61.740 62.100 0.098 0.000 0.967 109 T CB 0.846 69.781 68.868 0.112 0.000 0.954 109 T HN 0.606 nan 8.240 nan 0.000 0.441 110 M N 4.556 124.172 119.600 0.026 0.000 2.300 110 M HA 0.680 5.160 4.480 0.000 0.000 0.348 110 M C -1.283 174.893 176.300 -0.207 0.000 1.151 110 M CA -1.018 54.176 55.300 -0.178 0.000 1.046 110 M CB 0.898 33.333 32.600 -0.275 0.000 1.647 110 M HN 0.456 nan 8.290 nan 0.000 0.451 111 L N 6.128 127.116 121.223 -0.391 0.000 2.257 111 L HA 0.423 4.763 4.340 0.000 0.000 0.290 111 L C -1.976 174.643 176.870 -0.418 0.000 1.044 111 L CA 0.028 54.618 54.840 -0.417 0.000 0.810 111 L CB 0.241 42.042 42.059 -0.431 0.000 1.193 111 L HN 0.650 nan 8.230 nan 0.000 0.425 112 Y N 4.691 124.947 120.300 -0.073 0.000 2.404 112 Y HA 0.405 4.955 4.550 0.000 0.000 0.344 112 Y C 0.431 176.312 175.900 -0.031 0.000 0.970 112 Y CA -0.160 58.017 58.100 0.128 0.000 1.180 112 Y CB 0.704 39.377 38.460 0.355 0.000 1.138 112 Y HN 0.624 nan 8.280 nan 0.000 0.510 113 N N 5.790 124.580 118.700 0.151 0.000 2.573 113 N HA 0.323 5.064 4.740 0.000 0.000 0.262 113 N C -1.764 173.795 175.510 0.081 0.000 1.029 113 N CA -0.559 52.460 53.050 -0.052 0.000 0.882 113 N CB 0.359 38.811 38.487 -0.057 0.000 1.204 113 N HN 0.460 nan 8.380 nan 0.000 0.519 114 F N -0.753 119.169 119.950 -0.046 0.000 2.668 114 F HA 0.658 5.185 4.527 0.000 0.000 0.309 114 F C -0.418 175.359 175.800 -0.038 0.000 1.117 114 F CA -0.884 57.093 58.000 -0.039 0.000 0.951 114 F CB 0.690 39.646 39.000 -0.074 0.000 1.323 114 F HN -0.053 nan 8.300 nan 0.000 0.451 115 T N 0.565 115.246 114.554 0.211 0.000 2.936 115 T HA 0.614 4.964 4.350 0.000 0.000 0.282 115 T C -0.683 174.143 174.700 0.210 0.000 1.003 115 T CA -0.717 61.460 62.100 0.129 0.000 1.005 115 T CB 1.965 70.884 68.868 0.085 0.000 1.097 115 T HN 0.572 nan 8.240 nan 0.000 0.532 116 V N 1.968 121.951 119.914 0.116 0.000 2.361 116 V HA 0.197 4.317 4.120 0.000 0.000 0.252 116 V C -0.365 175.720 176.094 -0.015 0.000 0.986 116 V CA -0.439 61.904 62.300 0.072 0.000 1.033 116 V CB 0.129 32.014 31.823 0.103 0.000 1.282 116 V HN 0.839 nan 8.190 nan 0.000 0.514 117 D N 0.600 120.956 120.400 -0.073 0.000 2.333 117 D HA 0.005 4.645 4.640 0.000 0.000 0.208 117 D C 0.898 176.882 176.300 -0.528 0.000 0.984 117 D CA 0.861 54.646 54.000 -0.359 0.000 0.873 117 D CB 0.178 40.607 40.800 -0.618 0.000 0.935 117 D HN 0.643 nan 8.370 nan 0.000 0.521 118 Y N -0.463 119.858 120.300 0.034 0.000 2.527 118 Y HA 0.363 4.913 4.550 0.000 0.000 0.247 118 Y C -0.215 175.677 175.900 -0.015 0.000 1.138 118 Y CA -0.697 57.456 58.100 0.089 0.000 1.228 118 Y CB 0.213 38.808 38.460 0.226 0.000 1.252 118 Y HN -0.217 nan 8.280 nan 0.000 0.531 119 N N -0.263 118.403 118.700 -0.056 0.000 2.269 119 N HA 0.656 5.396 4.740 0.000 0.000 0.304 119 N C -1.587 173.923 175.510 0.000 0.000 1.072 119 N CA -0.544 52.394 53.050 -0.188 0.000 0.802 119 N CB 2.789 40.886 38.487 -0.650 0.000 1.348 119 N HN -0.242 nan 8.380 nan 0.000 0.484 120 V N 0.756 120.772 119.914 0.170 0.000 2.841 120 V HA 0.920 5.040 4.120 0.000 0.000 0.310 120 V C 0.514 176.803 176.094 0.325 0.000 1.090 120 V CA 0.166 62.597 62.300 0.217 0.000 0.930 120 V CB 1.310 33.223 31.823 0.149 0.000 1.014 120 V HN 0.953 nan 8.190 nan 0.000 0.425 121 G N 3.961 112.905 108.800 0.239 0.000 2.418 121 G HA2 -0.082 3.878 3.960 0.000 0.000 0.206 121 G HA3 -0.082 3.878 3.960 0.000 0.000 0.206 121 G C -0.248 174.639 174.900 -0.022 0.000 1.202 121 G CA -0.158 44.967 45.100 0.040 0.000 1.061 121 G HN 0.835 nan 8.290 nan 0.000 0.563 122 T N 1.337 115.688 114.554 -0.338 0.000 2.744 122 T HA 0.695 5.045 4.350 0.000 0.000 0.291 122 T C -0.866 173.499 174.700 -0.558 0.000 0.957 122 T CA 0.292 62.219 62.100 -0.288 0.000 1.002 122 T CB 0.882 69.597 68.868 -0.255 0.000 0.919 122 T HN 0.518 nan 8.240 nan 0.000 0.468 123 Y N 1.015 121.388 120.300 0.122 0.000 2.705 123 Y HA 0.767 5.317 4.550 0.000 0.000 0.332 123 Y C -0.692 175.420 175.900 0.354 0.000 1.157 123 Y CA -1.240 56.979 58.100 0.199 0.000 1.091 123 Y CB 1.669 40.194 38.460 0.108 0.000 1.301 123 Y HN 0.715 nan 8.280 nan 0.000 0.488 124 W N 0.596 121.994 121.300 0.163 0.000 3.074 124 W HA 0.607 5.267 4.660 0.000 0.000 0.332 124 W C -2.361 174.197 176.519 0.065 0.000 1.253 124 W CA -1.926 55.461 57.345 0.070 0.000 1.180 124 W CB 0.278 29.642 29.460 -0.161 0.000 1.445 124 W HN 0.593 nan 8.180 nan 0.000 0.573 125 Y N 0.572 120.832 120.300 -0.068 0.000 2.485 125 Y HA 0.789 5.339 4.550 0.000 0.000 0.345 125 Y C -0.748 174.828 175.900 -0.540 0.000 0.998 125 Y CA -1.204 56.581 58.100 -0.525 0.000 1.059 125 Y CB 1.592 39.817 38.460 -0.391 0.000 1.234 125 Y HN 0.683 nan 8.280 nan 0.000 0.461 126 H N -1.053 117.643 119.070 -0.622 0.000 3.042 126 H HA 0.521 5.077 4.556 0.000 0.000 0.346 126 H C -1.161 173.968 175.328 -0.331 0.000 1.294 126 H CA -1.125 54.583 56.048 -0.568 0.000 1.141 126 H CB 1.049 30.226 29.762 -0.976 0.000 1.872 126 H HN 0.768 nan 8.280 nan 0.000 0.541 127 S N -0.016 115.666 115.700 -0.031 0.000 2.560 127 S HA -0.014 4.456 4.470 0.000 0.000 0.284 127 S C 0.097 174.848 174.600 0.251 0.000 1.327 127 S CA -0.223 58.006 58.200 0.048 0.000 1.055 127 S CB -0.013 63.208 63.200 0.035 0.000 0.868 127 S HN 0.826 nan 8.310 nan 0.000 0.506 128 H N 3.143 122.293 119.070 0.133 0.000 2.581 128 H HA 0.278 4.834 4.556 0.000 0.000 0.275 128 H C 0.695 176.105 175.328 0.138 0.000 1.126 128 H CA -0.002 56.155 56.048 0.183 0.000 1.097 128 H CB -0.044 29.794 29.762 0.127 0.000 1.626 128 H HN 0.587 nan 8.280 nan 0.000 0.565 129 T N -0.125 114.555 114.554 0.210 0.000 3.560 129 T HA -0.010 4.340 4.350 0.000 0.000 0.350 129 T C 0.985 175.748 174.700 0.106 0.000 1.264 129 T CA -0.138 62.064 62.100 0.170 0.000 0.924 129 T CB 0.497 69.455 68.868 0.150 0.000 1.997 129 T HN 0.202 nan 8.240 nan 0.000 0.553 130 D N 0.468 120.914 120.400 0.077 0.000 2.049 130 D HA 0.099 4.740 4.640 0.000 0.000 0.233 130 D C 1.889 178.132 176.300 -0.096 0.000 0.994 130 D CA 1.439 55.455 54.000 0.026 0.000 0.925 130 D CB -0.433 40.396 40.800 0.049 0.000 1.146 130 D HN 0.606 nan 8.370 nan 0.000 0.472 131 G N -1.069 107.641 108.800 -0.150 0.000 3.192 131 G HA2 0.002 3.962 3.960 0.000 0.000 0.239 131 G HA3 0.002 3.962 3.960 0.000 0.000 0.239 131 G C 1.007 175.735 174.900 -0.286 0.000 1.084 131 G CA -0.099 44.785 45.100 -0.360 0.000 0.784 131 G HN 0.104 nan 8.290 nan 0.000 0.540 132 Q N 0.004 119.743 119.800 -0.101 0.000 2.165 132 Q HA -0.349 3.991 4.340 0.000 0.000 0.215 132 Q C 2.106 178.082 176.000 -0.039 0.000 1.010 132 Q CA 2.669 58.458 55.803 -0.023 0.000 0.896 132 Q CB -0.357 28.401 28.738 0.033 0.000 0.956 132 Q HN 0.798 nan 8.270 nan 0.000 0.413 133 Y N -0.284 119.956 120.300 -0.100 0.000 2.293 133 Y HA -0.083 4.467 4.550 0.000 0.000 0.291 133 Y C 1.691 177.568 175.900 -0.040 0.000 1.137 133 Y CA 1.212 59.257 58.100 -0.090 0.000 1.202 133 Y CB -0.410 38.007 38.460 -0.073 0.000 0.990 133 Y HN 0.023 nan 8.280 nan 0.000 0.537 134 E N 0.778 120.724 120.200 -0.422 0.000 2.160 134 E HA -0.185 4.165 4.350 0.000 0.000 0.195 134 E C 0.843 177.427 176.600 -0.028 0.000 0.991 134 E CA 1.415 57.664 56.400 -0.251 0.000 0.810 134 E CB -0.331 29.108 29.700 -0.434 0.000 0.742 134 E HN 0.655 nan 8.360 nan 0.000 0.466 135 D N -0.880 119.508 120.400 -0.020 0.000 2.323 135 D HA 0.091 4.731 4.640 0.000 0.000 0.239 135 D C 1.102 177.536 176.300 0.223 0.000 1.129 135 D CA 0.741 54.792 54.000 0.086 0.000 0.865 135 D CB 0.527 41.417 40.800 0.150 0.000 0.913 135 D HN 0.339 nan 8.370 nan 0.000 0.517 136 G N 0.851 109.833 108.800 0.304 0.000 2.255 136 G HA2 -0.247 3.713 3.960 0.000 0.000 0.196 136 G HA3 -0.247 3.713 3.960 0.000 0.000 0.196 136 G C 0.468 175.461 174.900 0.156 0.000 0.998 136 G CA -0.093 45.305 45.100 0.497 0.000 0.656 136 G HN 0.332 nan 8.290 nan 0.000 0.490 137 M N 2.109 121.630 119.600 -0.131 0.000 3.011 137 M HA 0.451 4.931 4.480 0.000 0.000 0.292 137 M C 0.115 176.070 176.300 -0.574 0.000 1.440 137 M CA 0.246 55.099 55.300 -0.745 0.000 1.552 137 M CB -0.554 31.699 32.600 -0.577 0.000 1.187 137 M HN 0.365 nan 8.290 nan 0.000 0.520 138 K N 1.993 122.032 120.400 -0.602 0.000 2.587 138 K HA 0.870 5.190 4.320 0.000 0.000 0.276 138 K C -1.174 175.072 176.600 -0.590 0.000 0.956 138 K CA -1.216 54.790 56.287 -0.469 0.000 0.857 138 K CB 1.436 33.922 32.500 -0.024 0.000 1.431 138 K HN 0.414 nan 8.250 nan 0.000 0.420 139 G N 1.253 109.498 108.800 -0.925 0.000 2.601 139 G HA2 0.456 4.416 3.960 0.000 0.000 0.291 139 G HA3 0.456 4.416 3.960 0.000 0.000 0.291 139 G C -1.550 173.122 174.900 -0.380 0.000 1.456 139 G CA -1.189 43.502 45.100 -0.683 0.000 0.804 139 G HN 0.395 nan 8.290 nan 0.000 0.499 140 L N 0.034 121.231 121.223 -0.044 0.000 2.375 140 L HA 0.593 4.933 4.340 0.000 0.000 0.271 140 L C -0.811 176.253 176.870 0.323 0.000 1.107 140 L CA -0.654 54.262 54.840 0.127 0.000 0.806 140 L CB 1.413 43.477 42.059 0.007 0.000 1.146 140 L HN 0.435 nan 8.230 nan 0.000 0.447 141 F N 3.391 123.491 119.950 0.251 0.000 2.500 141 F HA 0.529 5.056 4.527 0.000 0.000 0.349 141 F C -0.479 175.447 175.800 0.210 0.000 1.127 141 F CA -0.396 57.766 58.000 0.269 0.000 0.998 141 F CB 0.926 40.133 39.000 0.345 0.000 1.237 141 F HN 0.170 nan 8.300 nan 0.000 0.439 142 I N 6.817 127.460 120.570 0.121 0.000 2.378 142 I HA 0.395 4.565 4.170 0.000 0.000 0.291 142 I C -0.665 175.518 176.117 0.110 0.000 0.992 142 I CA -0.446 60.936 61.300 0.136 0.000 1.154 142 I CB 1.580 39.585 38.000 0.010 0.000 1.315 142 I HN 0.368 nan 8.210 nan 0.000 0.448 143 I N 6.682 127.386 120.570 0.223 0.000 2.362 143 I HA 0.326 4.496 4.170 0.000 0.000 0.289 143 I C -0.169 176.001 176.117 0.089 0.000 0.994 143 I CA -0.671 60.723 61.300 0.157 0.000 1.158 143 I CB 1.125 39.254 38.000 0.214 0.000 1.315 143 I HN 0.416 nan 8.210 nan 0.000 0.451 144 K N 5.435 125.862 120.400 0.044 0.000 2.144 144 K HA 0.326 4.646 4.320 0.000 0.000 0.270 144 K C -0.641 175.989 176.600 0.050 0.000 1.005 144 K CA -0.498 55.805 56.287 0.027 0.000 0.932 144 K CB 0.846 33.358 32.500 0.020 0.000 1.021 144 K HN 0.633 nan 8.250 nan 0.000 0.462 145 D N 0.945 121.382 120.400 0.062 0.000 2.738 145 D HA 0.134 4.774 4.640 0.000 0.000 0.237 145 D C -0.566 175.788 176.300 0.090 0.000 1.123 145 D CA -0.501 53.546 54.000 0.078 0.000 0.856 145 D CB 1.788 42.645 40.800 0.095 0.000 1.552 145 D HN 0.307 nan 8.370 nan 0.000 0.480 146 D N 0.342 120.781 120.400 0.065 0.000 2.310 146 D HA -0.089 4.551 4.640 0.000 0.000 0.212 146 D C 1.171 177.508 176.300 0.062 0.000 0.965 146 D CA 1.123 55.157 54.000 0.056 0.000 0.879 146 D CB 0.150 40.970 40.800 0.033 0.000 0.921 146 D HN 0.434 nan 8.370 nan 0.000 0.510 147 S N -0.374 115.366 115.700 0.067 0.000 2.506 147 S HA 0.173 4.643 4.470 0.000 0.000 0.245 147 S C 0.068 174.673 174.600 0.008 0.000 1.088 147 S CA -0.846 57.372 58.200 0.030 0.000 1.099 147 S CB -0.712 62.500 63.200 0.020 0.000 0.805 147 S HN 0.033 nan 8.310 nan 0.000 0.461 148 F N 4.521 124.420 119.950 -0.085 0.000 2.506 148 F HA 0.338 4.865 4.527 0.000 0.000 0.371 148 F C -1.093 174.556 175.800 -0.251 0.000 1.078 148 F CA -2.067 55.849 58.000 -0.139 0.000 1.195 148 F CB 0.867 39.870 39.000 0.005 0.000 1.099 148 F HN 0.117 nan 8.300 nan 0.000 0.548 149 P HA -0.144 nan 4.420 nan 0.000 0.223 149 P C -0.713 176.082 177.300 -0.841 0.000 1.151 149 P CA 1.344 63.785 63.100 -1.098 0.000 0.787 149 P CB -0.037 30.522 31.700 -1.902 0.000 0.788 150 Y N -0.033 120.014 120.300 -0.422 0.000 2.457 150 Y HA 0.384 4.934 4.550 0.000 0.000 0.333 150 Y C 0.682 176.724 175.900 0.237 0.000 1.119 150 Y CA -1.435 56.636 58.100 -0.047 0.000 1.143 150 Y CB 0.756 39.202 38.460 -0.024 0.000 1.230 150 Y HN -0.275 nan 8.280 nan 0.000 0.469 151 D N 1.323 121.924 120.400 0.335 0.000 2.225 151 D HA 0.288 4.928 4.640 0.000 0.000 0.249 151 D C -1.011 175.475 176.300 0.310 0.000 1.052 151 D CA 0.024 54.143 54.000 0.199 0.000 0.909 151 D CB 1.117 41.970 40.800 0.089 0.000 1.186 151 D HN 0.525 nan 8.370 nan 0.000 0.431 152 Y N -1.838 118.538 120.300 0.127 0.000 2.581 152 Y HA 0.390 4.940 4.550 0.000 0.000 0.337 152 Y C -0.023 175.879 175.900 0.003 0.000 1.108 152 Y CA -0.929 57.216 58.100 0.074 0.000 1.033 152 Y CB 1.077 39.590 38.460 0.089 0.000 1.318 152 Y HN 0.038 nan 8.280 nan 0.000 0.459 153 D N 0.506 120.947 120.400 0.069 0.000 2.216 153 D HA 0.050 4.690 4.640 0.000 0.000 0.208 153 D C -0.116 176.168 176.300 -0.028 0.000 0.960 153 D CA 1.199 55.160 54.000 -0.065 0.000 0.861 153 D CB 0.619 41.324 40.800 -0.159 0.000 0.985 153 D HN 0.626 nan 8.370 nan 0.000 0.493 154 E N 0.269 120.475 120.200 0.010 0.000 2.429 154 E HA 0.377 4.727 4.350 0.000 0.000 0.276 154 E C -0.694 176.026 176.600 0.199 0.000 0.953 154 E CA -0.520 55.904 56.400 0.041 0.000 0.787 154 E CB 2.665 32.235 29.700 -0.217 0.000 1.307 154 E HN 0.148 nan 8.360 nan 0.000 0.458 155 E N 0.968 121.280 120.200 0.186 0.000 2.356 155 E HA 0.736 5.086 4.350 0.000 0.000 0.275 155 E C -0.774 175.850 176.600 0.039 0.000 0.904 155 E CA -0.901 55.529 56.400 0.051 0.000 0.757 155 E CB 2.091 31.741 29.700 -0.082 0.000 1.232 155 E HN 0.453 nan 8.360 nan 0.000 0.442 156 L N -1.544 119.636 121.223 -0.071 0.000 2.765 156 L HA 0.810 5.150 4.340 0.000 0.000 0.263 156 L C -1.334 175.385 176.870 -0.252 0.000 1.068 156 L CA -0.881 53.864 54.840 -0.158 0.000 0.903 156 L CB 2.072 43.997 42.059 -0.223 0.000 1.512 156 L HN 0.556 nan 8.230 nan 0.000 0.404 157 S N 0.530 116.064 115.700 -0.277 0.000 2.599 157 S HA 0.824 5.294 4.470 0.000 0.000 0.294 157 S C -0.921 173.460 174.600 -0.366 0.000 1.094 157 S CA -0.704 57.310 58.200 -0.309 0.000 0.931 157 S CB 1.900 64.952 63.200 -0.246 0.000 1.093 157 S HN 0.536 nan 8.310 nan 0.000 0.488 158 L N 1.685 122.671 121.223 -0.394 0.000 2.376 158 L HA 0.474 4.814 4.340 0.000 0.000 0.275 158 L C -0.549 176.096 176.870 -0.374 0.000 0.987 158 L CA -0.523 54.087 54.840 -0.384 0.000 0.828 158 L CB 2.048 43.851 42.059 -0.427 0.000 1.249 158 L HN 0.539 nan 8.230 nan 0.000 0.409 159 S N 4.742 120.249 115.700 -0.323 0.000 2.464 159 S HA 0.466 4.937 4.470 0.000 0.000 0.313 159 S C 0.031 174.447 174.600 -0.307 0.000 1.078 159 S CA -0.579 57.420 58.200 -0.335 0.000 1.096 159 S CB -0.006 63.018 63.200 -0.294 0.000 1.032 159 S HN 0.331 nan 8.310 nan 0.000 0.498 160 L N 2.693 123.710 121.223 -0.344 0.000 2.417 160 L HA 0.629 4.969 4.340 0.000 0.000 0.268 160 L C 0.635 177.337 176.870 -0.281 0.000 1.158 160 L CA -0.229 54.434 54.840 -0.294 0.000 0.819 160 L CB 0.858 42.728 42.059 -0.314 0.000 1.112 160 L HN 0.575 nan 8.230 nan 0.000 0.458 161 S N 0.660 116.231 115.700 -0.215 0.000 2.611 161 S HA 0.355 4.825 4.470 0.000 0.000 0.268 161 S C -1.527 172.997 174.600 -0.126 0.000 1.156 161 S CA -0.857 57.253 58.200 -0.149 0.000 0.817 161 S CB 1.741 64.913 63.200 -0.047 0.000 1.122 161 S HN 0.721 nan 8.310 nan 0.000 0.466 162 E N 1.561 121.723 120.200 -0.063 0.000 2.239 162 E HA 0.363 4.713 4.350 0.000 0.000 0.261 162 E C -1.273 175.460 176.600 0.221 0.000 1.016 162 E CA -0.740 55.634 56.400 -0.043 0.000 0.882 162 E CB 1.220 30.830 29.700 -0.150 0.000 1.190 162 E HN 0.731 nan 8.360 nan 0.000 0.415 163 W N 2.126 123.383 121.300 -0.071 0.000 2.839 163 W HA 0.383 5.043 4.660 0.000 0.000 0.334 163 W C -1.730 174.784 176.519 -0.008 0.000 1.064 163 W CA -0.765 56.609 57.345 0.049 0.000 1.236 163 W CB 1.461 30.976 29.460 0.091 0.000 1.405 163 W HN 0.495 nan 8.180 nan 0.000 0.478 164 Y N 2.947 122.950 120.300 -0.496 0.000 2.453 164 Y HA 0.219 4.769 4.550 0.000 0.000 0.326 164 Y C 1.491 177.164 175.900 -0.378 0.000 1.186 164 Y CA -0.159 57.745 58.100 -0.328 0.000 1.200 164 Y CB 1.342 39.679 38.460 -0.205 0.000 1.247 164 Y HN 0.434 nan 8.280 nan 0.000 0.482 165 H N -0.458 118.571 119.070 -0.069 0.000 2.563 165 H HA 0.101 4.657 4.556 0.000 0.000 0.264 165 H C -0.795 174.524 175.328 -0.016 0.000 0.957 165 H CA 0.068 56.105 56.048 -0.018 0.000 1.173 165 H CB 0.563 30.361 29.762 0.060 0.000 1.420 165 H HN 0.697 nan 8.280 nan 0.000 0.551 166 D N 0.555 121.020 120.400 0.108 0.000 2.252 166 D HA 0.261 4.902 4.640 0.000 0.000 0.245 166 D C -0.630 175.647 176.300 -0.038 0.000 1.009 166 D CA -0.690 53.329 54.000 0.031 0.000 0.870 166 D CB 2.014 42.836 40.800 0.037 0.000 1.251 166 D HN -0.053 nan 8.370 nan 0.000 0.460 167 L N 0.991 122.182 121.223 -0.054 0.000 2.467 167 L HA 0.064 4.404 4.340 0.000 0.000 0.270 167 L C 1.506 178.346 176.870 -0.050 0.000 1.205 167 L CA -0.233 54.573 54.840 -0.055 0.000 0.828 167 L CB 0.234 42.248 42.059 -0.074 0.000 1.101 167 L HN 0.354 nan 8.230 nan 0.000 0.479 168 V N 0.503 120.384 119.914 -0.055 0.000 2.332 168 V HA -0.282 3.838 4.120 0.000 0.000 0.248 168 V C 2.182 178.295 176.094 0.032 0.000 1.055 168 V CA 2.353 64.627 62.300 -0.042 0.000 1.038 168 V CB -1.049 30.669 31.823 -0.176 0.000 0.651 168 V HN 1.056 nan 8.190 nan 0.000 0.450 169 T N -0.007 114.561 114.554 0.023 0.000 2.685 169 T HA -0.241 4.109 4.350 0.000 0.000 0.268 169 T C 1.630 176.345 174.700 0.025 0.000 1.034 169 T CA 1.967 64.085 62.100 0.031 0.000 1.149 169 T CB -0.413 68.462 68.868 0.012 0.000 0.860 169 T HN 0.549 nan 8.240 nan 0.000 0.449 170 D N 0.923 121.323 120.400 -0.000 0.000 2.123 170 D HA 0.032 4.672 4.640 0.000 0.000 0.200 170 D C 2.245 178.554 176.300 0.015 0.000 0.976 170 D CA 0.649 54.648 54.000 -0.001 0.000 0.831 170 D CB -0.416 40.372 40.800 -0.020 0.000 0.974 170 D HN 0.320 nan 8.370 nan 0.000 0.469 171 L N 0.813 122.044 121.223 0.014 0.000 2.042 171 L HA -0.155 4.185 4.340 0.000 0.000 0.210 171 L C 2.438 179.336 176.870 0.048 0.000 1.076 171 L CA 1.187 56.016 54.840 -0.019 0.000 0.749 171 L CB -0.774 41.235 42.059 -0.083 0.000 0.893 171 L HN 0.034 nan 8.230 nan 0.000 0.432 172 T N -0.518 114.126 114.554 0.150 0.000 2.881 172 T HA -0.170 4.180 4.350 0.000 0.000 0.270 172 T C 1.861 176.650 174.700 0.150 0.000 1.068 172 T CA 1.094 63.342 62.100 0.247 0.000 1.131 172 T CB -0.078 68.933 68.868 0.238 0.000 0.871 172 T HN 0.322 nan 8.240 nan 0.000 0.479 173 K N 1.416 121.868 120.400 0.087 0.000 2.097 173 K HA -0.067 4.253 4.320 0.000 0.000 0.206 173 K C 2.568 179.202 176.600 0.058 0.000 1.049 173 K CA 1.702 58.024 56.287 0.058 0.000 0.933 173 K CB -0.101 32.424 32.500 0.042 0.000 0.717 173 K HN 0.428 nan 8.250 nan 0.000 0.442 174 S N -0.345 115.392 115.700 0.061 0.000 2.517 174 S HA 0.022 4.492 4.470 0.000 0.000 0.214 174 S C 1.593 176.234 174.600 0.069 0.000 0.991 174 S CA -0.324 57.913 58.200 0.063 0.000 0.906 174 S CB -0.155 63.068 63.200 0.038 0.000 0.789 174 S HN 0.250 nan 8.310 nan 0.000 0.513 175 F N 2.173 122.058 119.950 -0.107 0.000 2.118 175 F HA 0.469 4.996 4.527 0.000 0.000 0.293 175 F C 0.969 176.699 175.800 -0.117 0.000 1.102 175 F CA 0.369 58.270 58.000 -0.165 0.000 1.247 175 F CB -0.196 38.657 39.000 -0.245 0.000 1.017 175 F HN 0.170 nan 8.300 nan 0.000 0.475 176 M N 1.514 120.915 119.600 -0.332 0.000 2.923 176 M HA 0.240 4.720 4.480 0.000 0.000 0.311 176 M C -0.622 175.526 176.300 -0.252 0.000 1.376 176 M CA 0.066 55.092 55.300 -0.456 0.000 1.468 176 M CB -0.004 32.411 32.600 -0.307 0.000 1.151 176 M HN 0.115 nan 8.290 nan 0.000 0.517 177 S N 0.800 116.353 115.700 -0.244 0.000 2.556 177 S HA 0.473 4.944 4.470 0.000 0.000 0.271 177 S C 0.825 175.303 174.600 -0.204 0.000 1.135 177 S CA -0.797 57.315 58.200 -0.147 0.000 0.858 177 S CB 1.082 64.280 63.200 -0.004 0.000 1.114 177 S HN 0.446 nan 8.310 nan 0.000 0.468 178 V N 1.912 121.640 119.914 -0.310 0.000 2.759 178 V HA 0.024 4.144 4.120 0.000 0.000 0.256 178 V C 1.220 177.087 176.094 -0.378 0.000 1.080 178 V CA 1.275 63.344 62.300 -0.385 0.000 1.101 178 V CB -1.617 29.900 31.823 -0.509 0.000 0.698 178 V HN 0.868 nan 8.190 nan 0.000 0.477 179 Y N 0.828 121.102 120.300 -0.043 0.000 2.462 179 Y HA 0.350 4.900 4.550 0.000 0.000 0.293 179 Y C 1.262 177.140 175.900 -0.037 0.000 1.195 179 Y CA 0.242 58.323 58.100 -0.032 0.000 1.276 179 Y CB -0.133 38.311 38.460 -0.026 0.000 1.082 179 Y HN 0.383 nan 8.280 nan 0.000 0.514 180 N N 0.051 118.761 118.700 0.016 0.000 2.703 180 N HA 0.218 4.959 4.740 0.000 0.000 0.283 180 N C -2.529 172.947 175.510 -0.058 0.000 1.851 180 N CA -1.951 51.092 53.050 -0.013 0.000 0.826 180 N CB 0.677 39.143 38.487 -0.035 0.000 1.239 180 N HN -0.145 nan 8.380 nan 0.000 0.495 181 P HA 0.046 nan 4.420 nan 0.000 0.229 181 P C 0.926 178.221 177.300 -0.008 0.000 1.160 181 P CA 0.840 63.925 63.100 -0.026 0.000 0.777 181 P CB 0.400 32.099 31.700 -0.002 0.000 0.814 182 T N -1.358 113.200 114.554 0.005 0.000 3.023 182 T HA 0.132 4.482 4.350 0.000 0.000 0.266 182 T C 1.513 176.234 174.700 0.035 0.000 1.093 182 T CA 1.234 63.351 62.100 0.028 0.000 1.129 182 T CB -0.888 68.004 68.868 0.039 0.000 0.899 182 T HN 0.277 nan 8.240 nan 0.000 0.491 183 G N 1.568 110.367 108.800 -0.002 0.000 2.153 183 G HA2 -0.165 3.795 3.960 0.000 0.000 0.252 183 G HA3 -0.165 3.795 3.960 0.000 0.000 0.252 183 G C 0.265 175.265 174.900 0.166 0.000 0.994 183 G CA 0.021 45.122 45.100 0.002 0.000 0.698 183 G HN 0.912 nan 8.290 nan 0.000 0.521 184 A N 0.714 123.608 122.820 0.122 0.000 2.561 184 A HA 0.444 4.764 4.320 0.000 0.000 0.251 184 A C 1.006 178.657 177.584 0.112 0.000 1.062 184 A CA 0.888 52.993 52.037 0.113 0.000 0.761 184 A CB 0.224 19.261 19.000 0.062 0.000 0.986 184 A HN 0.944 nan 8.150 nan 0.000 0.510 185 E N 4.337 124.500 120.200 -0.061 0.000 2.331 185 E HA 0.355 4.706 4.350 0.000 0.000 0.272 185 E C -2.697 173.540 176.600 -0.605 0.000 1.036 185 E CA -2.378 53.638 56.400 -0.641 0.000 0.864 185 E CB 0.148 29.222 29.700 -1.043 0.000 1.035 185 E HN 0.420 nan 8.360 nan 0.000 0.408 186 P HA 0.132 nan 4.420 nan 0.000 0.268 186 P C -0.190 177.110 177.300 -0.000 0.000 1.204 186 P CA 0.085 62.909 63.100 -0.460 0.000 0.768 186 P CB 0.448 31.727 31.700 -0.702 0.000 0.842 187 I N 5.588 126.216 120.570 0.097 0.000 2.371 187 I HA 0.219 4.390 4.170 0.000 0.000 0.290 187 I C -1.625 174.483 176.117 -0.015 0.000 1.028 187 I CA -2.296 59.071 61.300 0.112 0.000 1.345 187 I CB 0.856 38.854 38.000 -0.004 0.000 1.407 187 I HN 0.238 nan 8.210 nan 0.000 0.501 188 P HA 0.131 nan 4.420 nan 0.000 0.274 188 P C -0.496 176.610 177.300 -0.324 0.000 1.256 188 P CA -0.261 62.355 63.100 -0.807 0.000 0.795 188 P CB 0.940 32.266 31.700 -0.623 0.000 1.038 189 Q N -0.572 119.051 119.800 -0.294 0.000 2.396 189 Q HA 0.242 4.582 4.340 0.000 0.000 0.220 189 Q C -0.010 175.973 176.000 -0.029 0.000 0.900 189 Q CA 0.994 56.657 55.803 -0.234 0.000 0.925 189 Q CB 0.254 28.632 28.738 -0.601 0.000 1.065 189 Q HN 0.426 nan 8.270 nan 0.000 0.535 190 N N -1.175 117.592 118.700 0.112 0.000 2.859 190 N HA 0.296 5.036 4.740 0.000 0.000 0.250 190 N C -1.641 173.952 175.510 0.137 0.000 1.341 190 N CA -0.436 52.728 53.050 0.189 0.000 0.881 190 N CB 1.268 39.860 38.487 0.175 0.000 1.516 190 N HN -0.044 nan 8.380 nan 0.000 0.503 191 L N 1.884 123.127 121.223 0.032 0.000 2.350 191 L HA 0.591 4.931 4.340 0.000 0.000 0.275 191 L C 0.382 177.202 176.870 -0.084 0.000 1.099 191 L CA -0.665 54.082 54.840 -0.155 0.000 0.808 191 L CB 0.573 42.450 42.059 -0.303 0.000 1.149 191 L HN 0.515 nan 8.230 nan 0.000 0.442 192 I N 0.458 120.968 120.570 -0.101 0.000 2.892 192 I HA 0.796 4.966 4.170 0.000 0.000 0.306 192 I C -0.697 175.328 176.117 -0.153 0.000 1.078 192 I CA -1.022 60.206 61.300 -0.119 0.000 1.032 192 I CB 2.219 40.141 38.000 -0.131 0.000 1.229 192 I HN 0.265 nan 8.210 nan 0.000 0.435 193 V N 0.563 120.379 119.914 -0.164 0.000 2.735 193 V HA 0.539 4.660 4.120 0.000 0.000 0.310 193 V C 0.014 176.001 176.094 -0.178 0.000 1.061 193 V CA -0.821 61.373 62.300 -0.177 0.000 0.913 193 V CB 1.079 32.801 31.823 -0.169 0.000 1.005 193 V HN 0.935 nan 8.190 nan 0.000 0.428 194 N N 3.123 121.706 118.700 -0.196 0.000 2.701 194 N HA -0.245 4.495 4.740 0.000 0.000 0.250 194 N C 0.454 175.859 175.510 -0.174 0.000 1.046 194 N CA 1.283 54.219 53.050 -0.189 0.000 0.733 194 N CB -1.167 37.214 38.487 -0.176 0.000 0.973 194 N HN 0.997 nan 8.380 nan 0.000 0.541 195 N N -3.237 115.356 118.700 -0.179 0.000 2.747 195 N HA -0.203 4.537 4.740 0.000 0.000 0.249 195 N C -0.285 175.120 175.510 -0.175 0.000 1.107 195 N CA 1.642 54.584 53.050 -0.180 0.000 0.707 195 N CB -1.633 36.767 38.487 -0.146 0.000 1.054 195 N HN 0.730 nan 8.380 nan 0.000 0.555 196 T N -3.396 111.057 114.554 -0.168 0.000 2.647 196 T HA 0.749 5.099 4.350 0.000 0.000 0.295 196 T C 0.104 174.718 174.700 -0.143 0.000 1.126 196 T CA -0.913 61.097 62.100 -0.150 0.000 1.040 196 T CB 2.093 70.902 68.868 -0.099 0.000 1.472 196 T HN -0.015 nan 8.240 nan 0.000 0.500 197 M N 1.372 120.905 119.600 -0.111 0.000 2.777 197 M HA 0.431 4.911 4.480 0.000 0.000 0.307 197 M C -0.675 175.555 176.300 -0.117 0.000 1.228 197 M CA -0.698 54.537 55.300 -0.108 0.000 0.871 197 M CB 1.381 33.940 32.600 -0.068 0.000 1.721 197 M HN 1.007 nan 8.290 nan 0.000 0.487 198 N N 0.211 118.798 118.700 -0.188 0.000 2.669 198 N HA -0.191 4.550 4.740 0.000 0.000 0.266 198 N C -1.270 174.097 175.510 -0.239 0.000 1.024 198 N CA 0.129 52.990 53.050 -0.314 0.000 0.766 198 N CB -1.667 36.762 38.487 -0.097 0.000 0.898 198 N HN 0.528 nan 8.380 nan 0.000 0.548 199 L N -0.328 120.731 121.223 -0.273 0.000 2.375 199 L HA 0.581 4.922 4.340 0.000 0.000 0.271 199 L C 0.065 176.915 176.870 -0.034 0.000 1.107 199 L CA 0.080 54.851 54.840 -0.116 0.000 0.806 199 L CB 1.316 43.300 42.059 -0.124 0.000 1.146 199 L HN 0.337 nan 8.230 nan 0.000 0.447 200 T N 3.810 118.425 114.554 0.101 0.000 2.795 200 T HA 0.296 4.646 4.350 0.000 0.000 0.282 200 T C -1.502 173.313 174.700 0.193 0.000 0.980 200 T CA 0.155 62.367 62.100 0.187 0.000 1.012 200 T CB 0.503 69.472 68.868 0.169 0.000 0.936 200 T HN 0.572 nan 8.240 nan 0.000 0.457 201 W N 4.205 125.483 121.300 -0.036 0.000 2.393 201 W HA 0.424 5.084 4.660 0.000 0.000 0.315 201 W C -0.773 175.678 176.519 -0.113 0.000 1.009 201 W CA -1.462 55.822 57.345 -0.103 0.000 1.313 201 W CB 0.397 29.763 29.460 -0.157 0.000 1.269 201 W HN 0.603 nan 8.180 nan 0.000 0.420 202 E N 4.595 124.751 120.200 -0.073 0.000 2.194 202 E HA 0.314 4.664 4.350 0.000 0.000 0.284 202 E C 0.014 176.339 176.600 -0.459 0.000 1.035 202 E CA -0.384 55.881 56.400 -0.225 0.000 0.836 202 E CB 1.429 31.087 29.700 -0.070 0.000 1.070 202 E HN 0.355 nan 8.360 nan 0.000 0.401 203 V N 0.389 119.914 119.914 -0.649 0.000 2.994 203 V HA 0.445 4.565 4.120 0.000 0.000 0.318 203 V C -0.451 175.411 176.094 -0.387 0.000 1.085 203 V CA -1.098 60.770 62.300 -0.721 0.000 0.998 203 V CB 2.035 33.093 31.823 -1.275 0.000 1.063 203 V HN 0.464 nan 8.190 nan 0.000 0.447 204 Q N 1.970 121.679 119.800 -0.152 0.000 2.266 204 Q HA 0.548 4.888 4.340 0.000 0.000 0.261 204 Q C -2.677 173.259 176.000 -0.106 0.000 0.985 204 Q CA -2.090 53.658 55.803 -0.092 0.000 0.873 204 Q CB 2.100 30.826 28.738 -0.019 0.000 1.306 204 Q HN 0.661 nan 8.270 nan 0.000 0.447 205 P HA -0.068 nan 4.420 nan 0.000 0.272 205 P C -0.164 177.147 177.300 0.018 0.000 1.223 205 P CA 0.106 63.248 63.100 0.069 0.000 0.784 205 P CB 0.425 32.200 31.700 0.125 0.000 0.923 206 D N -0.425 119.997 120.400 0.036 0.000 2.735 206 D HA -0.141 4.499 4.640 0.000 0.000 0.235 206 D C -1.114 175.065 176.300 -0.202 0.000 1.175 206 D CA 1.189 55.186 54.000 -0.004 0.000 0.683 206 D CB -1.483 39.381 40.800 0.107 0.000 1.008 206 D HN 0.293 nan 8.370 nan 0.000 0.416 207 T N 1.048 115.348 114.554 -0.422 0.000 2.916 207 T HA 0.496 4.846 4.350 0.000 0.000 0.298 207 T C -0.267 174.150 174.700 -0.472 0.000 1.031 207 T CA -0.579 61.285 62.100 -0.393 0.000 0.993 207 T CB 1.777 70.437 68.868 -0.347 0.000 1.045 207 T HN -0.012 nan 8.240 nan 0.000 0.454 208 T N 3.528 117.923 114.554 -0.265 0.000 2.728 208 T HA 0.427 4.777 4.350 0.000 0.000 0.296 208 T C -0.876 173.805 174.700 -0.032 0.000 0.940 208 T CA -0.168 61.936 62.100 0.007 0.000 1.013 208 T CB -0.073 68.926 68.868 0.218 0.000 0.912 208 T HN 0.370 nan 8.240 nan 0.000 0.484 209 Y N 2.128 122.513 120.300 0.141 0.000 2.341 209 Y HA 0.485 5.035 4.550 0.000 0.000 0.337 209 Y C 0.078 176.025 175.900 0.079 0.000 1.014 209 Y CA -1.123 57.073 58.100 0.159 0.000 1.111 209 Y CB 1.228 39.856 38.460 0.280 0.000 1.194 209 Y HN 0.469 nan 8.280 nan 0.000 0.462 210 L N 5.313 126.576 121.223 0.067 0.000 2.283 210 L HA 0.338 4.678 4.340 0.000 0.000 0.287 210 L C -0.983 175.809 176.870 -0.130 0.000 1.073 210 L CA 0.053 54.785 54.840 -0.180 0.000 0.822 210 L CB 0.087 41.705 42.059 -0.735 0.000 1.186 210 L HN 0.590 nan 8.230 nan 0.000 0.436 211 L N 6.394 127.552 121.223 -0.108 0.000 2.295 211 L HA 0.500 4.840 4.340 0.000 0.000 0.281 211 L C -0.484 176.250 176.870 -0.228 0.000 1.018 211 L CA -0.678 54.045 54.840 -0.196 0.000 0.841 211 L CB 0.620 42.573 42.059 -0.177 0.000 1.218 211 L HN 0.664 nan 8.230 nan 0.000 0.424 212 R N 6.040 126.377 120.500 -0.271 0.000 2.205 212 R HA 0.439 4.779 4.340 0.000 0.000 0.342 212 R C -0.755 175.347 176.300 -0.330 0.000 1.058 212 R CA -0.243 55.697 56.100 -0.266 0.000 0.904 212 R CB 0.676 30.826 30.300 -0.250 0.000 1.089 212 R HN 0.535 nan 8.270 nan 0.000 0.471 213 I N 3.479 123.844 120.570 -0.341 0.000 2.304 213 I HA 0.247 4.417 4.170 0.000 0.000 0.291 213 I C -0.336 175.542 176.117 -0.397 0.000 1.018 213 I CA -0.873 60.147 61.300 -0.468 0.000 1.260 213 I CB 1.488 39.097 38.000 -0.651 0.000 1.390 213 I HN 0.209 nan 8.210 nan 0.000 0.475 214 V N 5.362 125.005 119.914 -0.450 0.000 2.487 214 V HA 0.299 4.419 4.120 0.000 0.000 0.298 214 V C -0.072 175.683 176.094 -0.565 0.000 1.028 214 V CA -0.773 61.222 62.300 -0.509 0.000 0.860 214 V CB 1.879 33.372 31.823 -0.549 0.000 0.991 214 V HN 0.660 nan 8.190 nan 0.000 0.427 215 N N 3.818 122.166 118.700 -0.586 0.000 2.521 215 N HA 0.125 4.865 4.740 0.000 0.000 0.236 215 N C 0.390 175.434 175.510 -0.776 0.000 1.067 215 N CA -0.267 52.444 53.050 -0.564 0.000 0.939 215 N CB 1.496 39.714 38.487 -0.448 0.000 1.201 215 N HN 0.630 nan 8.380 nan 0.000 0.511 216 V N 1.470 120.926 119.914 -0.763 0.000 3.337 216 V HA 0.490 4.610 4.120 0.000 0.000 0.343 216 V C 1.129 177.050 176.094 -0.288 0.000 1.302 216 V CA -0.445 61.290 62.300 -0.942 0.000 1.268 216 V CB -0.578 30.809 31.823 -0.727 0.000 1.185 216 V HN 0.363 nan 8.190 nan 0.000 0.447 217 G N 0.160 108.832 108.800 -0.213 0.000 2.616 217 G HA2 0.470 4.430 3.960 0.000 0.000 0.268 217 G HA3 0.470 4.430 3.960 0.000 0.000 0.268 217 G C 0.845 175.840 174.900 0.158 0.000 1.213 217 G CA -0.040 45.055 45.100 -0.010 0.000 0.926 217 G HN 0.560 nan 8.290 nan 0.000 0.523 218 G N -1.812 107.028 108.800 0.067 0.000 2.939 218 G HA2 0.276 4.236 3.960 0.000 0.000 0.216 218 G HA3 0.276 4.236 3.960 0.000 0.000 0.216 218 G C 0.558 175.465 174.900 0.011 0.000 1.125 218 G CA 0.546 45.577 45.100 -0.115 0.000 0.766 218 G HN 0.429 nan 8.290 nan 0.000 0.541 219 F N -0.218 119.702 119.950 -0.049 0.000 1.881 219 F HA 0.475 5.002 4.527 0.000 0.000 0.233 219 F C 0.098 175.883 175.800 -0.024 0.000 1.186 219 F CA -0.762 57.243 58.000 0.009 0.000 1.298 219 F CB 0.218 39.363 39.000 0.243 0.000 1.756 219 F HN -0.127 nan 8.300 nan 0.000 0.431 220 V N 2.473 122.267 119.914 -0.199 0.000 2.546 220 V HA 0.451 4.571 4.120 0.000 0.000 0.284 220 V C 0.131 175.989 176.094 -0.394 0.000 1.050 220 V CA -0.245 61.739 62.300 -0.527 0.000 0.981 220 V CB 1.237 32.696 31.823 -0.607 0.000 0.990 220 V HN 0.445 nan 8.190 nan 0.000 0.474 221 S N 5.420 120.869 115.700 -0.417 0.000 2.579 221 S HA 0.364 4.834 4.470 0.000 0.000 0.275 221 S C -0.400 173.810 174.600 -0.651 0.000 1.345 221 S CA -0.355 57.478 58.200 -0.612 0.000 1.031 221 S CB 0.637 63.330 63.200 -0.846 0.000 0.892 221 S HN 0.810 nan 8.310 nan 0.000 0.529 222 Q N 0.456 119.811 119.800 -0.743 0.000 2.372 222 Q HA 0.405 4.745 4.340 0.000 0.000 0.273 222 Q C -1.617 174.051 176.000 -0.553 0.000 1.078 222 Q CA -0.614 54.869 55.803 -0.533 0.000 0.806 222 Q CB 1.703 30.224 28.738 -0.361 0.000 1.332 222 Q HN 0.620 nan 8.270 nan 0.000 0.435 223 Y N 0.967 121.214 120.300 -0.088 0.000 2.304 223 Y HA 0.460 5.010 4.550 0.000 0.000 0.328 223 Y C -0.523 175.512 175.900 0.224 0.000 1.123 223 Y CA -0.393 57.771 58.100 0.107 0.000 1.218 223 Y CB 0.773 39.393 38.460 0.266 0.000 1.207 223 Y HN 0.504 nan 8.280 nan 0.000 0.495 224 F N 4.411 124.513 119.950 0.254 0.000 2.547 224 F HA 0.675 5.202 4.527 0.000 0.000 0.316 224 F C -1.620 174.384 175.800 0.339 0.000 1.121 224 F CA -1.264 56.805 58.000 0.115 0.000 0.911 224 F CB 1.155 40.105 39.000 -0.085 0.000 1.179 224 F HN 0.665 nan 8.300 nan 0.000 0.443 225 W N 5.888 126.803 121.300 -0.642 0.000 3.146 225 W HA 0.744 5.404 4.660 0.000 0.000 0.319 225 W C -2.584 173.653 176.519 -0.470 0.000 1.258 225 W CA -1.380 55.747 57.345 -0.363 0.000 1.189 225 W CB 0.636 30.037 29.460 -0.098 0.000 1.412 225 W HN 0.449 nan 8.180 nan 0.000 0.567 226 I N 2.631 123.199 120.570 -0.003 0.000 2.389 226 I HA 0.144 4.314 4.170 0.000 0.000 0.288 226 I C 0.308 176.558 176.117 0.222 0.000 0.999 226 I CA -1.003 60.288 61.300 -0.016 0.000 1.129 226 I CB 1.676 39.703 38.000 0.045 0.000 1.288 226 I HN 0.637 nan 8.210 nan 0.000 0.444 227 E N 6.891 127.225 120.200 0.224 0.000 2.652 227 E HA -0.167 4.183 4.350 0.000 0.000 0.255 227 E C -0.056 176.762 176.600 0.363 0.000 0.952 227 E CA 0.505 57.110 56.400 0.342 0.000 0.947 227 E CB 0.266 30.168 29.700 0.336 0.000 0.912 227 E HN 0.618 nan 8.360 nan 0.000 0.489 228 D N 2.339 122.883 120.400 0.241 0.000 2.983 228 D HA -0.218 4.422 4.640 0.000 0.000 0.225 228 D C -1.154 175.028 176.300 -0.197 0.000 1.174 228 D CA 1.204 55.234 54.000 0.050 0.000 0.831 228 D CB -1.024 39.826 40.800 0.084 0.000 1.104 228 D HN 0.507 nan 8.370 nan 0.000 0.421 229 H N 0.033 119.086 119.070 -0.027 0.000 2.744 229 H HA 0.374 4.930 4.556 0.000 0.000 0.339 229 H C -0.042 175.327 175.328 0.068 0.000 1.004 229 H CA -0.520 55.520 56.048 -0.014 0.000 1.257 229 H CB 1.170 30.916 29.762 -0.027 0.000 1.552 229 H HN -0.071 nan 8.280 nan 0.000 0.522 230 E N 2.620 122.907 120.200 0.144 0.000 2.374 230 E HA 0.336 4.686 4.350 0.000 0.000 0.260 230 E C -0.377 176.330 176.600 0.178 0.000 1.101 230 E CA -0.319 56.164 56.400 0.138 0.000 0.907 230 E CB 1.090 30.842 29.700 0.087 0.000 1.014 230 E HN 0.426 nan 8.360 nan 0.000 0.427 231 M N 1.206 120.904 119.600 0.164 0.000 2.253 231 M HA 0.241 4.721 4.480 0.000 0.000 0.314 231 M C -0.998 175.379 176.300 0.129 0.000 1.019 231 M CA -0.497 54.904 55.300 0.169 0.000 0.932 231 M CB 2.226 34.946 32.600 0.200 0.000 1.606 231 M HN 0.307 nan 8.290 nan 0.000 0.430 232 T N 2.907 117.524 114.554 0.106 0.000 2.781 232 T HA 0.358 4.708 4.350 0.000 0.000 0.305 232 T C -0.009 174.722 174.700 0.052 0.000 1.001 232 T CA -0.487 61.647 62.100 0.057 0.000 0.950 232 T CB 0.469 69.343 68.868 0.010 0.000 0.955 232 T HN 0.364 nan 8.240 nan 0.000 0.471 233 V N 5.017 124.979 119.914 0.080 0.000 2.521 233 V HA 0.105 4.225 4.120 0.000 0.000 0.286 233 V C 1.341 177.466 176.094 0.051 0.000 1.034 233 V CA 0.171 62.538 62.300 0.111 0.000 1.045 233 V CB 0.805 32.742 31.823 0.191 0.000 0.974 233 V HN 0.866 nan 8.190 nan 0.000 0.480 234 V N 0.998 120.955 119.914 0.072 0.000 3.451 234 V HA 0.525 4.645 4.120 0.000 0.000 0.288 234 V C 0.281 176.495 176.094 0.200 0.000 1.502 234 V CA 0.206 62.572 62.300 0.110 0.000 1.026 234 V CB 0.361 32.273 31.823 0.148 0.000 0.840 234 V HN 0.823 nan 8.190 nan 0.000 0.437 235 E N 1.148 121.415 120.200 0.111 0.000 2.381 235 E HA 0.527 4.878 4.350 0.000 0.000 0.286 235 E C -1.866 174.672 176.600 -0.104 0.000 0.960 235 E CA -0.661 55.768 56.400 0.048 0.000 0.793 235 E CB 2.989 32.738 29.700 0.082 0.000 1.225 235 E HN 0.551 nan 8.360 nan 0.000 0.420 236 I N 0.195 120.663 120.570 -0.170 0.000 2.545 236 I HA 0.497 4.667 4.170 0.000 0.000 0.292 236 I C -0.662 175.299 176.117 -0.260 0.000 1.040 236 I CA -0.808 60.287 61.300 -0.341 0.000 1.068 236 I CB 1.815 39.541 38.000 -0.456 0.000 1.251 236 I HN 0.326 nan 8.210 nan 0.000 0.424 237 D N 4.842 125.065 120.400 -0.294 0.000 2.720 237 D HA -0.185 4.455 4.640 0.000 0.000 0.229 237 D C 1.306 177.438 176.300 -0.280 0.000 1.198 237 D CA 1.989 55.837 54.000 -0.254 0.000 0.639 237 D CB -1.032 39.682 40.800 -0.143 0.000 1.003 237 D HN 1.373 nan 8.370 nan 0.000 0.411 238 G N -1.191 107.371 108.800 -0.397 0.000 2.205 238 G HA2 -0.310 3.650 3.960 0.000 0.000 0.261 238 G HA3 -0.310 3.650 3.960 0.000 0.000 0.261 238 G C 0.265 175.137 174.900 -0.046 0.000 0.980 238 G CA 0.239 45.145 45.100 -0.324 0.000 0.632 238 G HN 0.485 nan 8.290 nan 0.000 0.533 239 I N 2.726 123.270 120.570 -0.042 0.000 2.306 239 I HA 0.291 4.461 4.170 0.000 0.000 0.288 239 I C 0.843 176.988 176.117 0.046 0.000 1.036 239 I CA -0.522 60.794 61.300 0.027 0.000 1.221 239 I CB 0.253 38.258 38.000 0.009 0.000 1.385 239 I HN -0.028 nan 8.210 nan 0.000 0.472 240 T N 4.877 119.490 114.554 0.097 0.000 2.928 240 T HA 0.117 4.468 4.350 0.000 0.000 0.305 240 T C 0.631 175.414 174.700 0.138 0.000 1.035 240 T CA 0.466 62.636 62.100 0.117 0.000 1.145 240 T CB 0.673 69.553 68.868 0.020 0.000 0.963 240 T HN 0.704 nan 8.240 nan 0.000 0.545 241 T N 2.166 116.818 114.554 0.163 0.000 2.940 241 T HA 0.305 4.655 4.350 0.000 0.000 0.288 241 T C -0.484 174.384 174.700 0.279 0.000 1.045 241 T CA -1.028 61.178 62.100 0.177 0.000 1.018 241 T CB 0.936 69.868 68.868 0.107 0.000 1.151 241 T HN 0.472 nan 8.240 nan 0.000 0.529 242 E N 2.248 122.592 120.200 0.240 0.000 2.373 242 E HA 0.139 4.489 4.350 0.000 0.000 0.267 242 E C -0.044 176.629 176.600 0.121 0.000 1.032 242 E CA -0.177 56.373 56.400 0.250 0.000 0.889 242 E CB 0.620 30.411 29.700 0.152 0.000 0.984 242 E HN 0.498 nan 8.360 nan 0.000 0.425 243 K N 2.613 123.030 120.400 0.028 0.000 2.473 243 K HA -0.054 4.266 4.320 0.000 0.000 0.277 243 K C 0.258 176.860 176.600 0.003 0.000 1.052 243 K CA 0.462 56.694 56.287 -0.092 0.000 1.114 243 K CB 0.116 32.514 32.500 -0.169 0.000 0.869 243 K HN 0.266 nan 8.250 nan 0.000 0.481 244 N N 2.963 121.679 118.700 0.027 0.000 2.448 244 N HA 0.149 4.889 4.740 0.000 0.000 0.279 244 N C -1.296 174.255 175.510 0.068 0.000 1.025 244 N CA -0.437 52.650 53.050 0.061 0.000 0.898 244 N CB 1.524 40.072 38.487 0.100 0.000 1.303 244 N HN 0.091 nan 8.380 nan 0.000 0.495 245 V N 3.119 123.066 119.914 0.055 0.000 2.488 245 V HA 0.421 4.541 4.120 0.000 0.000 0.277 245 V C 0.558 176.698 176.094 0.076 0.000 1.046 245 V CA -0.010 62.327 62.300 0.062 0.000 0.986 245 V CB 0.878 32.726 31.823 0.042 0.000 0.989 245 V HN 0.806 nan 8.190 nan 0.000 0.475 246 T N 0.293 114.906 114.554 0.099 0.000 2.841 246 T HA 0.453 4.803 4.350 0.000 0.000 0.296 246 T C -0.056 174.713 174.700 0.116 0.000 1.166 246 T CA -0.753 61.410 62.100 0.105 0.000 1.007 246 T CB 2.201 71.152 68.868 0.137 0.000 1.253 246 T HN 0.416 nan 8.240 nan 0.000 0.511 247 D N -0.249 120.212 120.400 0.103 0.000 2.392 247 D HA 0.248 4.888 4.640 0.000 0.000 0.206 247 D C 0.210 176.606 176.300 0.159 0.000 1.046 247 D CA 0.430 54.495 54.000 0.108 0.000 0.865 247 D CB 0.587 41.410 40.800 0.038 0.000 0.969 247 D HN 0.469 nan 8.370 nan 0.000 0.509 248 M N 0.758 120.466 119.600 0.180 0.000 2.413 248 M HA 0.321 4.801 4.480 0.000 0.000 0.287 248 M C -2.117 174.361 176.300 0.297 0.000 1.186 248 M CA -0.498 54.958 55.300 0.259 0.000 0.927 248 M CB 2.357 35.059 32.600 0.169 0.000 1.715 248 M HN -0.288 nan 8.290 nan 0.000 0.478 249 L N 3.283 124.680 121.223 0.290 0.000 2.342 249 L HA 0.533 4.873 4.340 0.000 0.000 0.271 249 L C -1.524 175.395 176.870 0.082 0.000 1.008 249 L CA -0.923 53.977 54.840 0.100 0.000 0.818 249 L CB 2.045 44.009 42.059 -0.158 0.000 1.296 249 L HN 0.667 nan 8.230 nan 0.000 0.427 250 Y N 3.660 123.834 120.300 -0.210 0.000 2.356 250 Y HA 0.582 5.133 4.550 0.000 0.000 0.334 250 Y C -0.701 174.961 175.900 -0.397 0.000 0.958 250 Y CA -0.582 57.215 58.100 -0.504 0.000 1.196 250 Y CB 0.856 38.718 38.460 -0.997 0.000 1.137 250 Y HN 0.332 nan 8.280 nan 0.000 0.485 251 I N 6.963 127.083 120.570 -0.749 0.000 2.382 251 I HA 0.255 4.425 4.170 0.000 0.000 0.285 251 I C 0.270 176.022 176.117 -0.607 0.000 1.007 251 I CA -0.790 60.213 61.300 -0.495 0.000 1.142 251 I CB 1.628 39.383 38.000 -0.408 0.000 1.289 251 I HN 0.636 nan 8.210 nan 0.000 0.453 252 T N 3.044 117.369 114.554 -0.382 0.000 2.788 252 T HA 0.419 4.769 4.350 0.000 0.000 0.280 252 T C 0.500 175.051 174.700 -0.248 0.000 0.984 252 T CA -0.760 61.151 62.100 -0.315 0.000 0.972 252 T CB 1.485 70.320 68.868 -0.055 0.000 1.039 252 T HN 0.382 nan 8.240 nan 0.000 0.530 253 V N -0.498 119.295 119.914 -0.201 0.000 2.872 253 V HA 0.482 4.602 4.120 0.000 0.000 0.307 253 V C 1.527 177.435 176.094 -0.310 0.000 1.072 253 V CA 0.024 62.185 62.300 -0.232 0.000 1.148 253 V CB -0.683 31.095 31.823 -0.076 0.000 0.954 253 V HN 2.254 nan 8.190 nan 0.000 0.490 254 A N 1.332 123.838 122.820 -0.523 0.000 3.829 254 A HA -0.214 4.106 4.320 0.000 0.000 0.264 254 A C 0.764 178.056 177.584 -0.486 0.000 0.998 254 A CA 1.493 53.175 52.037 -0.592 0.000 1.270 254 A CB -2.474 16.001 19.000 -0.875 0.000 1.063 254 A HN 1.678 nan 8.150 nan 0.000 0.879 255 Q N -0.658 118.949 119.800 -0.321 0.000 2.260 255 Q HA 0.745 5.085 4.340 0.000 0.000 0.238 255 Q C -0.368 175.482 176.000 -0.252 0.000 0.948 255 Q CA -0.710 54.975 55.803 -0.198 0.000 0.895 255 Q CB 0.798 29.529 28.738 -0.013 0.000 1.218 255 Q HN 0.449 nan 8.270 nan 0.000 0.470 256 R N 1.046 121.407 120.500 -0.232 0.000 2.513 256 R HA 0.400 4.740 4.340 0.000 0.000 0.301 256 R C -1.645 174.520 176.300 -0.226 0.000 0.968 256 R CA -0.295 55.660 56.100 -0.241 0.000 0.872 256 R CB 1.367 31.487 30.300 -0.299 0.000 1.177 256 R HN 0.598 nan 8.270 nan 0.000 0.444 257 Y N 0.890 121.061 120.300 -0.217 0.000 2.328 257 Y HA 0.390 4.940 4.550 0.000 0.000 0.337 257 Y C 0.128 175.924 175.900 -0.173 0.000 0.966 257 Y CA -0.606 57.407 58.100 -0.146 0.000 1.136 257 Y CB 2.337 40.730 38.460 -0.112 0.000 1.170 257 Y HN 0.429 nan 8.280 nan 0.000 0.470 258 T N 3.891 118.428 114.554 -0.030 0.000 2.795 258 T HA 0.585 4.935 4.350 0.000 0.000 0.282 258 T C -0.776 173.936 174.700 0.021 0.000 0.980 258 T CA -0.585 61.482 62.100 -0.055 0.000 1.012 258 T CB 1.180 69.994 68.868 -0.091 0.000 0.936 258 T HN 0.302 nan 8.240 nan 0.000 0.457 259 V N 4.141 124.055 119.914 0.001 0.000 2.841 259 V HA 0.460 4.580 4.120 0.000 0.000 0.310 259 V C -0.610 175.519 176.094 0.058 0.000 1.090 259 V CA -0.939 61.393 62.300 0.053 0.000 0.930 259 V CB 2.165 34.030 31.823 0.071 0.000 1.014 259 V HN 0.747 nan 8.190 nan 0.000 0.425 260 L N 4.780 126.055 121.223 0.087 0.000 2.292 260 L HA 0.629 4.969 4.340 0.000 0.000 0.284 260 L C -0.708 176.269 176.870 0.179 0.000 1.065 260 L CA -0.502 54.415 54.840 0.128 0.000 0.806 260 L CB 1.633 43.758 42.059 0.111 0.000 1.175 260 L HN 0.328 nan 8.230 nan 0.000 0.431 261 V N 2.311 122.375 119.914 0.249 0.000 2.525 261 V HA 0.247 4.367 4.120 0.000 0.000 0.299 261 V C -0.863 175.438 176.094 0.344 0.000 1.034 261 V CA -0.637 61.844 62.300 0.302 0.000 0.863 261 V CB 1.813 33.839 31.823 0.338 0.000 0.999 261 V HN 0.648 nan 8.190 nan 0.000 0.423 262 H N 2.893 122.102 119.070 0.232 0.000 2.504 262 H HA 0.582 5.138 4.556 0.000 0.000 0.322 262 H C 0.447 175.920 175.328 0.241 0.000 1.055 262 H CA -0.119 56.053 56.048 0.206 0.000 1.231 262 H CB 1.324 31.165 29.762 0.132 0.000 1.417 262 H HN 0.797 nan 8.280 nan 0.000 0.472 263 T N 2.258 116.819 114.554 0.011 0.000 2.899 263 T HA 0.234 4.584 4.350 0.000 0.000 0.295 263 T C 0.169 175.029 174.700 0.267 0.000 1.033 263 T CA -1.054 61.164 62.100 0.197 0.000 1.084 263 T CB 0.967 69.846 68.868 0.019 0.000 0.979 263 T HN 0.639 nan 8.240 nan 0.000 0.532 264 K N 1.931 122.562 120.400 0.384 0.000 2.117 264 K HA 0.288 4.608 4.320 0.000 0.000 0.240 264 K C 0.532 177.282 176.600 0.250 0.000 1.031 264 K CA -0.967 55.454 56.287 0.224 0.000 0.909 264 K CB 0.284 32.799 32.500 0.024 0.000 1.097 264 K HN 0.364 nan 8.250 nan 0.000 0.492 265 N N 0.649 119.441 118.700 0.154 0.000 2.409 265 N HA -0.040 4.700 4.740 0.000 0.000 0.179 265 N C -0.602 174.984 175.510 0.125 0.000 1.032 265 N CA 0.844 53.974 53.050 0.133 0.000 0.898 265 N CB -0.016 38.526 38.487 0.092 0.000 0.971 265 N HN 0.471 nan 8.380 nan 0.000 0.441 266 D N -0.272 120.188 120.400 0.100 0.000 2.277 266 D HA 0.137 4.777 4.640 0.000 0.000 0.249 266 D C 0.265 176.629 176.300 0.107 0.000 1.134 266 D CA 0.208 54.249 54.000 0.067 0.000 0.863 266 D CB 1.278 42.086 40.800 0.013 0.000 1.143 266 D HN -0.082 nan 8.370 nan 0.000 0.458 267 T N 0.730 115.360 114.554 0.127 0.000 3.278 267 T HA -0.057 4.293 4.350 0.000 0.000 0.251 267 T C 1.300 176.045 174.700 0.075 0.000 1.039 267 T CA -0.169 62.036 62.100 0.174 0.000 0.935 267 T CB 0.142 69.089 68.868 0.132 0.000 1.034 267 T HN 0.427 nan 8.240 nan 0.000 0.575 268 D N 0.636 121.037 120.400 0.003 0.000 2.216 268 D HA -0.000 4.640 4.640 0.000 0.000 0.208 268 D C 0.755 176.996 176.300 -0.099 0.000 0.960 268 D CA 0.677 54.654 54.000 -0.039 0.000 0.861 268 D CB 0.404 41.180 40.800 -0.040 0.000 0.985 268 D HN 0.097 nan 8.370 nan 0.000 0.493 269 K N 0.560 120.846 120.400 -0.190 0.000 2.328 269 K HA 0.344 4.664 4.320 0.000 0.000 0.246 269 K C -0.854 175.476 176.600 -0.450 0.000 0.955 269 K CA -0.706 55.368 56.287 -0.355 0.000 0.817 269 K CB 1.877 34.075 32.500 -0.504 0.000 1.208 269 K HN 0.007 nan 8.250 nan 0.000 0.432 270 N N 1.170 119.611 118.700 -0.431 0.000 2.466 270 N HA 0.482 5.222 4.740 0.000 0.000 0.294 270 N C -0.906 174.320 175.510 -0.473 0.000 1.129 270 N CA -0.187 52.714 53.050 -0.248 0.000 0.931 270 N CB 0.769 39.204 38.487 -0.086 0.000 1.193 270 N HN 0.265 nan 8.380 nan 0.000 0.500 271 F N 0.013 120.009 119.950 0.076 0.000 2.563 271 F HA 0.580 5.107 4.527 0.000 0.000 0.316 271 F C 0.389 176.223 175.800 0.055 0.000 1.076 271 F CA -1.164 56.878 58.000 0.071 0.000 0.921 271 F CB 1.423 40.496 39.000 0.121 0.000 1.209 271 F HN 0.348 nan 8.300 nan 0.000 0.462 272 A N 3.326 126.267 122.820 0.202 0.000 2.362 272 A HA 0.628 4.948 4.320 0.000 0.000 0.276 272 A C -0.472 177.065 177.584 -0.079 0.000 1.153 272 A CA -0.320 51.744 52.037 0.045 0.000 0.813 272 A CB -0.185 18.801 19.000 -0.024 0.000 1.081 272 A HN 0.705 nan 8.150 nan 0.000 0.507 273 I N 2.803 123.273 120.570 -0.167 0.000 2.325 273 I HA 0.270 4.440 4.170 0.000 0.000 0.291 273 I C -0.033 175.745 176.117 -0.565 0.000 1.019 273 I CA 0.021 61.115 61.300 -0.343 0.000 1.302 273 I CB 1.287 39.175 38.000 -0.187 0.000 1.401 273 I HN 0.630 nan 8.210 nan 0.000 0.485 274 M N 7.174 126.206 119.600 -0.947 0.000 2.311 274 M HA 0.368 4.848 4.480 0.000 0.000 0.325 274 M C -0.935 174.707 176.300 -1.097 0.000 1.061 274 M CA -0.289 54.333 55.300 -1.131 0.000 0.957 274 M CB 1.669 33.132 32.600 -1.896 0.000 1.646 274 M HN 0.520 nan 8.290 nan 0.000 0.434 275 Q N 2.940 122.355 119.800 -0.642 0.000 2.375 275 Q HA 0.703 5.043 4.340 0.000 0.000 0.271 275 Q C -1.435 174.447 176.000 -0.196 0.000 1.074 275 Q CA -1.102 54.503 55.803 -0.331 0.000 0.808 275 Q CB 2.836 31.475 28.738 -0.165 0.000 1.327 275 Q HN 0.597 nan 8.270 nan 0.000 0.441 276 K N 2.332 122.734 120.400 0.004 0.000 2.468 276 K HA 0.390 4.711 4.320 0.000 0.000 0.252 276 K C -1.431 175.286 176.600 0.195 0.000 0.932 276 K CA -0.765 55.631 56.287 0.181 0.000 0.794 276 K CB 1.684 34.424 32.500 0.401 0.000 1.241 276 K HN 0.572 nan 8.250 nan 0.000 0.428 277 F N 1.694 121.691 119.950 0.078 0.000 2.553 277 F HA -0.047 4.480 4.527 0.000 0.000 0.356 277 F C 1.141 177.015 175.800 0.123 0.000 1.142 277 F CA 0.570 58.576 58.000 0.009 0.000 1.322 277 F CB 0.501 39.484 39.000 -0.029 0.000 1.126 277 F HN 0.487 nan 8.300 nan 0.000 0.599 278 D N 2.906 123.412 120.400 0.177 0.000 2.483 278 D HA 0.045 4.685 4.640 0.000 0.000 0.220 278 D C 0.565 176.963 176.300 0.162 0.000 1.173 278 D CA -0.409 53.711 54.000 0.199 0.000 0.964 278 D CB 0.000 40.781 40.800 -0.032 0.000 1.046 278 D HN 0.444 nan 8.370 nan 0.000 0.517 279 D N 0.783 121.294 120.400 0.185 0.000 2.350 279 D HA -0.136 4.504 4.640 0.000 0.000 0.216 279 D C 1.492 177.822 176.300 0.050 0.000 0.968 279 D CA 0.452 54.489 54.000 0.063 0.000 0.894 279 D CB -0.394 40.410 40.800 0.007 0.000 0.909 279 D HN 0.222 nan 8.370 nan 0.000 0.520 280 T N 0.522 115.128 114.554 0.087 0.000 2.721 280 T HA -0.171 4.179 4.350 0.000 0.000 0.268 280 T C 1.687 176.435 174.700 0.080 0.000 1.038 280 T CA 1.599 63.749 62.100 0.084 0.000 1.145 280 T CB -0.256 68.674 68.868 0.102 0.000 0.858 280 T HN 0.296 nan 8.240 nan 0.000 0.459 281 M N 0.159 119.791 119.600 0.052 0.000 2.558 281 M HA 0.209 4.689 4.480 0.000 0.000 0.255 281 M C 0.111 176.506 176.300 0.159 0.000 1.113 281 M CA 0.409 55.757 55.300 0.080 0.000 1.097 281 M CB -0.139 32.432 32.600 -0.048 0.000 1.426 281 M HN 0.111 nan 8.290 nan 0.000 0.488 282 L N 0.870 122.135 121.223 0.070 0.000 2.331 282 L HA 0.077 4.417 4.340 0.000 0.000 0.278 282 L C 1.032 177.964 176.870 0.103 0.000 1.106 282 L CA -0.343 54.556 54.840 0.099 0.000 0.824 282 L CB 0.629 42.670 42.059 -0.030 0.000 1.142 282 L HN 0.079 nan 8.230 nan 0.000 0.443 283 D N 2.085 122.560 120.400 0.124 0.000 2.092 283 D HA -0.128 4.513 4.640 0.000 0.000 0.193 283 D C 0.323 176.650 176.300 0.046 0.000 0.994 283 D CA 1.331 55.383 54.000 0.086 0.000 0.828 283 D CB 0.414 41.259 40.800 0.074 0.000 0.963 283 D HN 0.277 nan 8.370 nan 0.000 0.450 284 V N -2.072 117.853 119.914 0.019 0.000 3.102 284 V HA 0.515 4.635 4.120 0.000 0.000 0.312 284 V C -0.405 175.665 176.094 -0.041 0.000 1.135 284 V CA -1.130 61.166 62.300 -0.006 0.000 1.022 284 V CB 2.037 33.856 31.823 -0.008 0.000 1.056 284 V HN -0.009 nan 8.190 nan 0.000 0.436 285 I N 3.880 124.417 120.570 -0.055 0.000 2.330 285 I HA 0.430 4.600 4.170 0.000 0.000 0.286 285 I C -2.055 174.009 176.117 -0.089 0.000 1.025 285 I CA -1.647 59.593 61.300 -0.100 0.000 1.197 285 I CB 1.564 39.505 38.000 -0.098 0.000 1.358 285 I HN 0.595 nan 8.210 nan 0.000 0.467 286 P HA 0.039 nan 4.420 nan 0.000 0.266 286 P C 0.765 178.017 177.300 -0.080 0.000 1.195 286 P CA -0.111 62.939 63.100 -0.083 0.000 0.768 286 P CB 0.827 32.472 31.700 -0.092 0.000 0.838 287 S N 0.545 116.213 115.700 -0.054 0.000 2.474 287 S HA -0.142 4.328 4.470 0.000 0.000 0.235 287 S C 1.091 175.667 174.600 -0.040 0.000 0.997 287 S CA 0.968 59.142 58.200 -0.042 0.000 0.949 287 S CB -0.529 62.654 63.200 -0.027 0.000 0.766 287 S HN 0.634 nan 8.310 nan 0.000 0.517 288 D N 0.529 120.901 120.400 -0.045 0.000 2.379 288 D HA 0.088 4.728 4.640 0.000 0.000 0.208 288 D C 0.574 176.845 176.300 -0.048 0.000 1.065 288 D CA -0.444 53.535 54.000 -0.035 0.000 0.848 288 D CB -0.479 40.306 40.800 -0.025 0.000 0.949 288 D HN 0.412 nan 8.370 nan 0.000 0.509 289 L N 2.461 123.632 121.223 -0.087 0.000 2.562 289 L HA 0.081 4.421 4.340 0.000 0.000 0.271 289 L C 0.010 176.826 176.870 -0.090 0.000 1.167 289 L CA 0.136 54.902 54.840 -0.124 0.000 0.917 289 L CB 0.442 42.356 42.059 -0.242 0.000 1.187 289 L HN -0.126 nan 8.230 nan 0.000 0.482 290 Q N 5.900 125.685 119.800 -0.025 0.000 2.301 290 Q HA 0.042 4.382 4.340 0.000 0.000 0.262 290 Q C 0.980 177.028 176.000 0.081 0.000 1.168 290 Q CA 0.370 56.190 55.803 0.029 0.000 0.908 290 Q CB 0.733 29.502 28.738 0.052 0.000 1.348 290 Q HN 0.817 nan 8.270 nan 0.000 0.441 291 L N 1.966 123.219 121.223 0.051 0.000 2.156 291 L HA -0.175 4.165 4.340 0.000 0.000 0.208 291 L C 0.253 177.305 176.870 0.304 0.000 1.095 291 L CA 0.922 55.844 54.840 0.138 0.000 0.770 291 L CB -0.037 42.047 42.059 0.041 0.000 0.914 291 L HN 0.535 nan 8.230 nan 0.000 0.439 292 N N -0.349 118.450 118.700 0.166 0.000 2.269 292 N HA 0.606 5.346 4.740 0.000 0.000 0.304 292 N C -0.930 174.587 175.510 0.011 0.000 1.072 292 N CA -0.528 52.582 53.050 0.101 0.000 0.802 292 N CB 1.847 40.403 38.487 0.114 0.000 1.348 292 N HN -0.038 nan 8.380 nan 0.000 0.484 293 A N 0.840 123.614 122.820 -0.076 0.000 2.355 293 A HA 0.762 5.082 4.320 0.000 0.000 0.317 293 A C -0.761 176.687 177.584 -0.226 0.000 1.094 293 A CA -0.633 51.331 52.037 -0.122 0.000 0.764 293 A CB 0.972 19.903 19.000 -0.116 0.000 1.230 293 A HN 0.623 nan 8.150 nan 0.000 0.448 294 T N 1.963 116.383 114.554 -0.224 0.000 2.770 294 T HA 0.600 4.950 4.350 0.000 0.000 0.283 294 T C 0.129 174.547 174.700 -0.470 0.000 0.988 294 T CA -0.183 61.742 62.100 -0.292 0.000 0.957 294 T CB 1.224 69.990 68.868 -0.170 0.000 0.930 294 T HN 0.574 nan 8.240 nan 0.000 0.443 295 S N 1.408 116.788 115.700 -0.532 0.000 2.759 295 S HA 0.698 5.168 4.470 0.000 0.000 0.310 295 S C -1.367 172.856 174.600 -0.630 0.000 1.123 295 S CA -0.789 56.946 58.200 -0.776 0.000 0.959 295 S CB 0.780 63.727 63.200 -0.421 0.000 1.172 295 S HN 0.646 nan 8.310 nan 0.000 0.539 296 Y N 0.852 121.148 120.300 -0.007 0.000 2.326 296 Y HA 0.480 5.030 4.550 0.000 0.000 0.331 296 Y C -0.048 175.891 175.900 0.064 0.000 0.962 296 Y CA -0.608 57.501 58.100 0.015 0.000 1.167 296 Y CB 0.947 39.406 38.460 -0.002 0.000 1.148 296 Y HN 0.403 nan 8.280 nan 0.000 0.463 297 M N 5.007 124.731 119.600 0.206 0.000 2.135 297 M HA 0.387 4.867 4.480 0.000 0.000 0.345 297 M C -1.566 174.812 176.300 0.130 0.000 1.340 297 M CA -0.482 54.872 55.300 0.090 0.000 1.162 297 M CB 0.131 32.757 32.600 0.043 0.000 1.570 297 M HN 0.499 nan 8.290 nan 0.000 0.454 298 V N 7.099 127.010 119.914 -0.006 0.000 2.311 298 V HA 0.123 4.243 4.120 0.000 0.000 0.275 298 V C -0.262 175.821 176.094 -0.017 0.000 1.022 298 V CA -0.251 62.073 62.300 0.040 0.000 0.830 298 V CB 0.696 32.528 31.823 0.015 0.000 1.012 298 V HN 0.824 nan 8.190 nan 0.000 0.452 299 Y N 2.097 122.371 120.300 -0.043 0.000 2.397 299 Y HA 0.200 4.750 4.550 0.000 0.000 0.292 299 Y C 1.391 177.274 175.900 -0.029 0.000 1.115 299 Y CA 0.363 58.447 58.100 -0.027 0.000 1.208 299 Y CB 0.363 38.856 38.460 0.056 0.000 1.046 299 Y HN 0.571 nan 8.280 nan 0.000 0.552 300 N N 0.331 119.108 118.700 0.128 0.000 2.491 300 N HA 0.110 4.850 4.740 0.000 0.000 0.274 300 N C 0.135 175.650 175.510 0.007 0.000 1.023 300 N CA -0.130 52.950 53.050 0.051 0.000 0.902 300 N CB 1.060 39.565 38.487 0.030 0.000 1.267 300 N HN 0.016 nan 8.380 nan 0.000 0.503 301 K N 0.987 121.386 120.400 -0.002 0.000 2.360 301 K HA -0.056 4.264 4.320 0.000 0.000 0.201 301 K C 0.731 177.313 176.600 -0.030 0.000 1.046 301 K CA 0.933 57.209 56.287 -0.017 0.000 0.945 301 K CB 0.300 32.793 32.500 -0.012 0.000 0.750 301 K HN 0.426 nan 8.250 nan 0.000 0.464 302 T N -0.308 114.229 114.554 -0.028 0.000 2.985 302 T HA 0.243 4.593 4.350 0.000 0.000 0.254 302 T C 0.418 175.090 174.700 -0.048 0.000 1.021 302 T CA -0.044 62.035 62.100 -0.035 0.000 0.957 302 T CB 0.232 69.085 68.868 -0.024 0.000 1.047 302 T HN 0.204 nan 8.240 nan 0.000 0.511 303 A N 1.229 124.018 122.820 -0.052 0.000 2.292 303 A HA 0.789 5.109 4.320 0.000 0.000 0.265 303 A C 0.626 178.154 177.584 -0.094 0.000 1.133 303 A CA -0.114 51.881 52.037 -0.069 0.000 0.807 303 A CB -0.198 18.758 19.000 -0.073 0.000 1.102 303 A HN 0.535 nan 8.150 nan 0.000 0.502 304 A N -0.319 122.438 122.820 -0.106 0.000 2.440 304 A HA 0.506 4.827 4.320 0.000 0.000 0.251 304 A C 0.105 177.591 177.584 -0.163 0.000 1.089 304 A CA -0.332 51.631 52.037 -0.124 0.000 0.779 304 A CB -0.424 18.511 19.000 -0.108 0.000 1.022 304 A HN 0.723 nan 8.150 nan 0.000 0.492 305 L N 4.190 125.280 121.223 -0.221 0.000 2.455 305 L HA 0.198 4.538 4.340 0.000 0.000 0.272 305 L C -1.595 175.132 176.870 -0.238 0.000 1.174 305 L CA -1.326 53.297 54.840 -0.360 0.000 0.869 305 L CB 0.185 41.883 42.059 -0.601 0.000 1.130 305 L HN 0.533 nan 8.230 nan 0.000 0.474 306 P HA 0.059 nan 4.420 nan 0.000 0.265 306 P C -0.250 177.068 177.300 0.029 0.000 1.193 306 P CA -0.305 62.786 63.100 -0.015 0.000 0.765 306 P CB 0.441 32.200 31.700 0.099 0.000 0.823 307 T N -0.363 114.178 114.554 -0.022 0.000 2.810 307 T HA 0.181 4.531 4.350 0.000 0.000 0.277 307 T C 0.307 174.959 174.700 -0.079 0.000 0.973 307 T CA -0.849 61.232 62.100 -0.032 0.000 0.949 307 T CB 0.294 69.128 68.868 -0.057 0.000 1.075 307 T HN 0.496 nan 8.240 nan 0.000 0.537 308 Q N 0.908 120.609 119.800 -0.165 0.000 2.315 308 Q HA -0.037 4.303 4.340 0.000 0.000 0.289 308 Q C -0.093 175.707 176.000 -0.332 0.000 1.044 308 Q CA -0.014 55.626 55.803 -0.272 0.000 0.920 308 Q CB 0.224 28.734 28.738 -0.380 0.000 1.214 308 Q HN 0.679 nan 8.270 nan 0.000 0.392 309 N N 4.425 123.025 118.700 -0.167 0.000 2.437 309 N HA 0.078 4.818 4.740 0.000 0.000 0.243 309 N C -1.371 174.221 175.510 0.136 0.000 1.041 309 N CA -0.159 52.899 53.050 0.012 0.000 0.940 309 N CB 0.371 38.972 38.487 0.191 0.000 1.133 309 N HN 0.512 nan 8.380 nan 0.000 0.506 310 Y N 2.008 122.418 120.300 0.184 0.000 2.377 310 Y HA 0.144 4.694 4.550 0.000 0.000 0.330 310 Y C 0.690 176.652 175.900 0.104 0.000 1.108 310 Y CA -0.452 57.735 58.100 0.146 0.000 1.308 310 Y CB 1.170 39.675 38.460 0.074 0.000 1.216 310 Y HN 0.155 nan 8.280 nan 0.000 0.518 311 V N 3.180 123.217 119.914 0.205 0.000 2.667 311 V HA 0.082 4.202 4.120 0.000 0.000 0.308 311 V C 0.115 176.161 176.094 -0.080 0.000 1.048 311 V CA -0.367 61.885 62.300 -0.080 0.000 0.928 311 V CB 1.994 33.492 31.823 -0.540 0.000 1.004 311 V HN 0.891 nan 8.190 nan 0.000 0.444 312 D N 2.037 122.373 120.400 -0.107 0.000 2.249 312 D HA 0.075 4.715 4.640 0.000 0.000 0.205 312 D C 0.512 176.747 176.300 -0.108 0.000 0.962 312 D CA 1.166 55.116 54.000 -0.083 0.000 0.860 312 D CB 0.406 41.167 40.800 -0.065 0.000 0.955 312 D HN 0.487 nan 8.370 nan 0.000 0.505 313 S N -1.018 114.587 115.700 -0.159 0.000 2.533 313 S HA 0.343 4.813 4.470 0.000 0.000 0.271 313 S C -0.319 174.151 174.600 -0.216 0.000 1.143 313 S CA -0.850 57.260 58.200 -0.151 0.000 0.891 313 S CB 0.748 63.884 63.200 -0.106 0.000 1.105 313 S HN 0.170 nan 8.310 nan 0.000 0.468 314 I N 0.584 121.026 120.570 -0.213 0.000 3.856 314 I HA 0.598 4.768 4.170 0.000 0.000 0.333 314 I C -0.027 176.126 176.117 0.061 0.000 1.525 314 I CA -0.256 60.868 61.300 -0.293 0.000 1.173 314 I CB 0.242 37.800 38.000 -0.736 0.000 1.175 314 I HN 0.300 nan 8.210 nan 0.000 0.424 315 D N 1.051 121.487 120.400 0.060 0.000 2.407 315 D HA 0.076 4.716 4.640 0.000 0.000 0.208 315 D C 0.710 176.921 176.300 -0.147 0.000 1.083 315 D CA 0.442 54.482 54.000 0.067 0.000 0.844 315 D CB 0.268 41.056 40.800 -0.020 0.000 0.967 315 D HN 0.333 nan 8.370 nan 0.000 0.506 316 N N 0.437 119.084 118.700 -0.088 0.000 2.234 316 N HA 0.088 4.828 4.740 0.000 0.000 0.227 316 N C -0.030 175.406 175.510 -0.123 0.000 1.151 316 N CA -0.330 52.616 53.050 -0.172 0.000 0.865 316 N CB -0.012 38.414 38.487 -0.101 0.000 1.066 316 N HN 0.170 nan 8.380 nan 0.000 0.515 317 F N -0.045 119.947 119.950 0.069 0.000 2.539 317 F HA 0.217 4.744 4.527 0.000 0.000 0.340 317 F C 0.881 176.762 175.800 0.135 0.000 1.185 317 F CA -1.424 56.654 58.000 0.129 0.000 1.333 317 F CB 0.245 39.390 39.000 0.241 0.000 1.152 317 F HN -0.147 nan 8.300 nan 0.000 0.602 318 L N 2.320 123.720 121.223 0.295 0.000 2.559 318 L HA 0.061 4.402 4.340 0.000 0.000 0.274 318 L C -0.167 176.927 176.870 0.374 0.000 1.205 318 L CA 0.415 55.408 54.840 0.255 0.000 0.907 318 L CB -0.223 42.004 42.059 0.279 0.000 1.153 318 L HN 0.731 nan 8.230 nan 0.000 0.490 319 D N 3.887 124.456 120.400 0.282 0.000 2.380 319 D HA 0.025 4.665 4.640 0.000 0.000 0.230 319 D C 0.730 177.315 176.300 0.476 0.000 1.154 319 D CA -0.241 54.005 54.000 0.410 0.000 0.859 319 D CB 0.772 41.798 40.800 0.377 0.000 1.045 319 D HN 0.704 nan 8.370 nan 0.000 0.495 320 D N 3.077 123.765 120.400 0.480 0.000 2.351 320 D HA -0.228 4.412 4.640 0.000 0.000 0.216 320 D C 1.691 178.153 176.300 0.271 0.000 0.968 320 D CA 0.129 54.361 54.000 0.387 0.000 0.899 320 D CB -0.471 40.572 40.800 0.406 0.000 0.907 320 D HN 0.458 nan 8.370 nan 0.000 0.514 321 F N 0.907 120.932 119.950 0.124 0.000 2.202 321 F HA -0.190 4.337 4.527 0.000 0.000 0.301 321 F C 1.237 176.950 175.800 -0.144 0.000 1.082 321 F CA 1.122 59.081 58.000 -0.070 0.000 1.313 321 F CB -0.187 38.691 39.000 -0.203 0.000 1.024 321 F HN -0.157 nan 8.300 nan 0.000 0.495 322 Y N -0.242 120.169 120.300 0.185 0.000 2.457 322 Y HA 0.190 4.740 4.550 0.000 0.000 0.263 322 Y C 0.435 176.359 175.900 0.041 0.000 1.164 322 Y CA -0.779 57.378 58.100 0.097 0.000 1.274 322 Y CB -0.311 38.259 38.460 0.183 0.000 1.097 322 Y HN -0.174 nan 8.280 nan 0.000 0.523 323 L N 1.092 122.401 121.223 0.144 0.000 2.483 323 L HA 0.025 4.366 4.340 0.000 0.000 0.276 323 L C -0.037 176.854 176.870 0.035 0.000 1.213 323 L CA 0.181 55.080 54.840 0.099 0.000 0.843 323 L CB 0.410 42.520 42.059 0.085 0.000 1.107 323 L HN 0.249 nan 8.230 nan 0.000 0.487 324 Q N 4.467 124.298 119.800 0.053 0.000 2.363 324 Q HA 0.361 4.701 4.340 0.000 0.000 0.265 324 Q C -2.258 173.767 176.000 0.042 0.000 1.032 324 Q CA -1.882 53.939 55.803 0.030 0.000 0.746 324 Q CB 1.557 30.313 28.738 0.031 0.000 1.237 324 Q HN 0.387 nan 8.270 nan 0.000 0.475 325 P HA -0.147 nan 4.420 nan 0.000 0.264 325 P C -0.383 176.957 177.300 0.067 0.000 1.183 325 P CA 0.326 63.459 63.100 0.055 0.000 0.763 325 P CB 0.449 32.168 31.700 0.031 0.000 0.807 326 Y N 2.975 123.268 120.300 -0.012 0.000 2.181 326 Y HA -0.152 4.399 4.550 0.000 0.000 0.288 326 Y C 0.771 176.640 175.900 -0.052 0.000 1.146 326 Y CA 1.507 59.584 58.100 -0.039 0.000 1.164 326 Y CB 0.066 38.483 38.460 -0.071 0.000 0.982 326 Y HN 0.379 nan 8.280 nan 0.000 0.515 327 E N 1.944 122.195 120.200 0.085 0.000 1.941 327 E HA 0.102 4.452 4.350 0.000 0.000 0.275 327 E C -0.603 175.987 176.600 -0.016 0.000 1.113 327 E CA -0.236 56.171 56.400 0.012 0.000 0.878 327 E CB 0.383 30.134 29.700 0.085 0.000 1.070 327 E HN 0.215 nan 8.360 nan 0.000 0.399 328 K N 2.672 123.016 120.400 -0.093 0.000 2.412 328 K HA 0.072 4.392 4.320 0.000 0.000 0.281 328 K C -0.208 176.428 176.600 0.061 0.000 1.027 328 K CA 0.542 56.783 56.287 -0.078 0.000 0.989 328 K CB 0.520 32.816 32.500 -0.339 0.000 0.935 328 K HN 0.404 nan 8.250 nan 0.000 0.475 329 E N 1.354 121.639 120.200 0.142 0.000 2.246 329 E HA 0.308 4.659 4.350 0.000 0.000 0.266 329 E C -1.050 175.572 176.600 0.037 0.000 0.880 329 E CA -0.761 55.684 56.400 0.075 0.000 0.762 329 E CB 1.926 31.592 29.700 -0.057 0.000 1.180 329 E HN 0.654 nan 8.360 nan 0.000 0.416 330 A N 3.330 126.098 122.820 -0.088 0.000 2.483 330 A HA 0.143 4.463 4.320 0.000 0.000 0.238 330 A C 0.358 177.684 177.584 -0.429 0.000 1.070 330 A CA -0.254 51.511 52.037 -0.454 0.000 0.770 330 A CB 0.136 18.904 19.000 -0.386 0.000 1.008 330 A HN 0.844 nan 8.150 nan 0.000 0.497 331 I N 1.691 122.018 120.570 -0.406 0.000 2.906 331 I HA -0.032 4.138 4.170 0.000 0.000 0.302 331 I C -0.279 175.684 176.117 -0.256 0.000 1.220 331 I CA 0.158 61.267 61.300 -0.317 0.000 1.441 331 I CB 0.103 37.993 38.000 -0.184 0.000 1.336 331 I HN 0.617 nan 8.210 nan 0.000 0.565 332 Y N 6.063 126.301 120.300 -0.103 0.000 2.578 332 Y HA 0.197 4.747 4.550 0.000 0.000 0.339 332 Y C 1.434 177.285 175.900 -0.081 0.000 1.231 332 Y CA 0.022 58.067 58.100 -0.092 0.000 1.461 332 Y CB 0.403 38.797 38.460 -0.109 0.000 1.323 332 Y HN 0.709 nan 8.280 nan 0.000 0.590 333 G N 1.565 110.439 108.800 0.124 0.000 2.647 333 G HA2 0.005 3.965 3.960 0.000 0.000 0.271 333 G HA3 0.005 3.965 3.960 0.000 0.000 0.271 333 G C -0.477 174.445 174.900 0.036 0.000 1.300 333 G CA -0.765 44.370 45.100 0.057 0.000 0.997 333 G HN 0.556 nan 8.290 nan 0.000 0.533 334 E N 0.878 121.097 120.200 0.032 0.000 2.558 334 E HA 0.040 4.390 4.350 0.000 0.000 0.255 334 E C -1.864 174.727 176.600 -0.015 0.000 0.968 334 E CA -0.679 55.736 56.400 0.025 0.000 0.939 334 E CB 0.396 30.118 29.700 0.036 0.000 0.921 334 E HN 0.092 nan 8.360 nan 0.000 0.477 335 P HA 0.008 nan 4.420 nan 0.000 0.267 335 P C 0.185 177.446 177.300 -0.065 0.000 1.205 335 P CA 0.054 63.103 63.100 -0.084 0.000 0.765 335 P CB 0.583 32.227 31.700 -0.093 0.000 0.828 336 D N -0.121 120.228 120.400 -0.085 0.000 2.289 336 D HA -0.071 4.569 4.640 0.000 0.000 0.207 336 D C 0.250 176.526 176.300 -0.040 0.000 0.966 336 D CA 1.511 55.474 54.000 -0.062 0.000 0.868 336 D CB 0.112 40.871 40.800 -0.069 0.000 0.943 336 D HN 0.432 nan 8.370 nan 0.000 0.514 337 H N 0.226 119.196 119.070 -0.166 0.000 3.018 337 H HA 0.334 4.890 4.556 0.000 0.000 0.334 337 H C -1.522 173.678 175.328 -0.213 0.000 0.983 337 H CA -0.532 55.412 56.048 -0.173 0.000 1.363 337 H CB 0.919 30.562 29.762 -0.198 0.000 1.668 337 H HN -0.353 nan 8.280 nan 0.000 0.513 338 V N 7.710 127.712 119.914 0.148 0.000 2.370 338 V HA 0.344 4.464 4.120 0.000 0.000 0.283 338 V C 0.519 176.585 176.094 -0.046 0.000 1.023 338 V CA -0.569 61.725 62.300 -0.010 0.000 0.857 338 V CB 1.308 33.127 31.823 -0.007 0.000 0.985 338 V HN 0.579 nan 8.190 nan 0.000 0.443 339 I N 4.099 124.510 120.570 -0.265 0.000 2.330 339 I HA 0.374 4.544 4.170 0.000 0.000 0.289 339 I C 0.113 176.046 176.117 -0.307 0.000 1.001 339 I CA -0.018 61.026 61.300 -0.426 0.000 1.193 339 I CB 1.615 39.108 38.000 -0.845 0.000 1.345 339 I HN 0.497 nan 8.210 nan 0.000 0.461 340 T N 6.383 120.835 114.554 -0.170 0.000 2.756 340 T HA 0.490 4.840 4.350 0.000 0.000 0.290 340 T C -0.224 174.450 174.700 -0.043 0.000 0.985 340 T CA -0.533 61.516 62.100 -0.085 0.000 0.955 340 T CB 1.241 70.112 68.868 0.005 0.000 0.930 340 T HN 0.396 nan 8.240 nan 0.000 0.451 341 V N 0.521 120.396 119.914 -0.064 0.000 2.588 341 V HA 0.712 4.832 4.120 0.000 0.000 0.304 341 V C -1.043 175.120 176.094 0.115 0.000 1.042 341 V CA -1.112 61.221 62.300 0.055 0.000 0.877 341 V CB 2.037 33.833 31.823 -0.045 0.000 0.996 341 V HN 0.555 nan 8.190 nan 0.000 0.425 342 D N 3.141 123.655 120.400 0.191 0.000 2.193 342 D HA 0.590 5.230 4.640 0.000 0.000 0.244 342 D C -0.348 176.081 176.300 0.214 0.000 1.064 342 D CA -0.106 53.987 54.000 0.155 0.000 0.845 342 D CB 2.100 42.970 40.800 0.116 0.000 1.148 342 D HN 0.536 nan 8.370 nan 0.000 0.464 343 V N 2.703 122.700 119.914 0.138 0.000 2.370 343 V HA 0.524 4.644 4.120 0.000 0.000 0.279 343 V C 0.080 176.214 176.094 0.067 0.000 1.029 343 V CA -0.536 61.815 62.300 0.084 0.000 0.870 343 V CB 1.664 33.497 31.823 0.018 0.000 0.984 343 V HN 0.294 nan 8.190 nan 0.000 0.451 344 V N 6.308 126.287 119.914 0.108 0.000 3.087 344 V HA 0.613 4.733 4.120 0.000 0.000 0.306 344 V C -1.022 175.201 176.094 0.214 0.000 1.187 344 V CA -0.725 61.649 62.300 0.122 0.000 0.999 344 V CB 2.652 34.529 31.823 0.089 0.000 1.049 344 V HN 0.849 nan 8.190 nan 0.000 0.431 345 M N 4.401 124.106 119.600 0.176 0.000 2.264 345 M HA 0.663 5.143 4.480 0.000 0.000 0.352 345 M C -0.709 175.734 176.300 0.239 0.000 1.173 345 M CA 0.127 55.561 55.300 0.224 0.000 1.075 345 M CB 1.051 33.726 32.600 0.125 0.000 1.621 345 M HN 0.728 nan 8.290 nan 0.000 0.457 346 D N 0.940 121.571 120.400 0.385 0.000 2.609 346 D HA 0.356 4.996 4.640 0.000 0.000 0.239 346 D C -1.413 175.108 176.300 0.369 0.000 1.229 346 D CA -0.471 53.684 54.000 0.258 0.000 0.808 346 D CB 1.662 42.481 40.800 0.031 0.000 1.448 346 D HN 0.507 nan 8.370 nan 0.000 0.433 347 N N 1.277 120.135 118.700 0.263 0.000 2.518 347 N HA 0.383 5.123 4.740 0.000 0.000 0.283 347 N C -0.262 175.503 175.510 0.426 0.000 1.119 347 N CA -0.185 53.054 53.050 0.316 0.000 0.983 347 N CB 1.417 40.069 38.487 0.275 0.000 1.139 347 N HN 0.332 nan 8.380 nan 0.000 0.465 348 L N 1.074 122.503 121.223 0.343 0.000 2.421 348 L HA 0.321 4.661 4.340 0.000 0.000 0.267 348 L C 1.942 178.812 176.870 -0.000 0.000 1.036 348 L CA -0.730 54.237 54.840 0.211 0.000 0.829 348 L CB 0.741 42.950 42.059 0.251 0.000 1.437 348 L HN 0.475 nan 8.230 nan 0.000 0.488 349 K N 0.696 121.061 120.400 -0.058 0.000 2.160 349 K HA -0.198 4.122 4.320 0.000 0.000 0.206 349 K C 1.367 177.919 176.600 -0.080 0.000 1.047 349 K CA 1.917 58.130 56.287 -0.123 0.000 0.930 349 K CB -0.049 32.403 32.500 -0.080 0.000 0.720 349 K HN 0.678 nan 8.250 nan 0.000 0.450 350 N N -0.659 118.035 118.700 -0.010 0.000 2.461 350 N HA -0.023 4.717 4.740 0.000 0.000 0.188 350 N C 0.995 176.484 175.510 -0.036 0.000 1.134 350 N CA 1.133 54.178 53.050 -0.010 0.000 0.878 350 N CB 0.266 38.772 38.487 0.031 0.000 0.972 350 N HN 0.306 nan 8.380 nan 0.000 0.456 351 G N -0.706 108.074 108.800 -0.033 0.000 2.199 351 G HA2 -0.278 3.682 3.960 0.000 0.000 0.254 351 G HA3 -0.278 3.682 3.960 0.000 0.000 0.254 351 G C 0.039 174.903 174.900 -0.059 0.000 0.982 351 G CA 0.589 45.660 45.100 -0.048 0.000 0.632 351 G HN 0.896 nan 8.290 nan 0.000 0.529 352 V N -0.702 119.168 119.914 -0.074 0.000 2.863 352 V HA 0.722 4.842 4.120 0.000 0.000 0.307 352 V C 0.390 176.342 176.094 -0.236 0.000 1.061 352 V CA -0.583 61.584 62.300 -0.221 0.000 1.024 352 V CB 1.882 33.486 31.823 -0.364 0.000 1.049 352 V HN 0.360 nan 8.190 nan 0.000 0.471 353 N N 2.607 121.099 118.700 -0.347 0.000 2.422 353 N HA 0.346 5.086 4.740 0.000 0.000 0.266 353 N C -1.564 173.728 175.510 -0.364 0.000 1.007 353 N CA -0.227 52.701 53.050 -0.205 0.000 0.941 353 N CB 0.861 39.264 38.487 -0.139 0.000 1.115 353 N HN 0.779 nan 8.380 nan 0.000 0.492 354 Y N 0.753 121.047 120.300 -0.010 0.000 2.602 354 Y HA 0.602 5.152 4.550 0.000 0.000 0.330 354 Y C 0.401 176.196 175.900 -0.174 0.000 1.114 354 Y CA -0.899 57.103 58.100 -0.163 0.000 1.182 354 Y CB 1.702 39.958 38.460 -0.339 0.000 1.305 354 Y HN 0.500 nan 8.280 nan 0.000 0.502 355 A N 1.427 124.175 122.820 -0.121 0.000 2.337 355 A HA 0.810 5.130 4.320 0.000 0.000 0.329 355 A C -1.762 175.607 177.584 -0.359 0.000 1.146 355 A CA -0.445 51.524 52.037 -0.112 0.000 0.800 355 A CB 0.304 19.266 19.000 -0.064 0.000 1.220 355 A HN 0.561 nan 8.150 nan 0.000 0.472 356 F N 0.331 120.280 119.950 -0.000 0.000 2.529 356 F HA 0.494 5.021 4.527 0.000 0.000 0.320 356 F C -0.563 175.254 175.800 0.027 0.000 1.118 356 F CA -0.303 57.727 58.000 0.049 0.000 0.915 356 F CB 2.025 41.074 39.000 0.082 0.000 1.161 356 F HN 0.506 nan 8.300 nan 0.000 0.445 357 F N 4.158 124.352 119.950 0.405 0.000 2.391 357 F HA 0.262 4.789 4.527 0.000 0.000 0.359 357 F C 0.783 176.849 175.800 0.443 0.000 1.122 357 F CA -0.376 57.863 58.000 0.398 0.000 1.120 357 F CB 0.578 39.851 39.000 0.455 0.000 1.142 357 F HN 0.615 nan 8.300 nan 0.000 0.483 358 N N 1.740 120.749 118.700 0.516 0.000 1.347 358 N HA -0.360 4.380 4.740 0.000 0.000 0.141 358 N C 0.491 176.150 175.510 0.249 0.000 0.677 358 N CA 1.904 55.148 53.050 0.324 0.000 1.016 358 N CB -0.861 37.817 38.487 0.318 0.000 1.268 358 N HN 0.704 nan 8.380 nan 0.000 0.487 359 N N 1.890 120.702 118.700 0.186 0.000 2.273 359 N HA 0.302 5.042 4.740 0.000 0.000 0.231 359 N C -0.491 175.181 175.510 0.270 0.000 1.134 359 N CA 0.120 53.245 53.050 0.124 0.000 0.856 359 N CB -0.022 38.474 38.487 0.016 0.000 1.068 359 N HN 0.597 nan 8.380 nan 0.000 0.510 360 I N 0.393 121.176 120.570 0.354 0.000 2.466 360 I HA 0.240 4.410 4.170 0.000 0.000 0.289 360 I C -0.528 175.736 176.117 0.246 0.000 1.026 360 I CA -0.590 60.844 61.300 0.224 0.000 1.078 360 I CB 2.227 40.157 38.000 -0.117 0.000 1.249 360 I HN -0.158 nan 8.210 nan 0.000 0.429 361 T N 4.825 119.367 114.554 -0.019 0.000 2.799 361 T HA 0.203 4.553 4.350 0.000 0.000 0.286 361 T C -0.486 174.230 174.700 0.026 0.000 0.973 361 T CA -0.238 61.754 62.100 -0.181 0.000 1.035 361 T CB 0.403 68.948 68.868 -0.538 0.000 0.932 361 T HN 0.297 nan 8.240 nan 0.000 0.469 362 Y N 3.527 123.880 120.300 0.088 0.000 2.729 362 Y HA 0.175 4.725 4.550 0.000 0.000 0.331 362 Y C 0.144 176.076 175.900 0.054 0.000 1.208 362 Y CA 0.268 58.460 58.100 0.154 0.000 1.521 362 Y CB 0.069 38.711 38.460 0.303 0.000 1.233 362 Y HN 0.537 nan 8.280 nan 0.000 0.539 363 T N 7.258 121.404 114.554 -0.680 0.000 2.864 363 T HA 0.606 4.956 4.350 0.000 0.000 0.299 363 T C -0.266 173.928 174.700 -0.843 0.000 1.011 363 T CA -0.383 61.355 62.100 -0.603 0.000 0.975 363 T CB 0.662 69.329 68.868 -0.335 0.000 0.962 363 T HN 0.915 nan 8.240 nan 0.000 0.448 364 A N 5.942 128.286 122.820 -0.793 0.000 2.565 364 A HA 0.433 4.753 4.320 0.000 0.000 0.237 364 A C -1.764 175.545 177.584 -0.460 0.000 1.053 364 A CA -0.568 51.119 52.037 -0.585 0.000 0.755 364 A CB -0.362 18.361 19.000 -0.462 0.000 0.980 364 A HN 0.518 nan 8.150 nan 0.000 0.506 365 P HA 0.314 nan 4.420 nan 0.000 0.279 365 P C 0.053 177.255 177.300 -0.163 0.000 1.276 365 P CA -0.451 62.551 63.100 -0.163 0.000 0.801 365 P CB 0.799 32.492 31.700 -0.013 0.000 1.127 366 K N -0.960 119.410 120.400 -0.051 0.000 2.366 366 K HA 0.140 4.460 4.320 0.000 0.000 0.198 366 K C 0.025 176.740 176.600 0.192 0.000 1.044 366 K CA 0.667 56.969 56.287 0.026 0.000 0.973 366 K CB 0.097 32.596 32.500 -0.001 0.000 0.767 366 K HN 0.177 nan 8.250 nan 0.000 0.475 367 V N 2.128 122.152 119.914 0.183 0.000 2.638 367 V HA 0.236 4.356 4.120 0.000 0.000 0.306 367 V C -2.595 173.612 176.094 0.188 0.000 1.052 367 V CA -2.538 59.861 62.300 0.165 0.000 0.885 367 V CB 1.772 33.627 31.823 0.054 0.000 0.999 367 V HN -0.079 nan 8.190 nan 0.000 0.424 368 P HA 0.070 nan 4.420 nan 0.000 0.264 368 P C 1.092 178.415 177.300 0.037 0.000 1.183 368 P CA 0.423 63.549 63.100 0.044 0.000 0.763 368 P CB 0.487 32.103 31.700 -0.141 0.000 0.807 369 T N 2.567 117.150 114.554 0.049 0.000 2.624 369 T HA -0.231 4.119 4.350 0.000 0.000 0.268 369 T C 1.625 176.348 174.700 0.038 0.000 1.041 369 T CA 1.453 63.600 62.100 0.078 0.000 1.159 369 T CB -0.686 68.191 68.868 0.015 0.000 0.863 369 T HN 0.296 nan 8.240 nan 0.000 0.434 370 L N 0.330 121.514 121.223 -0.065 0.000 2.042 370 L HA -0.066 4.274 4.340 0.000 0.000 0.210 370 L C 2.262 179.091 176.870 -0.069 0.000 1.076 370 L CA 1.807 56.587 54.840 -0.099 0.000 0.749 370 L CB -0.642 41.315 42.059 -0.170 0.000 0.893 370 L HN 0.161 nan 8.230 nan 0.000 0.432 371 M N -0.977 118.583 119.600 -0.068 0.000 2.213 371 M HA -0.158 4.322 4.480 0.000 0.000 0.263 371 M C 2.243 178.516 176.300 -0.044 0.000 1.062 371 M CA 2.132 57.396 55.300 -0.061 0.000 1.105 371 M CB -1.019 31.544 32.600 -0.061 0.000 1.385 371 M HN 0.593 nan 8.290 nan 0.000 0.417 372 T N -2.256 112.280 114.554 -0.029 0.000 2.851 372 T HA -0.055 4.295 4.350 0.000 0.000 0.262 372 T C 1.884 176.543 174.700 -0.067 0.000 1.043 372 T CA 1.235 63.296 62.100 -0.065 0.000 1.140 372 T CB -0.921 67.874 68.868 -0.122 0.000 0.872 372 T HN 0.248 nan 8.240 nan 0.000 0.446 373 V N 1.263 121.188 119.914 0.017 0.000 2.407 373 V HA 0.059 4.179 4.120 0.000 0.000 0.248 373 V C 2.280 178.355 176.094 -0.032 0.000 1.055 373 V CA 1.706 64.020 62.300 0.023 0.000 1.049 373 V CB -0.861 31.009 31.823 0.079 0.000 0.662 373 V HN 0.603 nan 8.190 nan 0.000 0.455 374 L N 1.212 122.411 121.223 -0.040 0.000 2.610 374 L HA 0.141 4.481 4.340 0.000 0.000 0.232 374 L C 1.741 178.590 176.870 -0.036 0.000 1.149 374 L CA 1.059 55.874 54.840 -0.042 0.000 0.872 374 L CB -0.136 41.888 42.059 -0.058 0.000 0.992 374 L HN 0.695 nan 8.230 nan 0.000 0.447 375 S N -3.403 112.273 115.700 -0.041 0.000 2.960 375 S HA 0.033 4.503 4.470 0.000 0.000 0.256 375 S C 1.167 175.741 174.600 -0.043 0.000 1.017 375 S CA 0.081 58.259 58.200 -0.036 0.000 1.144 375 S CB 0.223 63.400 63.200 -0.037 0.000 1.109 375 S HN 0.244 nan 8.310 nan 0.000 0.638 376 S N 0.366 116.033 115.700 -0.055 0.000 2.535 376 S HA 0.550 5.020 4.470 0.000 0.000 0.214 376 S C 1.640 176.226 174.600 -0.022 0.000 0.980 376 S CA 0.603 58.762 58.200 -0.067 0.000 0.907 376 S CB -0.427 62.691 63.200 -0.136 0.000 0.790 376 S HN 1.510 nan 8.310 nan 0.000 0.510 377 G N 2.895 111.701 108.800 0.009 0.000 2.602 377 G HA2 -0.374 3.586 3.960 0.000 0.000 0.310 377 G HA3 -0.374 3.586 3.960 0.000 0.000 0.310 377 G C 0.198 175.189 174.900 0.152 0.000 1.183 377 G CA 0.661 45.802 45.100 0.067 0.000 0.979 377 G HN 0.485 nan 8.290 nan 0.000 0.545 378 D N 0.947 121.454 120.400 0.179 0.000 2.349 378 D HA 0.131 4.771 4.640 0.000 0.000 0.224 378 D C 2.078 178.541 176.300 0.271 0.000 1.029 378 D CA 0.849 55.045 54.000 0.327 0.000 0.879 378 D CB 0.379 41.287 40.800 0.180 0.000 0.906 378 D HN 0.527 nan 8.370 nan 0.000 0.528 379 Q N -0.283 119.577 119.800 0.100 0.000 2.280 379 Q HA 0.265 4.605 4.340 0.000 0.000 0.201 379 Q C 1.535 177.504 176.000 -0.052 0.000 0.890 379 Q CA -0.159 55.661 55.803 0.029 0.000 0.947 379 Q CB 0.417 29.145 28.738 -0.016 0.000 1.081 379 Q HN 0.129 nan 8.270 nan 0.000 0.502 380 A N 0.464 123.207 122.820 -0.128 0.000 2.168 380 A HA -0.124 4.196 4.320 0.000 0.000 0.215 380 A C 1.646 179.152 177.584 -0.131 0.000 1.152 380 A CA 1.217 53.154 52.037 -0.168 0.000 0.716 380 A CB -0.237 18.593 19.000 -0.283 0.000 0.794 380 A HN 0.326 nan 8.150 nan 0.000 0.465 381 N N 0.302 118.884 118.700 -0.197 0.000 2.424 381 N HA -0.055 4.685 4.740 0.000 0.000 0.178 381 N C 0.184 175.741 175.510 0.079 0.000 1.060 381 N CA 0.137 53.155 53.050 -0.053 0.000 0.901 381 N CB -0.336 38.220 38.487 0.116 0.000 0.979 381 N HN 0.358 nan 8.380 nan 0.000 0.451 382 N N 0.084 118.834 118.700 0.083 0.000 2.401 382 N HA 0.026 4.766 4.740 0.000 0.000 0.255 382 N C 0.779 176.380 175.510 0.151 0.000 1.110 382 N CA 0.108 53.209 53.050 0.085 0.000 0.949 382 N CB 0.823 39.331 38.487 0.034 0.000 1.110 382 N HN 0.147 nan 8.380 nan 0.000 0.490 383 S N 2.570 118.366 115.700 0.160 0.000 2.419 383 S HA -0.186 4.284 4.470 0.000 0.000 0.233 383 S C 1.426 176.143 174.600 0.195 0.000 1.016 383 S CA 0.880 59.213 58.200 0.223 0.000 0.974 383 S CB -0.319 62.945 63.200 0.106 0.000 0.786 383 S HN 0.782 nan 8.310 nan 0.000 0.492 384 E N 1.805 122.053 120.200 0.079 0.000 2.130 384 E HA -0.208 4.142 4.350 0.000 0.000 0.196 384 E C 2.014 178.600 176.600 -0.023 0.000 0.998 384 E CA 1.645 58.058 56.400 0.021 0.000 0.806 384 E CB -0.411 29.288 29.700 -0.001 0.000 0.738 384 E HN 0.901 nan 8.360 nan 0.000 0.459 385 I N -2.213 118.292 120.570 -0.108 0.000 2.830 385 I HA -0.144 4.026 4.170 0.000 0.000 0.263 385 I C 1.213 177.118 176.117 -0.353 0.000 1.230 385 I CA 0.782 61.922 61.300 -0.267 0.000 1.480 385 I CB -0.328 37.438 38.000 -0.390 0.000 1.095 385 I HN -0.007 nan 8.210 nan 0.000 0.455 386 Y N 2.614 122.889 120.300 -0.042 0.000 2.511 386 Y HA 0.456 5.006 4.550 0.000 0.000 0.279 386 Y C 1.458 177.336 175.900 -0.036 0.000 1.157 386 Y CA 0.442 58.518 58.100 -0.039 0.000 1.300 386 Y CB -0.128 38.308 38.460 -0.040 0.000 1.052 386 Y HN 0.409 nan 8.280 nan 0.000 0.529 387 G N -0.288 108.549 108.800 0.061 0.000 2.570 387 G HA2 -0.130 3.831 3.960 0.000 0.000 0.686 387 G HA3 -0.130 3.831 3.960 0.000 0.000 0.686 387 G C 0.443 175.344 174.900 0.002 0.000 1.257 387 G CA -0.227 44.880 45.100 0.011 0.000 0.846 387 G HN 0.277 nan 8.290 nan 0.000 0.627 388 S N -1.142 114.540 115.700 -0.029 0.000 2.492 388 S HA 0.138 4.608 4.470 0.000 0.000 0.218 388 S C 1.115 175.677 174.600 -0.063 0.000 1.016 388 S CA 1.043 59.217 58.200 -0.045 0.000 0.916 388 S CB 0.263 63.436 63.200 -0.045 0.000 0.791 388 S HN 0.723 nan 8.310 nan 0.000 0.513 389 N N 0.237 118.897 118.700 -0.066 0.000 2.328 389 N HA 0.275 5.015 4.740 0.000 0.000 0.247 389 N C 0.550 176.010 175.510 -0.082 0.000 1.165 389 N CA 0.172 53.171 53.050 -0.085 0.000 0.873 389 N CB 0.550 38.970 38.487 -0.113 0.000 1.125 389 N HN 0.317 nan 8.380 nan 0.000 0.513 390 T N -1.877 112.678 114.554 0.001 0.000 2.959 390 T HA 0.043 4.393 4.350 0.000 0.000 0.254 390 T C -0.004 174.903 174.700 0.344 0.000 1.003 390 T CA 0.041 62.200 62.100 0.100 0.000 0.950 390 T CB -0.156 68.761 68.868 0.082 0.000 1.090 390 T HN 0.428 nan 8.240 nan 0.000 0.503 391 H N 1.488 120.617 119.070 0.098 0.000 2.592 391 H HA -0.123 4.433 4.556 0.000 0.000 0.323 391 H C -0.995 174.259 175.328 -0.122 0.000 1.117 391 H CA 0.397 56.452 56.048 0.012 0.000 1.120 391 H CB -1.049 28.850 29.762 0.229 0.000 1.561 391 H HN 0.212 nan 8.280 nan 0.000 0.409 392 T N 2.363 116.858 114.554 -0.099 0.000 2.799 392 T HA 0.434 4.784 4.350 0.000 0.000 0.286 392 T C -0.185 174.253 174.700 -0.438 0.000 0.973 392 T CA -0.273 61.726 62.100 -0.169 0.000 1.035 392 T CB 0.602 69.416 68.868 -0.090 0.000 0.932 392 T HN 0.233 nan 8.240 nan 0.000 0.469 393 F N 1.939 121.871 119.950 -0.030 0.000 2.522 393 F HA 0.611 5.138 4.527 0.000 0.000 0.324 393 F C 0.175 175.919 175.800 -0.094 0.000 1.077 393 F CA -1.176 56.804 58.000 -0.034 0.000 0.944 393 F CB 1.272 40.223 39.000 -0.082 0.000 1.175 393 F HN 0.320 nan 8.300 nan 0.000 0.468 394 I N 3.822 124.482 120.570 0.150 0.000 2.354 394 I HA 0.336 4.506 4.170 0.000 0.000 0.292 394 I C -0.840 175.348 176.117 0.118 0.000 0.989 394 I CA -0.422 60.906 61.300 0.046 0.000 1.188 394 I CB 1.121 39.126 38.000 0.007 0.000 1.342 394 I HN 0.325 nan 8.210 nan 0.000 0.457 395 L N 6.011 127.266 121.223 0.054 0.000 2.309 395 L HA 0.486 4.826 4.340 0.000 0.000 0.282 395 L C 0.150 177.054 176.870 0.057 0.000 1.036 395 L CA -0.905 53.966 54.840 0.052 0.000 0.806 395 L CB 1.019 43.076 42.059 -0.003 0.000 1.220 395 L HN 0.473 nan 8.230 nan 0.000 0.429 396 E N 1.824 122.060 120.200 0.058 0.000 2.349 396 E HA 0.095 4.445 4.350 0.000 0.000 0.262 396 E C 0.631 177.251 176.600 0.032 0.000 1.088 396 E CA -0.361 56.070 56.400 0.053 0.000 0.899 396 E CB 1.218 30.944 29.700 0.043 0.000 1.044 396 E HN 0.506 nan 8.360 nan 0.000 0.420 397 K N 0.951 121.382 120.400 0.052 0.000 2.056 397 K HA -0.249 4.071 4.320 0.000 0.000 0.225 397 K C 0.541 177.150 176.600 0.016 0.000 1.053 397 K CA 2.076 58.391 56.287 0.047 0.000 0.966 397 K CB -0.041 32.488 32.500 0.049 0.000 0.735 397 K HN 0.262 nan 8.250 nan 0.000 0.455 398 D N 0.909 121.300 120.400 -0.015 0.000 2.620 398 D HA 0.045 4.685 4.640 0.000 0.000 0.260 398 D C -0.588 175.647 176.300 -0.109 0.000 1.367 398 D CA -0.107 53.862 54.000 -0.051 0.000 0.805 398 D CB 0.316 41.093 40.800 -0.037 0.000 1.096 398 D HN 0.484 nan 8.370 nan 0.000 0.488 399 E N 0.292 120.425 120.200 -0.111 0.000 2.404 399 E HA 0.137 4.487 4.350 0.000 0.000 0.261 399 E C -0.048 176.386 176.600 -0.278 0.000 1.074 399 E CA -0.107 56.203 56.400 -0.150 0.000 0.917 399 E CB 1.270 30.912 29.700 -0.097 0.000 0.965 399 E HN 0.049 nan 8.360 nan 0.000 0.433 400 I N 2.751 123.150 120.570 -0.285 0.000 2.337 400 I HA 0.072 4.242 4.170 0.000 0.000 0.291 400 I C -0.592 175.269 176.117 -0.428 0.000 1.046 400 I CA -0.598 60.455 61.300 -0.411 0.000 1.324 400 I CB 1.099 38.913 38.000 -0.309 0.000 1.409 400 I HN 0.350 nan 8.210 nan 0.000 0.494 401 V N 6.469 125.958 119.914 -0.708 0.000 2.472 401 V HA 0.341 4.461 4.120 0.000 0.000 0.290 401 V C -0.021 175.682 176.094 -0.652 0.000 1.037 401 V CA -0.632 61.217 62.300 -0.752 0.000 0.908 401 V CB 1.668 32.804 31.823 -1.144 0.000 0.985 401 V HN 0.698 nan 8.190 nan 0.000 0.454 402 E N 4.188 124.129 120.200 -0.433 0.000 2.199 402 E HA 0.554 4.904 4.350 0.000 0.000 0.265 402 E C -1.373 175.018 176.600 -0.349 0.000 0.882 402 E CA -0.630 55.569 56.400 -0.336 0.000 0.759 402 E CB 1.516 31.069 29.700 -0.245 0.000 1.148 402 E HN 0.653 nan 8.360 nan 0.000 0.412 403 I N 4.795 125.155 120.570 -0.349 0.000 2.321 403 I HA 0.244 4.414 4.170 0.000 0.000 0.291 403 I C -0.641 175.302 176.117 -0.291 0.000 0.998 403 I CA -0.981 60.076 61.300 -0.404 0.000 1.227 403 I CB 1.584 39.223 38.000 -0.601 0.000 1.368 403 I HN 0.300 nan 8.210 nan 0.000 0.466 404 V N 7.751 127.507 119.914 -0.262 0.000 2.370 404 V HA 0.364 4.484 4.120 0.000 0.000 0.279 404 V C -0.173 175.787 176.094 -0.223 0.000 1.029 404 V CA -0.539 61.644 62.300 -0.195 0.000 0.870 404 V CB 1.740 33.536 31.823 -0.045 0.000 0.984 404 V HN 0.499 nan 8.190 nan 0.000 0.451 405 L N 5.628 126.647 121.223 -0.339 0.000 2.305 405 L HA 0.617 4.957 4.340 0.000 0.000 0.284 405 L C -0.457 176.242 176.870 -0.286 0.000 1.013 405 L CA -0.224 54.345 54.840 -0.451 0.000 0.819 405 L CB 1.247 42.679 42.059 -1.045 0.000 1.227 405 L HN 0.584 nan 8.230 nan 0.000 0.417 406 N N 3.569 122.202 118.700 -0.110 0.000 2.511 406 N HA 0.175 4.915 4.740 0.000 0.000 0.249 406 N C -0.969 174.556 175.510 0.024 0.000 0.971 406 N CA -0.513 52.533 53.050 -0.007 0.000 0.938 406 N CB 1.274 39.787 38.487 0.044 0.000 1.131 406 N HN 0.483 nan 8.380 nan 0.000 0.505 407 N N 1.352 120.085 118.700 0.055 0.000 2.416 407 N HA -0.007 4.733 4.740 0.000 0.000 0.265 407 N C 0.525 176.106 175.510 0.119 0.000 1.195 407 N CA 0.341 53.454 53.050 0.106 0.000 0.943 407 N CB 0.768 39.374 38.487 0.198 0.000 1.115 407 N HN 0.388 nan 8.380 nan 0.000 0.481 408 Q N 1.382 121.240 119.800 0.096 0.000 2.319 408 Q HA 0.159 4.499 4.340 0.000 0.000 0.202 408 Q C -0.781 175.285 176.000 0.111 0.000 0.896 408 Q CA 0.009 55.866 55.803 0.091 0.000 0.942 408 Q CB 0.291 29.069 28.738 0.066 0.000 1.083 408 Q HN 0.702 nan 8.270 nan 0.000 0.510 409 D N -2.035 118.450 120.400 0.141 0.000 2.229 409 D HA 0.076 4.716 4.640 0.000 0.000 0.249 409 D C 0.737 177.182 176.300 0.240 0.000 1.027 409 D CA -0.191 53.920 54.000 0.185 0.000 0.923 409 D CB 1.375 42.301 40.800 0.209 0.000 1.174 409 D HN 0.056 nan 8.370 nan 0.000 0.443 410 T N -0.319 114.366 114.554 0.218 0.000 3.169 410 T HA 0.329 4.679 4.350 0.000 0.000 0.250 410 T C 0.848 175.680 174.700 0.221 0.000 1.111 410 T CA -0.222 62.001 62.100 0.205 0.000 1.010 410 T CB -0.305 68.657 68.868 0.157 0.000 0.984 410 T HN 0.284 nan 8.240 nan 0.000 0.537 411 G N 0.255 109.223 108.800 0.280 0.000 2.552 411 G HA2 0.562 4.522 3.960 0.000 0.000 0.324 411 G HA3 0.562 4.522 3.960 0.000 0.000 0.324 411 G C -0.893 174.104 174.900 0.163 0.000 1.217 411 G CA -0.735 44.469 45.100 0.174 0.000 0.989 411 G HN 0.264 nan 8.290 nan 0.000 0.490 412 T N 0.886 115.455 114.554 0.025 0.000 2.837 412 T HA 0.499 4.849 4.350 0.000 0.000 0.285 412 T C -0.726 173.936 174.700 -0.063 0.000 0.984 412 T CA -0.128 62.055 62.100 0.139 0.000 1.049 412 T CB 0.610 69.552 68.868 0.123 0.000 0.947 412 T HN 0.454 nan 8.240 nan 0.000 0.472 413 H N 3.065 122.321 119.070 0.310 0.000 2.689 413 H HA 0.296 4.852 4.556 0.000 0.000 0.346 413 H C -2.749 172.680 175.328 0.168 0.000 1.037 413 H CA -2.047 54.088 56.048 0.145 0.000 1.234 413 H CB 2.427 32.144 29.762 -0.075 0.000 1.572 413 H HN 0.354 nan 8.280 nan 0.000 0.524 414 P HA 0.192 nan 4.420 nan 0.000 0.283 414 P C -0.667 176.720 177.300 0.144 0.000 1.412 414 P CA -0.283 62.987 63.100 0.283 0.000 0.912 414 P CB -0.153 31.684 31.700 0.229 0.000 1.132 415 F N 2.918 123.122 119.950 0.424 0.000 2.384 415 F HA 0.374 4.901 4.527 0.000 0.000 0.338 415 F C 1.317 177.302 175.800 0.308 0.000 1.103 415 F CA 0.170 58.315 58.000 0.241 0.000 1.157 415 F CB 0.820 39.962 39.000 0.236 0.000 1.167 415 F HN 0.404 nan 8.300 nan 0.000 0.529 416 H N 2.896 122.068 119.070 0.170 0.000 2.600 416 H HA 0.611 5.167 4.556 0.000 0.000 0.357 416 H C -1.899 173.587 175.328 0.263 0.000 1.106 416 H CA -1.129 55.067 56.048 0.246 0.000 1.193 416 H CB 1.714 31.610 29.762 0.222 0.000 1.594 416 H HN 0.551 nan 8.280 nan 0.000 0.526 417 L N 5.632 126.800 121.223 -0.092 0.000 2.319 417 L HA 0.343 4.683 4.340 0.000 0.000 0.281 417 L C -0.756 175.915 176.870 -0.332 0.000 1.005 417 L CA -0.273 54.577 54.840 0.016 0.000 0.828 417 L CB 0.700 42.943 42.059 0.307 0.000 1.227 417 L HN 0.787 nan 8.230 nan 0.000 0.415 418 H N 3.843 122.733 119.070 -0.300 0.000 2.771 418 H HA 0.261 4.817 4.556 0.000 0.000 0.364 418 H C 1.033 176.041 175.328 -0.533 0.000 1.133 418 H CA 0.805 56.756 56.048 -0.162 0.000 1.423 418 H CB 0.974 30.884 29.762 0.248 0.000 1.425 418 H HN 0.967 nan 8.280 nan 0.000 0.606 419 G N 1.596 109.934 108.800 -0.769 0.000 2.212 419 G HA2 -0.231 3.729 3.960 0.000 0.000 0.266 419 G HA3 -0.231 3.729 3.960 0.000 0.000 0.266 419 G C 0.060 173.983 174.900 -1.629 0.000 0.978 419 G CA 0.393 44.378 45.100 -1.858 0.000 0.632 419 G HN 0.800 nan 8.290 nan 0.000 0.537 420 H N -0.695 117.965 119.070 -0.683 0.000 3.012 420 H HA 0.657 5.213 4.556 0.000 0.000 0.367 420 H C -0.203 174.935 175.328 -0.316 0.000 1.211 420 H CA -0.144 55.453 56.048 -0.752 0.000 1.139 420 H CB 1.690 30.975 29.762 -0.795 0.000 1.838 420 H HN 0.665 nan 8.280 nan 0.000 0.550 421 A N 2.739 125.462 122.820 -0.163 0.000 2.258 421 A HA 0.539 4.859 4.320 0.000 0.000 0.316 421 A C -0.410 177.073 177.584 -0.168 0.000 1.279 421 A CA -0.673 51.281 52.037 -0.138 0.000 0.876 421 A CB -0.520 18.536 19.000 0.094 0.000 1.170 421 A HN 0.476 nan 8.150 nan 0.000 0.520 422 F N 0.404 120.344 119.950 -0.017 0.000 2.380 422 F HA 0.621 5.148 4.527 0.000 0.000 0.321 422 F C 0.377 176.179 175.800 0.004 0.000 1.103 422 F CA -1.083 56.915 58.000 -0.003 0.000 1.067 422 F CB 0.811 39.775 39.000 -0.060 0.000 1.265 422 F HN 0.507 nan 8.300 nan 0.000 0.517 423 Q N 0.750 120.740 119.800 0.316 0.000 2.274 423 Q HA 0.281 4.621 4.340 0.000 0.000 0.256 423 Q C -0.840 175.230 176.000 0.116 0.000 0.927 423 Q CA -0.516 55.361 55.803 0.123 0.000 0.939 423 Q CB 1.427 30.167 28.738 0.004 0.000 1.201 423 Q HN 0.645 nan 8.270 nan 0.000 0.426 424 T N 3.605 118.190 114.554 0.052 0.000 2.747 424 T HA 0.216 4.566 4.350 0.000 0.000 0.301 424 T C 1.158 175.820 174.700 -0.064 0.000 0.952 424 T CA -0.197 61.904 62.100 0.001 0.000 0.983 424 T CB 0.001 68.892 68.868 0.038 0.000 0.930 424 T HN 0.597 nan 8.240 nan 0.000 0.494 425 I N 0.778 121.304 120.570 -0.073 0.000 3.708 425 I HA 0.390 4.560 4.170 0.000 0.000 0.302 425 I C 0.533 176.792 176.117 0.237 0.000 1.255 425 I CA -0.080 61.162 61.300 -0.097 0.000 1.362 425 I CB 0.455 38.123 38.000 -0.555 0.000 1.100 425 I HN 0.413 nan 8.210 nan 0.000 0.434 426 Q N 1.907 121.821 119.800 0.189 0.000 2.309 426 Q HA 0.454 4.794 4.340 0.000 0.000 0.273 426 Q C -1.252 174.831 176.000 0.138 0.000 1.040 426 Q CA -0.842 55.094 55.803 0.223 0.000 0.834 426 Q CB 2.165 31.040 28.738 0.228 0.000 1.345 426 Q HN 0.319 nan 8.270 nan 0.000 0.414 427 R N 3.552 124.028 120.500 -0.040 0.000 2.797 427 R HA 0.194 4.534 4.340 0.000 0.000 0.274 427 R C -1.403 174.878 176.300 -0.031 0.000 1.652 427 R CA -0.377 55.748 56.100 0.041 0.000 1.175 427 R CB 0.924 31.238 30.300 0.022 0.000 1.283 427 R HN 0.794 nan 8.270 nan 0.000 0.513 428 D N 2.406 122.865 120.400 0.099 0.000 2.363 428 D HA 0.013 4.653 4.640 0.000 0.000 0.240 428 D C 0.309 176.631 176.300 0.037 0.000 1.236 428 D CA 0.027 54.084 54.000 0.095 0.000 0.927 428 D CB 0.881 41.833 40.800 0.253 0.000 1.150 428 D HN 0.535 nan 8.370 nan 0.000 0.458 429 R N -0.354 120.090 120.500 -0.093 0.000 2.822 429 R HA 0.268 4.608 4.340 0.000 0.000 0.277 429 R C -0.134 175.990 176.300 -0.292 0.000 1.102 429 R CA -0.456 55.528 56.100 -0.195 0.000 1.207 429 R CB -0.370 29.757 30.300 -0.287 0.000 1.139 429 R HN 0.183 nan 8.270 nan 0.000 0.557 430 T N 1.468 115.906 114.554 -0.194 0.000 2.888 430 T HA 0.046 4.397 4.350 0.000 0.000 0.301 430 T C -0.801 173.695 174.700 -0.340 0.000 1.001 430 T CA 0.351 62.382 62.100 -0.115 0.000 1.147 430 T CB -0.042 68.826 68.868 -0.000 0.000 0.931 430 T HN 0.377 nan 8.240 nan 0.000 0.541 431 Y N 1.761 122.093 120.300 0.054 0.000 2.587 431 Y HA 0.259 4.809 4.550 0.000 0.000 0.328 431 Y C 0.443 176.390 175.900 0.079 0.000 0.980 431 Y CA -1.172 56.949 58.100 0.034 0.000 1.272 431 Y CB 0.672 39.149 38.460 0.028 0.000 1.094 431 Y HN 0.548 nan 8.280 nan 0.000 0.503 432 D N 3.002 123.499 120.400 0.161 0.000 2.325 432 D HA -0.042 4.598 4.640 0.000 0.000 0.251 432 D C 0.907 177.289 176.300 0.136 0.000 1.196 432 D CA -0.052 54.026 54.000 0.129 0.000 0.866 432 D CB 0.752 41.601 40.800 0.082 0.000 1.101 432 D HN 0.671 nan 8.370 nan 0.000 0.476 433 D N 3.049 123.529 120.400 0.134 0.000 2.317 433 D HA -0.114 4.526 4.640 0.000 0.000 0.211 433 D C 1.412 177.766 176.300 0.090 0.000 0.966 433 D CA 0.369 54.439 54.000 0.117 0.000 0.876 433 D CB 0.011 40.880 40.800 0.115 0.000 0.927 433 D HN 0.332 nan 8.370 nan 0.000 0.519 434 A N 0.812 123.681 122.820 0.083 0.000 1.972 434 A HA -0.009 4.311 4.320 0.000 0.000 0.219 434 A C 2.345 179.965 177.584 0.060 0.000 1.169 434 A CA 0.639 52.715 52.037 0.065 0.000 0.635 434 A CB -0.699 18.337 19.000 0.060 0.000 0.810 434 A HN 0.304 nan 8.150 nan 0.000 0.446 435 L N -1.426 119.837 121.223 0.068 0.000 2.591 435 L HA 0.222 4.562 4.340 0.000 0.000 0.228 435 L C 1.570 178.483 176.870 0.071 0.000 1.133 435 L CA 0.667 55.545 54.840 0.063 0.000 0.880 435 L CB 0.198 42.294 42.059 0.063 0.000 1.033 435 L HN 0.582 nan 8.230 nan 0.000 0.450 436 G N -0.455 108.393 108.800 0.079 0.000 2.157 436 G HA2 -0.225 3.735 3.960 0.000 0.000 0.239 436 G HA3 -0.225 3.735 3.960 0.000 0.000 0.239 436 G C 0.076 175.036 174.900 0.099 0.000 0.982 436 G CA -0.337 44.809 45.100 0.077 0.000 0.650 436 G HN 0.412 nan 8.290 nan 0.000 0.527 437 E N 0.238 120.518 120.200 0.134 0.000 2.343 437 E HA 0.484 4.834 4.350 0.000 0.000 0.269 437 E C 0.889 177.596 176.600 0.179 0.000 1.047 437 E CA -0.066 56.449 56.400 0.191 0.000 0.874 437 E CB 1.972 31.835 29.700 0.272 0.000 1.033 437 E HN 0.677 nan 8.360 nan 0.000 0.409 438 V N -0.374 119.639 119.914 0.165 0.000 3.211 438 V HA 0.522 4.642 4.120 0.000 0.000 0.319 438 V C -2.507 173.653 176.094 0.111 0.000 1.096 438 V CA -2.773 59.584 62.300 0.095 0.000 1.029 438 V CB 0.836 32.662 31.823 0.006 0.000 1.137 438 V HN 0.481 nan 8.190 nan 0.000 0.453 439 P HA 0.349 nan 4.420 nan 0.000 0.271 439 P C -1.282 175.973 177.300 -0.076 0.000 1.216 439 P CA 0.387 63.517 63.100 0.050 0.000 0.776 439 P CB 0.036 31.766 31.700 0.051 0.000 0.881 440 H N -0.365 118.505 119.070 -0.333 0.000 2.589 440 H HA 0.410 4.966 4.556 0.000 0.000 0.335 440 H C 0.019 175.290 175.328 -0.095 0.000 1.019 440 H CA -0.217 55.637 56.048 -0.323 0.000 1.213 440 H CB 0.974 30.324 29.762 -0.686 0.000 1.472 440 H HN 0.223 nan 8.280 nan 0.000 0.508 441 S N 2.177 117.901 115.700 0.040 0.000 2.632 441 S HA 0.158 4.628 4.470 0.000 0.000 0.267 441 S C -0.170 174.527 174.600 0.162 0.000 1.276 441 S CA -0.695 57.559 58.200 0.090 0.000 0.998 441 S CB 0.525 63.749 63.200 0.040 0.000 0.953 441 S HN 0.486 nan 8.310 nan 0.000 0.547 442 F N 2.493 122.480 119.950 0.062 0.000 2.529 442 F HA 0.249 4.776 4.527 0.000 0.000 0.365 442 F C 0.155 176.001 175.800 0.078 0.000 1.102 442 F CA -0.597 57.454 58.000 0.085 0.000 1.271 442 F CB 0.335 39.376 39.000 0.068 0.000 1.120 442 F HN 0.372 nan 8.300 nan 0.000 0.579 443 D N 8.152 128.141 120.400 -0.686 0.000 2.440 443 D HA 0.363 5.003 4.640 0.000 0.000 0.239 443 D C -2.128 173.617 176.300 -0.925 0.000 1.084 443 D CA -2.554 51.084 54.000 -0.603 0.000 0.843 443 D CB 1.931 42.587 40.800 -0.239 0.000 1.097 443 D HN 0.210 nan 8.370 nan 0.000 0.531 444 P HA -0.050 nan 4.420 nan 0.000 0.221 444 P C 0.178 177.458 177.300 -0.033 0.000 1.145 444 P CA 0.837 63.744 63.100 -0.321 0.000 0.795 444 P CB 0.453 32.123 31.700 -0.050 0.000 0.775 445 D N -1.907 118.426 120.400 -0.111 0.000 2.333 445 D HA 0.029 4.669 4.640 0.000 0.000 0.208 445 D C 0.306 176.536 176.300 -0.116 0.000 0.984 445 D CA 0.803 54.755 54.000 -0.079 0.000 0.873 445 D CB -0.295 40.462 40.800 -0.073 0.000 0.935 445 D HN 0.176 nan 8.370 nan 0.000 0.521 446 N N -0.210 118.414 118.700 -0.126 0.000 2.594 446 N HA 0.261 5.001 4.740 0.000 0.000 0.280 446 N C -1.646 173.836 175.510 -0.046 0.000 1.156 446 N CA -0.514 52.461 53.050 -0.124 0.000 0.831 446 N CB 0.970 39.411 38.487 -0.076 0.000 1.379 446 N HN 0.069 nan 8.380 nan 0.000 0.536 447 H N 0.253 119.277 119.070 -0.076 0.000 3.064 447 H HA 0.581 5.137 4.556 0.000 0.000 0.352 447 H C -3.020 172.270 175.328 -0.062 0.000 1.260 447 H CA -1.653 54.390 56.048 -0.008 0.000 1.160 447 H CB -0.190 29.652 29.762 0.133 0.000 1.879 447 H HN 0.122 nan 8.280 nan 0.000 0.544 448 P HA 0.291 nan 4.420 nan 0.000 0.269 448 P C -0.374 176.926 177.300 -0.000 0.000 1.217 448 P CA -0.112 63.010 63.100 0.037 0.000 0.783 448 P CB 0.343 32.106 31.700 0.104 0.000 0.898 449 A N 2.267 125.060 122.820 -0.044 0.000 2.520 449 A HA 0.203 4.523 4.320 0.000 0.000 0.245 449 A C 0.097 177.733 177.584 0.085 0.000 1.072 449 A CA -0.194 51.809 52.037 -0.056 0.000 0.761 449 A CB -0.862 18.136 19.000 -0.004 0.000 1.004 449 A HN 0.451 nan 8.150 nan 0.000 0.499 450 F N 3.130 123.220 119.950 0.233 0.000 2.545 450 F HA 0.252 4.779 4.527 0.000 0.000 0.348 450 F C -1.047 174.818 175.800 0.108 0.000 1.163 450 F CA -1.211 56.890 58.000 0.168 0.000 1.331 450 F CB 0.315 39.378 39.000 0.105 0.000 1.138 450 F HN 0.455 nan 8.300 nan 0.000 0.602 451 P HA 0.071 nan 4.420 nan 0.000 0.272 451 P C -0.360 176.962 177.300 0.037 0.000 1.223 451 P CA -0.178 62.992 63.100 0.116 0.000 0.784 451 P CB 0.833 32.517 31.700 -0.026 0.000 0.923 452 E N 0.560 120.760 120.200 0.001 0.000 2.107 452 E HA -0.115 4.235 4.350 0.000 0.000 0.191 452 E C -0.129 176.211 176.600 -0.433 0.000 0.982 452 E CA 1.303 57.599 56.400 -0.173 0.000 0.809 452 E CB -0.204 29.429 29.700 -0.112 0.000 0.756 452 E HN 0.519 nan 8.360 nan 0.000 0.459 453 Y N 0.748 121.013 120.300 -0.058 0.000 2.787 453 Y HA 0.278 4.828 4.550 0.000 0.000 0.352 453 Y C -2.357 173.461 175.900 -0.136 0.000 1.027 453 Y CA -2.645 55.397 58.100 -0.096 0.000 1.219 453 Y CB 0.998 39.414 38.460 -0.073 0.000 1.110 453 Y HN -0.038 nan 8.280 nan 0.000 0.614 454 P HA 0.015 nan 4.420 nan 0.000 0.272 454 P C 0.280 177.483 177.300 -0.161 0.000 1.223 454 P CA -0.405 62.584 63.100 -0.186 0.000 0.784 454 P CB 0.737 32.322 31.700 -0.193 0.000 0.923 455 M N 2.585 122.035 119.600 -0.250 0.000 2.250 455 M HA 0.109 4.589 4.480 0.000 0.000 0.325 455 M C -0.373 175.861 176.300 -0.110 0.000 1.084 455 M CA 0.733 55.931 55.300 -0.170 0.000 1.161 455 M CB -0.104 32.367 32.600 -0.216 0.000 1.481 455 M HN 0.335 nan 8.290 nan 0.000 0.449 456 R N 2.861 123.311 120.500 -0.084 0.000 2.628 456 R HA 0.643 4.984 4.340 0.000 0.000 0.288 456 R C -0.988 175.215 176.300 -0.161 0.000 0.980 456 R CA -0.594 55.449 56.100 -0.096 0.000 0.891 456 R CB 2.105 32.377 30.300 -0.046 0.000 1.188 456 R HN 0.881 nan 8.270 nan 0.000 0.450 457 R N 0.186 120.480 120.500 -0.342 0.000 2.835 457 R HA 0.330 4.670 4.340 0.000 0.000 0.271 457 R C -0.926 174.918 176.300 -0.760 0.000 1.013 457 R CA -0.878 54.995 56.100 -0.380 0.000 0.876 457 R CB 0.341 30.504 30.300 -0.227 0.000 1.348 457 R HN 0.279 nan 8.270 nan 0.000 0.453 458 D N -0.082 120.112 120.400 -0.343 0.000 2.216 458 D HA 0.134 4.774 4.640 0.000 0.000 0.208 458 D C -0.319 176.134 176.300 0.254 0.000 0.960 458 D CA 1.334 55.289 54.000 -0.076 0.000 0.861 458 D CB 0.467 41.446 40.800 0.299 0.000 0.985 458 D HN 0.473 nan 8.370 nan 0.000 0.493 459 T N 0.485 115.192 114.554 0.255 0.000 2.991 459 T HA 0.563 4.913 4.350 0.000 0.000 0.303 459 T C -1.117 173.812 174.700 0.382 0.000 1.015 459 T CA -0.560 61.806 62.100 0.444 0.000 1.007 459 T CB 2.171 71.228 68.868 0.315 0.000 1.034 459 T HN -0.142 nan 8.240 nan 0.000 0.446 460 L N 3.886 125.388 121.223 0.466 0.000 2.455 460 L HA 0.660 5.000 4.340 0.000 0.000 0.264 460 L C -1.440 175.701 176.870 0.452 0.000 0.968 460 L CA -0.889 54.140 54.840 0.316 0.000 0.827 460 L CB 1.512 43.627 42.059 0.093 0.000 1.317 460 L HN 0.739 nan 8.230 nan 0.000 0.407 461 Y N 3.651 124.203 120.300 0.421 0.000 2.308 461 Y HA 0.716 5.266 4.550 0.000 0.000 0.329 461 Y C -0.290 175.990 175.900 0.634 0.000 1.111 461 Y CA -1.379 57.026 58.100 0.509 0.000 1.179 461 Y CB 0.619 39.322 38.460 0.405 0.000 1.201 461 Y HN 0.381 nan 8.280 nan 0.000 0.483 462 V N 2.461 122.901 119.914 0.876 0.000 2.607 462 V HA 0.516 4.636 4.120 0.000 0.000 0.289 462 V C 0.295 176.770 176.094 0.636 0.000 1.053 462 V CA -1.364 61.346 62.300 0.683 0.000 0.996 462 V CB 0.603 32.731 31.823 0.509 0.000 0.995 462 V HN 0.893 nan 8.190 nan 0.000 0.476 463 R N 2.804 123.606 120.500 0.504 0.000 2.577 463 R HA 0.372 4.712 4.340 0.000 0.000 0.269 463 R C -2.515 174.002 176.300 0.362 0.000 1.084 463 R CA -1.778 54.576 56.100 0.423 0.000 1.163 463 R CB 0.149 30.641 30.300 0.321 0.000 1.100 463 R HN 0.470 nan 8.270 nan 0.000 0.547 464 P HA -0.131 nan 4.420 nan 0.000 0.260 464 P C -0.623 176.864 177.300 0.311 0.000 1.172 464 P CA 0.886 64.157 63.100 0.285 0.000 0.760 464 P CB 0.308 32.138 31.700 0.217 0.000 0.773 465 Q N -1.357 118.625 119.800 0.304 0.000 2.481 465 Q HA -0.236 4.104 4.340 0.000 0.000 0.258 465 Q C 0.418 176.623 176.000 0.341 0.000 0.961 465 Q CA 1.012 56.986 55.803 0.285 0.000 1.121 465 Q CB -1.657 27.247 28.738 0.278 0.000 1.503 465 Q HN 0.525 nan 8.270 nan 0.000 0.544 466 S N -0.189 115.731 115.700 0.366 0.000 2.694 466 S HA 0.681 5.151 4.470 0.000 0.000 0.286 466 S C -0.483 174.274 174.600 0.262 0.000 1.080 466 S CA 0.088 58.537 58.200 0.415 0.000 0.953 466 S CB 1.064 64.506 63.200 0.404 0.000 1.313 466 S HN 0.503 nan 8.310 nan 0.000 0.555 467 N N -0.787 118.063 118.700 0.250 0.000 2.708 467 N HA 0.606 5.346 4.740 0.000 0.000 0.257 467 N C -1.132 174.481 175.510 0.171 0.000 1.373 467 N CA -0.926 52.206 53.050 0.137 0.000 0.843 467 N CB 1.169 39.770 38.487 0.189 0.000 1.503 467 N HN 0.638 nan 8.380 nan 0.000 0.504 468 F N -2.128 117.862 119.950 0.066 0.000 2.643 468 F HA 0.887 5.414 4.527 0.000 0.000 0.314 468 F C -1.929 173.771 175.800 -0.167 0.000 1.096 468 F CA -1.306 56.683 58.000 -0.019 0.000 0.953 468 F CB 1.519 40.533 39.000 0.023 0.000 1.345 468 F HN 0.282 nan 8.300 nan 0.000 0.468 469 V N 3.435 123.461 119.914 0.186 0.000 2.525 469 V HA 0.524 4.644 4.120 0.000 0.000 0.299 469 V C -0.311 175.680 176.094 -0.172 0.000 1.034 469 V CA -0.655 61.552 62.300 -0.155 0.000 0.863 469 V CB 1.596 33.031 31.823 -0.646 0.000 0.999 469 V HN 0.821 nan 8.190 nan 0.000 0.423 470 I N 2.076 122.525 120.570 -0.203 0.000 2.740 470 I HA 0.832 5.002 4.170 0.000 0.000 0.303 470 I C -0.483 175.519 176.117 -0.191 0.000 1.044 470 I CA -0.872 60.269 61.300 -0.265 0.000 1.064 470 I CB 2.280 39.919 38.000 -0.601 0.000 1.249 470 I HN 0.449 nan 8.210 nan 0.000 0.433 471 R N 3.973 124.439 120.500 -0.056 0.000 2.744 471 R HA 0.775 5.115 4.340 0.000 0.000 0.279 471 R C -1.639 174.793 176.300 0.222 0.000 0.977 471 R CA -0.678 55.411 56.100 -0.018 0.000 0.906 471 R CB 2.586 32.864 30.300 -0.036 0.000 1.197 471 R HN 0.786 nan 8.270 nan 0.000 0.463 472 F N -1.311 118.546 119.950 -0.154 0.000 2.693 472 F HA 0.503 5.030 4.527 0.000 0.000 0.309 472 F C -1.379 174.103 175.800 -0.530 0.000 1.129 472 F CA -1.299 56.553 58.000 -0.248 0.000 0.948 472 F CB 1.439 40.276 39.000 -0.270 0.000 1.315 472 F HN 0.178 nan 8.300 nan 0.000 0.447 473 K N 1.833 121.900 120.400 -0.555 0.000 2.201 473 K HA 0.718 5.038 4.320 0.000 0.000 0.278 473 K C -0.298 176.142 176.600 -0.266 0.000 1.027 473 K CA -0.591 55.357 56.287 -0.564 0.000 0.909 473 K CB 1.529 33.703 32.500 -0.543 0.000 1.062 473 K HN 0.932 nan 8.250 nan 0.000 0.465 474 A N 4.607 127.259 122.820 -0.281 0.000 2.981 474 A HA 0.053 4.373 4.320 0.000 0.000 0.280 474 A C -0.224 177.378 177.584 0.029 0.000 1.743 474 A CA -0.193 51.813 52.037 -0.052 0.000 1.430 474 A CB -0.499 18.452 19.000 -0.082 0.000 1.085 474 A HN 0.819 nan 8.150 nan 0.000 0.597 475 D N -0.323 120.127 120.400 0.083 0.000 2.501 475 D HA 0.051 4.691 4.640 0.000 0.000 0.224 475 D C -0.162 176.164 176.300 0.043 0.000 1.202 475 D CA -0.206 53.817 54.000 0.037 0.000 0.829 475 D CB -0.028 40.764 40.800 -0.012 0.000 1.023 475 D HN 0.246 nan 8.370 nan 0.000 0.499 476 N N 1.172 119.957 118.700 0.141 0.000 2.750 476 N HA 0.266 5.006 4.740 0.000 0.000 0.253 476 N C -2.964 172.725 175.510 0.300 0.000 1.408 476 N CA -1.756 51.354 53.050 0.099 0.000 0.780 476 N CB 1.218 39.597 38.487 -0.180 0.000 1.191 476 N HN -0.214 nan 8.380 nan 0.000 0.511 477 P HA 0.187 nan 4.420 nan 0.000 0.258 477 P C 0.165 177.537 177.300 0.120 0.000 1.172 477 P CA 0.641 63.829 63.100 0.146 0.000 0.762 477 P CB 0.495 32.241 31.700 0.078 0.000 0.764 478 G N 1.115 109.878 108.800 -0.061 0.000 2.320 478 G HA2 0.366 4.326 3.960 0.000 0.000 0.296 478 G HA3 0.366 4.326 3.960 0.000 0.000 0.296 478 G C -1.935 172.385 174.900 -0.967 0.000 1.306 478 G CA -0.549 44.178 45.100 -0.622 0.000 0.836 478 G HN 0.266 nan 8.290 nan 0.000 0.517 479 V N 0.436 119.581 119.914 -1.282 0.000 2.350 479 V HA 0.621 4.741 4.120 0.000 0.000 0.285 479 V C -1.165 174.394 176.094 -0.893 0.000 1.014 479 V CA -0.281 61.514 62.300 -0.843 0.000 0.831 479 V CB 0.849 32.379 31.823 -0.488 0.000 1.000 479 V HN 0.610 nan 8.190 nan 0.000 0.433 480 W N 4.335 125.622 121.300 -0.022 0.000 2.600 480 W HA 0.595 5.255 4.660 0.000 0.000 0.325 480 W C -0.461 176.096 176.519 0.063 0.000 1.034 480 W CA -0.838 56.517 57.345 0.016 0.000 1.226 480 W CB 1.514 31.030 29.460 0.093 0.000 1.379 480 W HN 0.357 nan 8.180 nan 0.000 0.466 481 F N 4.145 124.053 119.950 -0.071 0.000 2.427 481 F HA 0.333 4.860 4.527 0.000 0.000 0.352 481 F C -0.630 175.297 175.800 0.213 0.000 1.100 481 F CA -1.902 56.036 58.000 -0.104 0.000 1.191 481 F CB 0.204 38.920 39.000 -0.473 0.000 1.128 481 F HN 0.168 nan 8.300 nan 0.000 0.533 482 F N 7.304 127.376 119.950 0.204 0.000 2.403 482 F HA 0.459 4.986 4.527 0.000 0.000 0.355 482 F C -1.025 174.833 175.800 0.097 0.000 1.119 482 F CA -0.400 57.639 58.000 0.066 0.000 1.007 482 F CB 0.262 39.261 39.000 -0.001 0.000 1.194 482 F HN 0.662 nan 8.300 nan 0.000 0.443 483 H N 2.178 120.974 119.070 -0.456 0.000 2.990 483 H HA 0.434 4.990 4.556 0.000 0.000 0.336 483 H C -1.413 173.904 175.328 -0.018 0.000 1.306 483 H CA -1.445 54.456 56.048 -0.245 0.000 1.118 483 H CB 0.691 30.074 29.762 -0.632 0.000 1.856 483 H HN 0.675 nan 8.280 nan 0.000 0.538 484 C N 1.806 121.155 119.300 0.083 0.000 2.637 484 C HA 0.115 4.575 4.460 0.000 0.000 0.418 484 C C 1.333 176.433 174.990 0.183 0.000 1.319 484 C CA -0.058 58.854 59.018 -0.177 0.000 1.949 484 C CB -0.752 26.837 27.740 -0.251 0.000 2.639 484 C HN 1.000 nan 8.230 nan 0.000 0.594 485 H N 3.808 122.931 119.070 0.089 0.000 2.539 485 H HA 0.281 4.837 4.556 0.000 0.000 0.269 485 H C 0.520 175.916 175.328 0.113 0.000 0.980 485 H CA 0.375 56.547 56.048 0.207 0.000 1.152 485 H CB 0.094 29.976 29.762 0.200 0.000 1.407 485 H HN 0.641 nan 8.280 nan 0.000 0.564 486 I N 2.193 122.847 120.570 0.139 0.000 2.494 486 I HA -0.083 4.087 4.170 0.000 0.000 0.289 486 I C 1.498 177.500 176.117 -0.191 0.000 1.106 486 I CA -0.070 61.209 61.300 -0.036 0.000 1.369 486 I CB 0.969 38.845 38.000 -0.206 0.000 1.410 486 I HN 0.062 nan 8.210 nan 0.000 0.523 487 E N 4.948 124.922 120.200 -0.377 0.000 2.114 487 E HA -0.241 4.110 4.350 0.000 0.000 0.199 487 E C 1.799 178.085 176.600 -0.523 0.000 1.008 487 E CA 1.966 58.026 56.400 -0.567 0.000 0.810 487 E CB -0.068 29.070 29.700 -0.936 0.000 0.739 487 E HN 0.725 nan 8.360 nan 0.000 0.456 488 W N 0.180 121.251 121.300 -0.381 0.000 2.338 488 W HA -0.158 4.502 4.660 0.000 0.000 0.304 488 W C 2.357 178.919 176.519 0.071 0.000 1.212 488 W CA 1.110 58.218 57.345 -0.395 0.000 1.264 488 W CB -0.671 28.236 29.460 -0.921 0.000 1.142 488 W HN 0.334 nan 8.180 nan 0.000 0.512 489 H N -0.840 118.334 119.070 0.173 0.000 2.436 489 H HA -0.084 4.472 4.556 0.000 0.000 0.294 489 H C 2.084 177.476 175.328 0.107 0.000 1.048 489 H CA 0.781 56.930 56.048 0.169 0.000 1.353 489 H CB -0.133 29.714 29.762 0.141 0.000 1.414 489 H HN 0.021 nan 8.280 nan 0.000 0.536 490 L N 0.929 122.247 121.223 0.158 0.000 2.093 490 L HA -0.123 4.217 4.340 0.000 0.000 0.208 490 L C 1.924 178.878 176.870 0.139 0.000 1.085 490 L CA 1.301 56.187 54.840 0.077 0.000 0.755 490 L CB -0.509 41.512 42.059 -0.063 0.000 0.904 490 L HN 0.230 nan 8.230 nan 0.000 0.435 491 L N -0.968 120.351 121.223 0.159 0.000 2.083 491 L HA -0.227 4.113 4.340 0.000 0.000 0.209 491 L C 2.422 179.434 176.870 0.238 0.000 1.083 491 L CA 1.255 56.225 54.840 0.217 0.000 0.752 491 L CB -0.386 41.853 42.059 0.300 0.000 0.899 491 L HN 0.377 nan 8.230 nan 0.000 0.433 492 Q N -0.406 119.549 119.800 0.260 0.000 2.482 492 Q HA 0.021 4.361 4.340 0.000 0.000 0.209 492 Q C 1.125 177.230 176.000 0.174 0.000 0.961 492 Q CA 0.582 56.486 55.803 0.168 0.000 0.945 492 Q CB 0.246 29.073 28.738 0.149 0.000 1.012 492 Q HN 0.607 nan 8.270 nan 0.000 0.515 493 G N 1.016 109.927 108.800 0.185 0.000 2.142 493 G HA2 -0.243 3.717 3.960 0.000 0.000 0.225 493 G HA3 -0.243 3.717 3.960 0.000 0.000 0.225 493 G C -0.094 174.888 174.900 0.136 0.000 1.015 493 G CA -0.391 44.829 45.100 0.200 0.000 0.716 493 G HN 0.363 nan 8.290 nan 0.000 0.508 494 L N 1.207 122.460 121.223 0.051 0.000 2.391 494 L HA 0.512 4.852 4.340 0.000 0.000 0.249 494 L C 0.914 177.791 176.870 0.012 0.000 1.308 494 L CA 0.702 55.457 54.840 -0.142 0.000 1.209 494 L CB -0.488 41.484 42.059 -0.145 0.000 1.401 494 L HN 0.406 nan 8.230 nan 0.000 0.416 495 G N 2.821 111.804 108.800 0.304 0.000 2.720 495 G HA2 0.584 4.544 3.960 0.000 0.000 0.295 495 G HA3 0.584 4.544 3.960 0.000 0.000 0.295 495 G C -1.692 173.640 174.900 0.720 0.000 1.437 495 G CA -0.555 44.795 45.100 0.417 0.000 0.886 495 G HN 0.252 nan 8.290 nan 0.000 0.509 496 L N -1.239 120.320 121.223 0.560 0.000 2.415 496 L HA 0.939 5.279 4.340 0.000 0.000 0.256 496 L C -0.908 176.236 176.870 0.458 0.000 1.010 496 L CA -1.397 53.716 54.840 0.454 0.000 0.826 496 L CB 1.793 43.900 42.059 0.080 0.000 1.405 496 L HN 0.378 nan 8.230 nan 0.000 0.410 497 V N 2.317 122.432 119.914 0.334 0.000 2.417 497 V HA 0.539 4.659 4.120 0.000 0.000 0.291 497 V C -0.233 175.964 176.094 0.171 0.000 1.024 497 V CA -0.382 62.049 62.300 0.217 0.000 0.861 497 V CB 1.525 33.403 31.823 0.092 0.000 0.985 497 V HN 0.636 nan 8.190 nan 0.000 0.436 498 L N 5.317 126.639 121.223 0.164 0.000 2.296 498 L HA 0.597 4.937 4.340 0.000 0.000 0.286 498 L C -0.609 176.266 176.870 0.009 0.000 1.023 498 L CA -0.754 54.170 54.840 0.140 0.000 0.812 498 L CB 1.889 44.088 42.059 0.233 0.000 1.223 498 L HN 0.341 nan 8.230 nan 0.000 0.421 499 V N 3.008 122.870 119.914 -0.086 0.000 2.311 499 V HA 0.215 4.335 4.120 0.000 0.000 0.275 499 V C 0.150 176.196 176.094 -0.080 0.000 1.022 499 V CA -0.556 61.623 62.300 -0.201 0.000 0.830 499 V CB 1.272 32.831 31.823 -0.439 0.000 1.012 499 V HN 0.706 nan 8.190 nan 0.000 0.452 500 E N 4.369 124.563 120.200 -0.010 0.000 2.229 500 E HA 0.130 4.480 4.350 0.000 0.000 0.283 500 E C -0.015 176.605 176.600 0.033 0.000 1.030 500 E CA -0.466 55.993 56.400 0.098 0.000 0.836 500 E CB 0.590 30.474 29.700 0.308 0.000 1.068 500 E HN 0.908 nan 8.360 nan 0.000 0.401 501 D N 6.001 126.426 120.400 0.041 0.000 8.267 501 D HA -0.174 4.466 4.640 0.000 0.000 0.138 501 D C -1.625 174.667 176.300 -0.014 0.000 1.262 501 D CA -0.409 53.613 54.000 0.037 0.000 0.885 501 D CB 0.084 40.944 40.800 0.100 0.000 1.723 501 D HN 0.291 nan 8.370 nan 0.000 0.984 502 P HA -0.209 nan 4.420 nan 0.000 0.218 502 P C 1.518 178.715 177.300 -0.171 0.000 1.146 502 P CA 1.033 64.017 63.100 -0.193 0.000 0.813 502 P CB -0.157 31.375 31.700 -0.280 0.000 0.778 503 F N 0.352 120.319 119.950 0.029 0.000 2.186 503 F HA -0.010 4.517 4.527 0.000 0.000 0.299 503 F C 2.788 178.600 175.800 0.019 0.000 1.090 503 F CA 1.054 59.068 58.000 0.024 0.000 1.307 503 F CB -1.275 37.739 39.000 0.024 0.000 1.019 503 F HN -0.033 nan 8.300 nan 0.000 0.489 504 G N 0.652 109.564 108.800 0.187 0.000 2.440 504 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 504 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 504 G C 1.676 176.621 174.900 0.076 0.000 1.154 504 G CA 0.998 46.167 45.100 0.116 0.000 0.767 504 G HN 0.323 nan 8.290 nan 0.000 0.552 505 I N 0.278 120.872 120.570 0.039 0.000 2.163 505 I HA -0.258 3.912 4.170 0.000 0.000 0.243 505 I C 3.057 179.182 176.117 0.013 0.000 1.085 505 I CA 1.457 62.756 61.300 -0.002 0.000 1.347 505 I CB -0.326 37.638 38.000 -0.060 0.000 1.044 505 I HN 0.246 nan 8.210 nan 0.000 0.408 506 Q N 0.272 120.095 119.800 0.038 0.000 2.119 506 Q HA -0.202 4.138 4.340 0.000 0.000 0.201 506 Q C 1.772 177.811 176.000 0.066 0.000 0.972 506 Q CA 1.386 57.219 55.803 0.051 0.000 0.847 506 Q CB -0.103 28.693 28.738 0.096 0.000 0.903 506 Q HN 0.505 nan 8.270 nan 0.000 0.433 507 D N 0.753 121.207 120.400 0.090 0.000 2.178 507 D HA -0.021 4.619 4.640 0.000 0.000 0.202 507 D C 0.290 176.637 176.300 0.079 0.000 0.974 507 D CA 0.558 54.608 54.000 0.084 0.000 0.841 507 D CB 0.040 40.893 40.800 0.088 0.000 0.953 507 D HN 0.152 nan 8.370 nan 0.000 0.478 508 A N 1.188 124.052 122.820 0.074 0.000 2.409 508 A HA 0.010 4.330 4.320 0.000 0.000 0.267 508 A C 1.215 178.857 177.584 0.097 0.000 1.127 508 A CA -0.197 51.892 52.037 0.088 0.000 0.795 508 A CB 0.361 19.407 19.000 0.075 0.000 1.061 508 A HN 0.225 nan 8.150 nan 0.000 0.502 509 H N 3.274 122.361 119.070 0.028 0.000 2.326 509 H HA -0.139 4.417 4.556 0.000 0.000 0.301 509 H C 2.011 177.351 175.328 0.021 0.000 1.081 509 H CA 2.385 58.447 56.048 0.022 0.000 1.334 509 H CB -0.153 29.623 29.762 0.023 0.000 1.385 509 H HN 0.764 nan 8.280 nan 0.000 0.504 510 S N -0.048 115.792 115.700 0.235 0.000 2.488 510 S HA -0.172 4.298 4.470 0.000 0.000 0.246 510 S C 1.996 176.616 174.600 0.033 0.000 0.992 510 S CA 1.457 59.751 58.200 0.157 0.000 0.963 510 S CB -0.197 63.094 63.200 0.151 0.000 0.754 510 S HN 0.349 nan 8.310 nan 0.000 0.519 511 Q N 0.748 120.543 119.800 -0.008 0.000 2.354 511 Q HA 0.212 4.552 4.340 0.000 0.000 0.203 511 Q C 0.464 176.407 176.000 -0.094 0.000 0.933 511 Q CA 0.365 56.142 55.803 -0.044 0.000 0.901 511 Q CB -0.005 28.715 28.738 -0.030 0.000 1.007 511 Q HN 0.534 nan 8.270 nan 0.000 0.495 512 Q N 0.654 120.373 119.800 -0.135 0.000 2.361 512 Q HA 0.037 4.377 4.340 0.000 0.000 0.276 512 Q C -0.381 175.542 176.000 -0.127 0.000 1.022 512 Q CA 0.271 55.983 55.803 -0.151 0.000 0.898 512 Q CB 0.420 29.022 28.738 -0.227 0.000 1.246 512 Q HN 0.328 nan 8.270 nan 0.000 0.410 513 L N 1.874 123.031 121.223 -0.110 0.000 2.416 513 L HA 0.059 4.399 4.340 0.000 0.000 0.272 513 L C 1.020 177.875 176.870 -0.025 0.000 1.161 513 L CA -0.192 54.591 54.840 -0.095 0.000 0.845 513 L CB 0.298 42.302 42.059 -0.092 0.000 1.119 513 L HN 0.654 nan 8.230 nan 0.000 0.464 514 S N 1.603 117.338 115.700 0.058 0.000 2.624 514 S HA 0.152 4.622 4.470 0.000 0.000 0.263 514 S C 0.920 175.557 174.600 0.060 0.000 1.287 514 S CA -0.804 57.442 58.200 0.076 0.000 0.990 514 S CB 1.197 64.472 63.200 0.124 0.000 0.950 514 S HN 0.594 nan 8.310 nan 0.000 0.561 515 E N 1.574 121.791 120.200 0.027 0.000 2.058 515 E HA -0.228 4.122 4.350 0.000 0.000 0.194 515 E C 1.939 178.540 176.600 0.001 0.000 0.997 515 E CA 1.222 57.630 56.400 0.013 0.000 0.801 515 E CB -0.845 28.860 29.700 0.009 0.000 0.746 515 E HN 0.837 nan 8.360 nan 0.000 0.450 516 N N 0.778 119.463 118.700 -0.026 0.000 2.037 516 N HA -0.240 4.500 4.740 0.000 0.000 0.196 516 N C 1.768 177.193 175.510 -0.141 0.000 1.034 516 N CA 1.377 54.369 53.050 -0.096 0.000 0.861 516 N CB -0.178 38.206 38.487 -0.171 0.000 1.039 516 N HN 0.309 nan 8.380 nan 0.000 0.427 517 H N 0.136 119.164 119.070 -0.069 0.000 2.321 517 H HA -0.072 4.484 4.556 0.000 0.000 0.300 517 H C 2.153 177.440 175.328 -0.069 0.000 1.087 517 H CA 1.009 57.005 56.048 -0.088 0.000 1.319 517 H CB -0.133 29.569 29.762 -0.100 0.000 1.379 517 H HN 0.204 nan 8.280 nan 0.000 0.501 518 L N 1.091 122.355 121.223 0.069 0.000 2.042 518 L HA -0.155 4.185 4.340 0.000 0.000 0.210 518 L C 2.575 179.448 176.870 0.004 0.000 1.076 518 L CA 1.452 56.304 54.840 0.020 0.000 0.749 518 L CB -1.022 41.044 42.059 0.011 0.000 0.893 518 L HN 0.216 nan 8.230 nan 0.000 0.432 519 E N -0.426 119.772 120.200 -0.002 0.000 2.085 519 E HA -0.168 4.182 4.350 0.000 0.000 0.194 519 E C 2.238 178.833 176.600 -0.009 0.000 0.994 519 E CA 1.315 57.711 56.400 -0.007 0.000 0.801 519 E CB -0.222 29.470 29.700 -0.013 0.000 0.743 519 E HN 0.226 nan 8.360 nan 0.000 0.453 520 V N -0.330 119.571 119.914 -0.022 0.000 2.343 520 V HA -0.329 3.791 4.120 0.000 0.000 0.247 520 V C 2.588 178.676 176.094 -0.010 0.000 1.051 520 V CA 1.751 64.040 62.300 -0.018 0.000 1.036 520 V CB -0.555 31.243 31.823 -0.042 0.000 0.654 520 V HN 0.476 nan 8.190 nan 0.000 0.451 521 c N -0.385 118.206 118.600 -0.015 0.000 2.413 521 c HA -0.212 4.358 4.570 0.000 0.000 0.276 521 c C 2.916 177.002 174.090 -0.006 0.000 1.236 521 c CA 1.394 57.709 56.329 -0.024 0.000 1.735 521 c CB -1.028 41.463 42.510 -0.032 0.000 2.031 521 c HN 0.621 nan 8.230 nan 0.000 0.474 522 Q N -0.409 119.391 119.800 -0.000 0.000 2.124 522 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 522 Q C 2.344 178.353 176.000 0.013 0.000 0.977 522 Q CA 1.727 57.534 55.803 0.007 0.000 0.850 522 Q CB -0.357 28.384 28.738 0.006 0.000 0.901 522 Q HN 0.620 nan 8.270 nan 0.000 0.429 523 S N -0.618 115.091 115.700 0.014 0.000 2.447 523 S HA -0.111 4.359 4.470 0.000 0.000 0.233 523 S C 1.671 176.289 174.600 0.030 0.000 1.006 523 S CA 0.587 58.800 58.200 0.022 0.000 0.957 523 S CB -0.167 63.046 63.200 0.021 0.000 0.773 523 S HN 0.535 nan 8.310 nan 0.000 0.507 524 C N 2.268 121.584 119.300 0.027 0.000 2.799 524 C HA 0.347 4.807 4.460 0.000 0.000 0.267 524 C C 0.976 175.994 174.990 0.046 0.000 1.257 524 C CA 0.417 59.459 59.018 0.039 0.000 1.702 524 C CB -1.659 26.096 27.740 0.026 0.000 1.934 524 C HN 0.776 nan 8.230 nan 0.000 0.594 525 S N -0.356 115.365 115.700 0.036 0.000 3.550 525 S HA -0.154 4.317 4.470 0.000 0.000 0.372 525 S C -0.402 174.229 174.600 0.051 0.000 0.966 525 S CA 0.491 58.714 58.200 0.038 0.000 1.229 525 S CB -2.597 60.626 63.200 0.038 0.000 0.917 525 S HN 0.505 nan 8.310 nan 0.000 0.496 526 V N 0.987 120.926 119.914 0.040 0.000 2.487 526 V HA 0.813 4.933 4.120 0.000 0.000 0.298 526 V C 0.750 176.858 176.094 0.023 0.000 1.028 526 V CA -0.387 61.945 62.300 0.053 0.000 0.860 526 V CB 1.581 33.414 31.823 0.016 0.000 0.991 526 V HN 0.956 nan 8.190 nan 0.000 0.427 527 A N 3.022 125.865 122.820 0.038 0.000 2.406 527 A HA 0.521 4.841 4.320 0.000 0.000 0.243 527 A C 0.636 178.220 177.584 -0.001 0.000 1.082 527 A CA 0.252 52.299 52.037 0.017 0.000 0.786 527 A CB 0.514 19.527 19.000 0.021 0.000 1.029 527 A HN 0.924 nan 8.150 nan 0.000 0.495 528 T N 0.620 115.167 114.554 -0.012 0.000 3.390 528 T HA 0.437 4.787 4.350 0.000 0.000 0.351 528 T C 0.135 174.822 174.700 -0.023 0.000 1.759 528 T CA -0.289 61.797 62.100 -0.024 0.000 1.561 528 T CB -0.624 68.225 68.868 -0.031 0.000 1.011 528 T HN 0.745 nan 8.240 nan 0.000 0.689 529 E N 1.734 121.922 120.200 -0.020 0.000 3.770 529 E HA 0.589 4.939 4.350 0.000 0.000 0.331 529 E C 0.696 177.270 176.600 -0.044 0.000 0.714 529 E CA -0.755 55.629 56.400 -0.027 0.000 1.547 529 E CB 0.596 30.284 29.700 -0.020 0.000 2.420 529 E HN 0.397 nan 8.360 nan 0.000 0.501 530 G N 1.257 110.026 108.800 -0.052 0.000 4.613 530 G HA2 0.197 4.157 3.960 0.000 0.000 0.232 530 G HA3 0.197 4.157 3.960 0.000 0.000 0.232 530 G C -0.905 173.937 174.900 -0.096 0.000 0.947 530 G CA -0.490 44.557 45.100 -0.089 0.000 0.715 530 G HN 0.257 nan 8.290 nan 0.000 0.518 531 N N 0.329 118.989 118.700 -0.066 0.000 2.470 531 N HA -0.066 4.674 4.740 0.000 0.000 0.292 531 N C 1.259 176.743 175.510 -0.043 0.000 1.531 531 N CA 1.655 54.676 53.050 -0.048 0.000 0.780 531 N CB -0.524 37.920 38.487 -0.072 0.000 0.975 531 N HN 1.967 nan 8.380 nan 0.000 0.466 532 A N 1.650 124.455 122.820 -0.024 0.000 4.832 532 A HA -0.226 4.094 4.320 0.000 0.000 0.351 532 A C 1.082 178.652 177.584 -0.025 0.000 1.699 532 A CA 3.238 55.261 52.037 -0.023 0.000 0.731 532 A CB -2.031 16.949 19.000 -0.033 0.000 1.480 532 A HN 2.318 nan 8.150 nan 0.000 0.447 533 A N -0.242 122.558 122.820 -0.033 0.000 2.555 533 A HA 0.509 4.829 4.320 0.000 0.000 0.233 533 A C 0.940 178.506 177.584 -0.029 0.000 1.060 533 A CA 1.050 53.069 52.037 -0.030 0.000 0.759 533 A CB -0.338 18.642 19.000 -0.034 0.000 0.995 533 A HN 2.400 nan 8.150 nan 0.000 0.506 534 A N 2.883 125.690 122.820 -0.023 0.000 3.048 534 A HA 0.387 4.707 4.320 0.000 0.000 0.264 534 A C 0.704 178.274 177.584 -0.023 0.000 1.796 534 A CA -0.093 51.932 52.037 -0.020 0.000 1.445 534 A CB -1.338 17.653 19.000 -0.014 0.000 1.074 534 A HN 1.030 nan 8.150 nan 0.000 0.621 535 N N -0.259 118.422 118.700 -0.031 0.000 2.701 535 N HA -0.171 4.569 4.740 0.000 0.000 0.250 535 N C 0.868 176.361 175.510 -0.028 0.000 1.046 535 N CA 1.726 54.756 53.050 -0.033 0.000 0.733 535 N CB -1.015 37.455 38.487 -0.028 0.000 0.973 535 N HN 0.738 nan 8.380 nan 0.000 0.541 536 T N -2.367 112.170 114.554 -0.028 0.000 3.114 536 T HA 0.281 4.631 4.350 0.000 0.000 0.240 536 T C 1.157 175.843 174.700 -0.023 0.000 0.983 536 T CA 0.661 62.747 62.100 -0.023 0.000 1.151 536 T CB 0.046 68.902 68.868 -0.019 0.000 0.974 536 T HN 0.175 nan 8.240 nan 0.000 0.442 537 L N -0.099 121.107 121.223 -0.028 0.000 2.948 537 L HA 0.429 4.769 4.340 0.000 0.000 0.259 537 L C 0.172 177.019 176.870 -0.037 0.000 1.136 537 L CA 0.633 55.456 54.840 -0.028 0.000 0.959 537 L CB 0.674 42.719 42.059 -0.024 0.000 1.370 537 L HN 0.119 nan 8.230 nan 0.000 0.552 538 D N -0.475 119.896 120.400 -0.048 0.000 3.028 538 D HA -0.186 4.454 4.640 0.000 0.000 0.211 538 D C -0.376 175.882 176.300 -0.070 0.000 1.136 538 D CA 1.185 55.143 54.000 -0.069 0.000 0.987 538 D CB -0.700 40.053 40.800 -0.078 0.000 1.128 538 D HN 0.045 nan 8.370 nan 0.000 0.406 539 L N 1.015 122.207 121.223 -0.051 0.000 2.272 539 L HA 0.402 4.742 4.340 0.000 0.000 0.289 539 L C 1.370 178.215 176.870 -0.042 0.000 1.032 539 L CA -0.629 54.184 54.840 -0.045 0.000 0.810 539 L CB 0.939 42.978 42.059 -0.033 0.000 1.205 539 L HN 0.025 nan 8.230 nan 0.000 0.422 540 T N -1.585 112.942 114.554 -0.045 0.000 2.770 540 T HA 0.469 4.819 4.350 0.000 0.000 0.281 540 T C -0.186 174.491 174.700 -0.038 0.000 0.981 540 T CA -0.658 61.415 62.100 -0.045 0.000 0.955 540 T CB 1.192 70.030 68.868 -0.050 0.000 1.060 540 T HN 0.486 nan 8.240 nan 0.000 0.531 541 D N 1.354 121.731 120.400 -0.038 0.000 2.846 541 D HA 0.254 4.894 4.640 0.000 0.000 0.279 541 D C 0.371 176.646 176.300 -0.041 0.000 1.222 541 D CA -0.290 53.688 54.000 -0.036 0.000 0.769 541 D CB 0.627 41.408 40.800 -0.031 0.000 1.299 541 D HN 0.474 nan 8.370 nan 0.000 0.537 542 L N -1.023 120.171 121.223 -0.048 0.000 2.656 542 L HA 0.579 4.919 4.340 0.000 0.000 0.149 542 L C 0.841 177.670 176.870 -0.068 0.000 1.500 542 L CA 0.032 54.837 54.840 -0.058 0.000 2.484 542 L CB -0.756 41.266 42.059 -0.062 0.000 2.776 542 L HN -0.023 nan 8.230 nan 0.000 0.674 543 T N -0.335 114.166 114.554 -0.088 0.000 3.008 543 T HA 0.686 5.036 4.350 0.000 0.000 0.328 543 T C -0.285 174.341 174.700 -0.124 0.000 1.020 543 T CA -0.233 61.803 62.100 -0.107 0.000 1.043 543 T CB -0.342 68.446 68.868 -0.133 0.000 1.010 543 T HN 0.966 nan 8.240 nan 0.000 0.466 544 G N 2.673 111.408 108.800 -0.108 0.000 2.511 544 G HA2 0.614 4.574 3.960 0.000 0.000 0.316 544 G HA3 0.614 4.574 3.960 0.000 0.000 0.316 544 G C -0.253 174.565 174.900 -0.136 0.000 1.210 544 G CA -0.877 44.155 45.100 -0.113 0.000 0.969 544 G HN 0.873 nan 8.290 nan 0.000 0.492 545 E N -0.581 119.532 120.200 -0.145 0.000 2.349 545 E HA 0.127 4.477 4.350 0.000 0.000 0.262 545 E C -0.431 176.079 176.600 -0.150 0.000 1.088 545 E CA -0.559 55.723 56.400 -0.196 0.000 0.899 545 E CB 0.847 30.421 29.700 -0.210 0.000 1.044 545 E HN 0.438 nan 8.360 nan 0.000 0.420 546 N N 0.479 119.069 118.700 -0.184 0.000 2.395 546 N HA 0.048 4.788 4.740 0.000 0.000 0.246 546 N C -0.144 175.330 175.510 -0.061 0.000 1.246 546 N CA -0.179 52.810 53.050 -0.102 0.000 0.879 546 N CB 0.705 39.149 38.487 -0.071 0.000 1.098 546 N HN 0.405 nan 8.380 nan 0.000 0.444 547 V N -0.184 119.706 119.914 -0.041 0.000 3.319 547 V HA 0.103 4.223 4.120 0.000 0.000 0.303 547 V C 0.680 176.770 176.094 -0.006 0.000 1.094 547 V CA -0.642 61.644 62.300 -0.024 0.000 1.106 547 V CB 0.537 32.343 31.823 -0.029 0.000 1.099 547 V HN 0.569 nan 8.190 nan 0.000 0.476 548 Q N -0.725 119.077 119.800 0.003 0.000 2.407 548 Q HA 0.225 4.565 4.340 0.000 0.000 0.214 548 Q C 0.746 176.764 176.000 0.030 0.000 1.043 548 Q CA 0.381 56.199 55.803 0.025 0.000 0.983 548 Q CB 0.379 29.121 28.738 0.007 0.000 1.211 548 Q HN 0.835 nan 8.270 nan 0.000 0.564 549 H N -0.513 118.549 119.070 -0.014 0.000 2.548 549 H HA 0.387 4.943 4.556 0.000 0.000 0.265 549 H C -0.028 175.293 175.328 -0.013 0.000 0.969 549 H CA 0.247 56.290 56.048 -0.007 0.000 1.155 549 H CB 0.366 30.122 29.762 -0.009 0.000 1.394 549 H HN 0.577 nan 8.280 nan 0.000 0.570 550 A N 0.000 122.887 122.820 0.111 0.000 2.254 550 A HA 0.000 4.320 4.320 0.000 0.000 0.244 550 A CA 0.000 52.077 52.037 0.066 0.000 0.836 550 A CB 0.000 19.017 19.000 0.029 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486