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_B 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 0.000 176.556 176.600 -0.073 0.000 1.382 22 E CA 0.000 56.358 56.400 -0.070 0.000 0.976 22 E CB 0.000 29.652 29.700 -0.080 0.000 0.812 23 T N 3.573 118.028 114.554 -0.165 0.000 2.771 23 T HA 0.390 4.740 4.350 0.000 0.000 0.281 23 T C -0.772 173.752 174.700 -0.293 0.000 0.982 23 T CA -0.562 61.454 62.100 -0.140 0.000 0.978 23 T CB 0.532 69.334 68.868 -0.111 0.000 0.930 23 T HN 0.269 nan 8.240 nan 0.000 0.447 24 H N 2.375 121.340 119.070 -0.176 0.000 2.541 24 H HA 0.368 4.924 4.556 0.000 0.000 0.316 24 H C -0.262 174.835 175.328 -0.386 0.000 1.043 24 H CA -0.494 55.380 56.048 -0.290 0.000 1.232 24 H CB 1.148 30.818 29.762 -0.154 0.000 1.406 24 H HN 0.465 nan 8.280 nan 0.000 0.469 25 T N 4.864 119.158 114.554 -0.434 0.000 2.797 25 T HA 0.399 4.749 4.350 0.000 0.000 0.279 25 T C -0.361 174.018 174.700 -0.535 0.000 0.991 25 T CA -0.508 61.407 62.100 -0.310 0.000 0.979 25 T CB 0.540 69.344 68.868 -0.106 0.000 0.943 25 T HN 0.252 nan 8.240 nan 0.000 0.444 26 F N 2.250 122.103 119.950 -0.162 0.000 2.532 26 F HA 0.524 5.052 4.527 0.000 0.000 0.321 26 F C 0.380 176.037 175.800 -0.237 0.000 1.089 26 F CA -1.131 56.669 58.000 -0.333 0.000 0.926 26 F CB 1.681 40.086 39.000 -0.991 0.000 1.168 26 F HN 0.364 nan 8.300 nan 0.000 0.459 27 N N 2.659 121.405 118.700 0.076 0.000 2.564 27 N HA 0.287 5.027 4.740 0.000 0.000 0.248 27 N C -2.012 173.708 175.510 0.351 0.000 0.986 27 N CA -0.430 52.715 53.050 0.158 0.000 0.921 27 N CB 0.637 39.179 38.487 0.092 0.000 1.136 27 N HN 0.361 nan 8.380 nan 0.000 0.509 28 W N 2.256 123.681 121.300 0.210 0.000 2.587 28 W HA 0.453 5.114 4.660 0.000 0.000 0.324 28 W C -0.468 176.129 176.519 0.130 0.000 1.040 28 W CA -0.727 56.694 57.345 0.127 0.000 1.222 28 W CB 1.222 30.794 29.460 0.186 0.000 1.381 28 W HN 0.197 nan 8.180 nan 0.000 0.483 29 T N 1.568 116.269 114.554 0.245 0.000 2.809 29 T HA 0.313 4.663 4.350 0.000 0.000 0.284 29 T C 0.322 175.093 174.700 0.118 0.000 0.992 29 T CA -0.513 61.698 62.100 0.183 0.000 0.957 29 T CB 1.304 70.248 68.868 0.126 0.000 0.942 29 T HN 0.324 nan 8.240 nan 0.000 0.439 30 T N 1.190 115.870 114.554 0.209 0.000 2.926 30 T HA 0.617 4.967 4.350 0.000 0.000 0.307 30 T C 0.585 175.318 174.700 0.055 0.000 1.059 30 T CA -0.418 61.794 62.100 0.188 0.000 1.122 30 T CB 0.978 69.966 68.868 0.199 0.000 0.972 30 T HN 0.857 nan 8.240 nan 0.000 0.545 31 G N 0.546 109.320 108.800 -0.043 0.000 2.600 31 G HA2 0.520 4.480 3.960 0.000 0.000 0.293 31 G HA3 0.520 4.480 3.960 0.000 0.000 0.293 31 G C -2.305 172.475 174.900 -0.200 0.000 1.408 31 G CA -1.323 43.747 45.100 -0.051 0.000 0.782 31 G HN 0.747 nan 8.290 nan 0.000 0.482 32 W N 0.247 121.583 121.300 0.060 0.000 2.656 32 W HA 0.682 5.342 4.660 0.000 0.000 0.327 32 W C -0.678 175.832 176.519 -0.014 0.000 1.041 32 W CA -0.321 57.030 57.345 0.009 0.000 1.229 32 W CB 2.530 31.978 29.460 -0.020 0.000 1.397 32 W HN 0.317 nan 8.180 nan 0.000 0.479 33 D N 0.965 121.477 120.400 0.186 0.000 2.661 33 D HA 0.167 4.807 4.640 0.000 0.000 0.228 33 D C -1.420 174.889 176.300 0.014 0.000 1.210 33 D CA -0.828 53.241 54.000 0.115 0.000 0.826 33 D CB 2.219 43.075 40.800 0.095 0.000 1.542 33 D HN 0.153 nan 8.370 nan 0.000 0.447 34 Y N 1.305 121.646 120.300 0.069 0.000 2.377 34 Y HA 0.244 4.794 4.550 0.000 0.000 0.330 34 Y C 0.977 176.875 175.900 -0.004 0.000 1.108 34 Y CA 0.260 58.383 58.100 0.038 0.000 1.308 34 Y CB 0.650 39.129 38.460 0.032 0.000 1.216 34 Y HN -0.050 nan 8.280 nan 0.000 0.518 35 R N 1.624 122.172 120.500 0.080 0.000 2.808 35 R HA 0.267 4.607 4.340 0.000 0.000 0.272 35 R C -1.161 175.176 176.300 0.062 0.000 0.995 35 R CA -1.217 54.896 56.100 0.021 0.000 0.917 35 R CB 1.484 31.685 30.300 -0.164 0.000 1.217 35 R HN 0.520 nan 8.270 nan 0.000 0.471 36 N N 1.617 120.343 118.700 0.043 0.000 2.936 36 N HA 0.105 4.845 4.740 0.000 0.000 0.243 36 N C 0.595 176.093 175.510 -0.020 0.000 1.149 36 N CA -0.037 53.037 53.050 0.041 0.000 0.914 36 N CB 0.654 39.164 38.487 0.038 0.000 1.179 36 N HN 0.262 nan 8.380 nan 0.000 0.502 37 V N 1.521 121.376 119.914 -0.098 0.000 2.270 37 V HA -0.183 3.937 4.120 0.000 0.000 0.245 37 V C 1.904 177.827 176.094 -0.284 0.000 1.043 37 V CA 1.433 63.540 62.300 -0.321 0.000 1.014 37 V CB -0.369 30.871 31.823 -0.972 0.000 0.645 37 V HN 0.488 nan 8.190 nan 0.000 0.447 38 D N -0.109 120.166 120.400 -0.208 0.000 2.116 38 D HA -0.126 4.514 4.640 0.000 0.000 0.193 38 D C 1.860 178.172 176.300 0.019 0.000 0.998 38 D CA 2.136 56.138 54.000 0.002 0.000 0.836 38 D CB -0.262 40.697 40.800 0.265 0.000 0.951 38 D HN 0.579 nan 8.370 nan 0.000 0.449 39 G N -0.593 108.220 108.800 0.022 0.000 2.201 39 G HA2 -0.222 3.738 3.960 0.000 0.000 0.212 39 G HA3 -0.222 3.738 3.960 0.000 0.000 0.212 39 G C 0.859 175.791 174.900 0.054 0.000 0.994 39 G CA 0.471 45.590 45.100 0.031 0.000 0.644 39 G HN 0.461 nan 8.290 nan 0.000 0.508 40 L N -2.838 118.431 121.223 0.077 0.000 3.410 40 L HA 0.731 5.071 4.340 0.000 0.000 0.309 40 L C -0.033 176.836 176.870 -0.002 0.000 1.254 40 L CA -0.356 54.531 54.840 0.079 0.000 1.048 40 L CB 0.658 42.806 42.059 0.149 0.000 1.442 40 L HN 0.065 nan 8.230 nan 0.000 0.615 41 K N 0.937 121.288 120.400 -0.083 0.000 2.616 41 K HA 0.323 4.643 4.320 0.000 0.000 0.255 41 K C -1.112 175.486 176.600 -0.004 0.000 0.995 41 K CA -0.162 56.045 56.287 -0.134 0.000 0.860 41 K CB 2.316 34.535 32.500 -0.468 0.000 1.264 41 K HN 0.029 nan 8.250 nan 0.000 0.451 42 S N 3.108 118.839 115.700 0.052 0.000 2.510 42 S HA 0.251 4.721 4.470 0.000 0.000 0.279 42 S C -0.640 174.121 174.600 0.268 0.000 1.284 42 S CA -0.081 58.208 58.200 0.148 0.000 1.059 42 S CB 0.292 63.553 63.200 0.102 0.000 0.901 42 S HN 0.592 nan 8.310 nan 0.000 0.491 43 R N 4.585 125.276 120.500 0.319 0.000 2.594 43 R HA 0.345 4.685 4.340 0.000 0.000 0.265 43 R C -3.466 172.774 176.300 -0.100 0.000 1.070 43 R CA -1.834 54.357 56.100 0.153 0.000 0.909 43 R CB 1.500 31.872 30.300 0.121 0.000 1.243 43 R HN 0.330 nan 8.270 nan 0.000 0.455 44 P HA 0.086 nan 4.420 nan 0.000 0.271 44 P C -0.502 176.862 177.300 0.107 0.000 1.220 44 P CA -0.291 62.577 63.100 -0.386 0.000 0.768 44 P CB 0.979 32.382 31.700 -0.496 0.000 0.848 45 V N 1.444 121.431 119.914 0.122 0.000 3.074 45 V HA 0.545 4.665 4.120 0.000 0.000 0.314 45 V C -0.246 175.839 176.094 -0.014 0.000 1.117 45 V CA -1.245 61.105 62.300 0.084 0.000 1.014 45 V CB 1.871 33.476 31.823 -0.363 0.000 1.057 45 V HN 0.249 nan 8.190 nan 0.000 0.438 46 I N 3.430 123.914 120.570 -0.143 0.000 2.379 46 I HA 0.337 4.508 4.170 0.000 0.000 0.290 46 I C 0.898 177.189 176.117 0.290 0.000 1.063 46 I CA 0.200 61.349 61.300 -0.252 0.000 1.351 46 I CB 1.126 38.947 38.000 -0.298 0.000 1.410 46 I HN 0.974 nan 8.210 nan 0.000 0.505 47 T N 2.532 117.148 114.554 0.105 0.000 2.927 47 T HA 0.349 4.699 4.350 0.000 0.000 0.281 47 T C -0.359 174.144 174.700 -0.329 0.000 0.998 47 T CA -0.789 61.327 62.100 0.027 0.000 1.019 47 T CB 1.848 70.702 68.868 -0.024 0.000 1.061 47 T HN 0.642 nan 8.240 nan 0.000 0.518 48 C N 3.395 122.151 119.300 -0.907 0.000 2.293 48 C HA 0.549 5.009 4.460 0.000 0.000 0.323 48 C C 0.310 174.958 174.990 -0.569 0.000 1.240 48 C CA -0.434 57.832 59.018 -1.255 0.000 1.497 48 C CB -1.748 24.587 27.740 -2.343 0.000 2.171 48 C HN 0.988 nan 8.230 nan 0.000 0.465 49 N N 3.830 122.361 118.700 -0.282 0.000 2.721 49 N HA -0.186 4.554 4.740 0.000 0.000 0.249 49 N C 0.971 176.424 175.510 -0.095 0.000 1.072 49 N CA 2.054 55.037 53.050 -0.112 0.000 0.710 49 N CB -1.424 37.026 38.487 -0.061 0.000 0.993 49 N HN 1.802 nan 8.380 nan 0.000 0.547 50 G N -2.009 106.734 108.800 -0.094 0.000 2.184 50 G HA2 -0.336 3.624 3.960 0.000 0.000 0.264 50 G HA3 -0.336 3.624 3.960 0.000 0.000 0.264 50 G C -0.189 174.685 174.900 -0.043 0.000 0.975 50 G CA 0.661 45.737 45.100 -0.040 0.000 0.642 50 G HN 0.481 nan 8.290 nan 0.000 0.536 51 Q N -0.858 118.870 119.800 -0.121 0.000 2.266 51 Q HA 0.788 5.128 4.340 0.000 0.000 0.261 51 Q C -1.087 174.881 176.000 -0.053 0.000 0.985 51 Q CA -0.684 55.060 55.803 -0.097 0.000 0.873 51 Q CB 2.277 30.913 28.738 -0.171 0.000 1.306 51 Q HN 0.422 nan 8.270 nan 0.000 0.447 52 F N 2.576 122.445 119.950 -0.135 0.000 2.596 52 F HA 0.483 5.010 4.527 0.000 0.000 0.311 52 F C -2.306 173.453 175.800 -0.069 0.000 1.116 52 F CA -1.696 56.251 58.000 -0.089 0.000 0.957 52 F CB 1.459 40.446 39.000 -0.021 0.000 1.250 52 F HN 0.396 nan 8.300 nan 0.000 0.444 53 P HA 0.203 nan 4.420 nan 0.000 0.277 53 P C -1.076 175.933 177.300 -0.485 0.000 1.271 53 P CA -0.262 62.138 63.100 -1.167 0.000 0.795 53 P CB 0.681 31.826 31.700 -0.923 0.000 1.101 54 W N 1.270 122.251 121.300 -0.530 0.000 2.209 54 W HA 0.136 4.796 4.660 0.000 0.000 0.344 54 W C -1.408 174.914 176.519 -0.328 0.000 1.285 54 W CA -0.681 56.441 57.345 -0.372 0.000 1.267 54 W CB -1.184 28.099 29.460 -0.295 0.000 1.167 54 W HN 0.332 nan 8.180 nan 0.000 0.574 55 P HA 0.004 nan 4.420 nan 0.000 0.271 55 P C -0.655 176.681 177.300 0.060 0.000 1.233 55 P CA 0.117 63.156 63.100 -0.101 0.000 0.789 55 P CB 0.854 32.456 31.700 -0.165 0.000 0.951 56 D N 1.057 121.493 120.400 0.061 0.000 2.192 56 D HA 0.412 5.052 4.640 0.000 0.000 0.246 56 D C 0.264 176.615 176.300 0.084 0.000 1.042 56 D CA -0.217 53.848 54.000 0.108 0.000 0.847 56 D CB 1.548 42.362 40.800 0.022 0.000 1.186 56 D HN 0.245 nan 8.370 nan 0.000 0.461 57 I N 0.950 121.545 120.570 0.043 0.000 2.359 57 I HA 0.228 4.398 4.170 0.000 0.000 0.294 57 I C 0.143 176.089 176.117 -0.285 0.000 0.987 57 I CA -0.310 60.888 61.300 -0.170 0.000 1.225 57 I CB 1.493 39.227 38.000 -0.442 0.000 1.366 57 I HN 0.036 nan 8.210 nan 0.000 0.466 58 T N 5.894 120.317 114.554 -0.218 0.000 2.840 58 T HA 0.576 4.926 4.350 0.000 0.000 0.287 58 T C -0.272 174.253 174.700 -0.291 0.000 0.991 58 T CA -0.582 61.390 62.100 -0.214 0.000 0.964 58 T CB 1.575 70.393 68.868 -0.084 0.000 0.954 58 T HN 0.457 nan 8.240 nan 0.000 0.438 59 V N 1.061 120.782 119.914 -0.321 0.000 3.141 59 V HA 0.777 4.897 4.120 0.000 0.000 0.312 59 V C -0.796 175.240 176.094 -0.097 0.000 1.157 59 V CA -1.256 60.857 62.300 -0.311 0.000 1.041 59 V CB 2.157 33.730 31.823 -0.417 0.000 1.071 59 V HN 0.601 nan 8.190 nan 0.000 0.441 60 N N 0.773 119.458 118.700 -0.024 0.000 2.492 60 N HA 0.393 5.133 4.740 0.000 0.000 0.289 60 N C -0.506 175.016 175.510 0.020 0.000 1.133 60 N CA -0.652 52.407 53.050 0.015 0.000 0.961 60 N CB 1.304 39.812 38.487 0.035 0.000 1.186 60 N HN 0.901 nan 8.380 nan 0.000 0.493 61 K N 0.380 120.793 120.400 0.022 0.000 2.511 61 K HA 0.063 4.383 4.320 0.000 0.000 0.277 61 K C 0.962 177.560 176.600 -0.004 0.000 1.025 61 K CA 1.313 57.606 56.287 0.010 0.000 1.112 61 K CB -0.621 31.884 32.500 0.008 0.000 0.859 61 K HN 0.727 nan 8.250 nan 0.000 0.485 62 G N 2.747 111.537 108.800 -0.016 0.000 2.159 62 G HA2 -0.248 3.712 3.960 0.000 0.000 0.256 62 G HA3 -0.248 3.712 3.960 0.000 0.000 0.256 62 G C -0.269 174.630 174.900 -0.002 0.000 0.977 62 G CA 0.194 45.279 45.100 -0.025 0.000 0.652 62 G HN 0.717 nan 8.290 nan 0.000 0.531 63 D N -0.256 120.155 120.400 0.019 0.000 2.357 63 D HA 0.448 5.088 4.640 0.000 0.000 0.242 63 D C 0.884 177.189 176.300 0.009 0.000 1.153 63 D CA -0.118 53.907 54.000 0.042 0.000 0.918 63 D CB 0.595 41.451 40.800 0.094 0.000 1.181 63 D HN 0.439 nan 8.370 nan 0.000 0.435 64 R N 0.643 121.144 120.500 0.002 0.000 2.346 64 R HA 0.481 4.821 4.340 0.000 0.000 0.311 64 R C -1.431 174.791 176.300 -0.130 0.000 0.983 64 R CA -0.611 55.437 56.100 -0.087 0.000 0.880 64 R CB 0.743 30.997 30.300 -0.078 0.000 1.100 64 R HN 0.133 nan 8.270 nan 0.000 0.453 65 V N 5.059 124.736 119.914 -0.395 0.000 2.384 65 V HA 0.278 4.398 4.120 0.000 0.000 0.287 65 V C -0.566 175.218 176.094 -0.516 0.000 1.020 65 V CA -0.638 61.395 62.300 -0.445 0.000 0.850 65 V CB 1.570 32.988 31.823 -0.676 0.000 0.987 65 V HN 0.805 nan 8.190 nan 0.000 0.436 66 Q N 4.881 124.539 119.800 -0.237 0.000 2.413 66 Q HA 0.575 4.915 4.340 0.000 0.000 0.258 66 Q C -1.073 174.845 176.000 -0.138 0.000 1.037 66 Q CA -0.236 55.434 55.803 -0.222 0.000 0.764 66 Q CB 2.250 30.873 28.738 -0.191 0.000 1.217 66 Q HN 0.683 nan 8.270 nan 0.000 0.490 67 I N 2.554 123.053 120.570 -0.119 0.000 2.312 67 I HA 0.202 4.372 4.170 0.000 0.000 0.290 67 I C -0.833 175.253 176.117 -0.053 0.000 1.008 67 I CA -0.625 60.623 61.300 -0.087 0.000 1.226 67 I CB 0.663 38.624 38.000 -0.065 0.000 1.371 67 I HN 0.505 nan 8.210 nan 0.000 0.468 68 Y N 7.033 127.338 120.300 0.009 0.000 2.600 68 Y HA 0.322 4.872 4.550 0.000 0.000 0.351 68 Y C 0.085 176.066 175.900 0.135 0.000 1.042 68 Y CA -0.174 57.963 58.100 0.062 0.000 1.333 68 Y CB 0.551 39.028 38.460 0.028 0.000 1.172 68 Y HN 0.414 nan 8.280 nan 0.000 0.517 69 L N 3.892 125.305 121.223 0.317 0.000 2.265 69 L HA 0.433 4.773 4.340 0.000 0.000 0.288 69 L C -0.395 176.644 176.870 0.280 0.000 1.058 69 L CA -0.122 54.939 54.840 0.369 0.000 0.809 69 L CB 0.817 43.144 42.059 0.447 0.000 1.179 69 L HN 0.511 nan 8.230 nan 0.000 0.429 70 T N 2.921 117.639 114.554 0.274 0.000 2.792 70 T HA 0.205 4.556 4.350 0.000 0.000 0.280 70 T C -0.121 174.695 174.700 0.192 0.000 0.990 70 T CA -0.547 61.673 62.100 0.199 0.000 0.960 70 T CB 0.999 69.966 68.868 0.165 0.000 0.939 70 T HN 0.400 nan 8.240 nan 0.000 0.439 71 N N 2.224 121.018 118.700 0.156 0.000 2.399 71 N HA 0.223 4.963 4.740 0.000 0.000 0.259 71 N C 0.926 176.513 175.510 0.129 0.000 1.160 71 N CA -0.279 52.858 53.050 0.145 0.000 0.946 71 N CB 0.713 39.275 38.487 0.125 0.000 1.156 71 N HN 0.870 nan 8.380 nan 0.000 0.489 72 G N 2.954 111.833 108.800 0.131 0.000 3.393 72 G HA2 0.138 4.098 3.960 0.000 0.000 0.255 72 G HA3 0.138 4.098 3.960 0.000 0.000 0.255 72 G C 0.432 175.416 174.900 0.140 0.000 1.097 72 G CA -0.254 44.918 45.100 0.120 0.000 0.780 72 G HN 0.465 nan 8.290 nan 0.000 0.540 73 M N 0.174 119.868 119.600 0.158 0.000 2.274 73 M HA 0.243 4.723 4.480 0.000 0.000 0.344 73 M C 1.205 177.634 176.300 0.214 0.000 1.161 73 M CA -0.396 55.049 55.300 0.241 0.000 1.126 73 M CB 1.438 34.203 32.600 0.274 0.000 1.522 73 M HN -0.031 nan 8.290 nan 0.000 0.461 74 N N 0.905 119.741 118.700 0.226 0.000 2.457 74 N HA -0.069 4.671 4.740 0.000 0.000 0.180 74 N C 0.316 175.899 175.510 0.122 0.000 1.050 74 N CA 0.892 54.029 53.050 0.146 0.000 0.906 74 N CB 0.230 38.788 38.487 0.118 0.000 0.968 74 N HN 0.710 nan 8.380 nan 0.000 0.445 75 N N -3.251 115.534 118.700 0.142 0.000 1.900 75 N HA 0.020 4.760 4.740 0.000 0.000 0.227 75 N C -0.792 174.793 175.510 0.125 0.000 1.411 75 N CA -0.066 53.050 53.050 0.110 0.000 0.780 75 N CB -0.003 38.531 38.487 0.078 0.000 1.082 75 N HN -0.158 nan 8.380 nan 0.000 0.505 76 T N -0.087 114.568 114.554 0.167 0.000 2.927 76 T HA 0.467 4.817 4.350 0.000 0.000 0.281 76 T C -0.064 174.720 174.700 0.140 0.000 0.998 76 T CA -0.647 61.551 62.100 0.164 0.000 1.019 76 T CB 1.307 70.305 68.868 0.217 0.000 1.061 76 T HN -0.053 nan 8.240 nan 0.000 0.518 77 N N 0.866 119.642 118.700 0.127 0.000 2.434 77 N HA 0.597 5.337 4.740 0.000 0.000 0.266 77 N C -0.045 175.535 175.510 0.116 0.000 1.223 77 N CA -0.321 52.796 53.050 0.112 0.000 0.972 77 N CB 0.981 39.531 38.487 0.106 0.000 1.207 77 N HN 0.769 nan 8.380 nan 0.000 0.525 78 T N -1.791 112.827 114.554 0.106 0.000 2.838 78 T HA 0.808 5.158 4.350 0.000 0.000 0.292 78 T C -0.570 174.197 174.700 0.111 0.000 1.113 78 T CA -0.811 61.355 62.100 0.110 0.000 1.008 78 T CB 1.371 70.312 68.868 0.122 0.000 1.259 78 T HN 0.562 nan 8.240 nan 0.000 0.520 79 S N -0.213 115.559 115.700 0.121 0.000 2.611 79 S HA 0.756 5.226 4.470 0.000 0.000 0.268 79 S C -1.357 173.287 174.600 0.074 0.000 1.156 79 S CA -1.071 57.220 58.200 0.151 0.000 0.817 79 S CB 1.709 64.990 63.200 0.135 0.000 1.122 79 S HN 1.023 nan 8.310 nan 0.000 0.466 80 M N 2.032 121.615 119.600 -0.029 0.000 2.267 80 M HA 0.574 5.054 4.480 0.000 0.000 0.289 80 M C -1.928 174.023 176.300 -0.581 0.000 1.043 80 M CA -0.193 54.876 55.300 -0.385 0.000 0.928 80 M CB 1.796 34.058 32.600 -0.563 0.000 1.613 80 M HN 1.067 nan 8.290 nan 0.000 0.450 81 H N 3.682 122.348 119.070 -0.674 0.000 2.495 81 H HA 0.588 5.144 4.556 0.000 0.000 0.348 81 H C -2.055 172.722 175.328 -0.918 0.000 1.113 81 H CA -0.531 55.168 56.048 -0.582 0.000 1.195 81 H CB 1.042 30.698 29.762 -0.176 0.000 1.521 81 H HN 0.590 nan 8.280 nan 0.000 0.509 82 F N 3.956 123.263 119.950 -1.072 0.000 2.313 82 F HA 0.174 4.702 4.527 0.000 0.000 0.369 82 F C 0.302 175.405 175.800 -1.162 0.000 1.109 82 F CA -0.720 56.693 58.000 -0.978 0.000 1.132 82 F CB 0.109 38.562 39.000 -0.911 0.000 1.291 82 F HN 0.648 nan 8.300 nan 0.000 0.496 83 H N 2.028 120.495 119.070 -1.005 0.000 3.026 83 H HA 0.413 4.969 4.556 0.000 0.000 0.289 83 H C 1.154 176.369 175.328 -0.187 0.000 1.022 83 H CA 1.199 56.851 56.048 -0.659 0.000 1.477 83 H CB 0.363 29.637 29.762 -0.812 0.000 1.510 83 H HN 0.888 nan 8.280 nan 0.000 0.535 84 G N 3.716 112.487 108.800 -0.049 0.000 2.259 84 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 84 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 84 G C -0.398 174.427 174.900 -0.125 0.000 1.001 84 G CA -0.074 45.151 45.100 0.208 0.000 0.627 84 G HN 0.567 nan 8.290 nan 0.000 0.501 85 L N 1.421 122.395 121.223 -0.414 0.000 2.453 85 L HA 0.539 4.879 4.340 0.000 0.000 0.272 85 L C 1.533 178.262 176.870 -0.234 0.000 1.182 85 L CA 0.013 54.500 54.840 -0.587 0.000 0.858 85 L CB -0.053 41.579 42.059 -0.712 0.000 1.120 85 L HN 0.062 nan 8.230 nan 0.000 0.474 86 F N 0.424 120.204 119.950 -0.283 0.000 2.615 86 F HA 0.023 4.550 4.527 0.000 0.000 0.297 86 F C 1.225 176.892 175.800 -0.221 0.000 1.124 86 F CA -0.157 57.642 58.000 -0.335 0.000 1.451 86 F CB -0.521 38.277 39.000 -0.337 0.000 1.103 86 F HN 0.501 nan 8.300 nan 0.000 0.569 87 Q N 0.484 120.310 119.800 0.042 0.000 2.435 87 Q HA -0.278 4.062 4.340 0.000 0.000 0.286 87 Q C -0.190 175.921 176.000 0.186 0.000 1.229 87 Q CA 0.386 56.247 55.803 0.096 0.000 0.884 87 Q CB -2.408 26.433 28.738 0.171 0.000 1.245 87 Q HN 0.386 nan 8.270 nan 0.000 0.488 88 N N 0.518 119.286 118.700 0.113 0.000 2.429 88 N HA 0.158 4.899 4.740 0.000 0.000 0.271 88 N C 1.305 176.874 175.510 0.097 0.000 1.272 88 N CA 1.871 54.935 53.050 0.024 0.000 0.921 88 N CB 0.228 38.529 38.487 -0.310 0.000 1.128 88 N HN 0.544 nan 8.380 nan 0.000 0.481 89 G N 2.410 111.268 108.800 0.097 0.000 2.176 89 G HA2 -0.259 3.702 3.960 0.000 0.000 0.253 89 G HA3 -0.259 3.702 3.960 0.000 0.000 0.253 89 G C 0.287 175.228 174.900 0.068 0.000 0.979 89 G CA 0.732 45.884 45.100 0.085 0.000 0.641 89 G HN 0.821 nan 8.290 nan 0.000 0.530 90 T N -3.252 111.350 114.554 0.080 0.000 3.741 90 T HA 0.725 5.075 4.350 0.000 0.000 0.242 90 T C 1.507 176.228 174.700 0.035 0.000 1.042 90 T CA 0.875 63.004 62.100 0.048 0.000 1.278 90 T CB 0.771 69.688 68.868 0.082 0.000 0.994 90 T HN 1.363 nan 8.240 nan 0.000 0.594 91 A N 2.055 124.866 122.820 -0.014 0.000 1.986 91 A HA -0.073 4.247 4.320 0.000 0.000 0.220 91 A C 2.535 180.073 177.584 -0.077 0.000 1.171 91 A CA 1.977 53.946 52.037 -0.113 0.000 0.640 91 A CB -1.044 17.764 19.000 -0.321 0.000 0.811 91 A HN 1.013 nan 8.150 nan 0.000 0.451 92 S N -1.055 114.606 115.700 -0.065 0.000 2.493 92 S HA -0.088 4.382 4.470 0.000 0.000 0.243 92 S C 1.426 176.107 174.600 0.136 0.000 0.991 92 S CA 1.478 59.661 58.200 -0.028 0.000 0.957 92 S CB -0.394 62.701 63.200 -0.175 0.000 0.756 92 S HN 0.423 nan 8.310 nan 0.000 0.521 93 M N 0.926 120.614 119.600 0.147 0.000 2.371 93 M HA 0.264 4.744 4.480 0.000 0.000 0.246 93 M C 1.103 177.585 176.300 0.304 0.000 1.103 93 M CA 0.285 55.773 55.300 0.313 0.000 1.010 93 M CB -0.640 32.100 32.600 0.234 0.000 1.457 93 M HN 0.282 nan 8.290 nan 0.000 0.486 94 D N 1.162 121.702 120.400 0.234 0.000 2.269 94 D HA 0.010 4.650 4.640 0.000 0.000 0.208 94 D C 1.353 177.879 176.300 0.377 0.000 0.963 94 D CA 1.559 55.745 54.000 0.309 0.000 0.864 94 D CB 0.221 41.218 40.800 0.329 0.000 0.936 94 D HN 0.543 nan 8.370 nan 0.000 0.505 95 G N -0.193 108.791 108.800 0.307 0.000 2.182 95 G HA2 -0.218 3.742 3.960 0.000 0.000 0.248 95 G HA3 -0.218 3.742 3.960 0.000 0.000 0.248 95 G C -0.046 174.887 174.900 0.056 0.000 1.042 95 G CA 0.311 45.567 45.100 0.261 0.000 0.775 95 G HN 0.298 nan 8.290 nan 0.000 0.501 96 V N 2.267 122.113 119.914 -0.113 0.000 2.328 96 V HA 0.408 4.528 4.120 0.000 0.000 0.278 96 V C -1.450 174.481 176.094 -0.272 0.000 1.021 96 V CA -1.800 60.270 62.300 -0.382 0.000 0.838 96 V CB 1.611 33.020 31.823 -0.690 0.000 0.999 96 V HN 0.224 nan 8.190 nan 0.000 0.447 97 P HA 0.080 nan 4.420 nan 0.000 0.264 97 P C 0.344 177.572 177.300 -0.119 0.000 1.183 97 P CA 0.493 63.472 63.100 -0.201 0.000 0.763 97 P CB 0.146 31.812 31.700 -0.057 0.000 0.807 98 F N -0.644 119.246 119.950 -0.100 0.000 2.825 98 F HA -0.270 4.257 4.527 0.000 0.000 0.358 98 F C 1.305 177.023 175.800 -0.137 0.000 0.639 98 F CA 0.516 58.469 58.000 -0.078 0.000 1.153 98 F CB -1.707 37.287 39.000 -0.010 0.000 1.610 98 F HN 0.269 nan 8.300 nan 0.000 0.305 99 L N -2.673 118.454 121.223 -0.160 0.000 2.515 99 L HA 0.138 4.478 4.340 0.000 0.000 0.202 99 L C 1.855 178.604 176.870 -0.202 0.000 1.056 99 L CA 1.475 56.175 54.840 -0.234 0.000 0.847 99 L CB -0.375 41.416 42.059 -0.447 0.000 1.131 99 L HN 0.110 nan 8.230 nan 0.000 0.484 100 T N -0.844 113.590 114.554 -0.200 0.000 2.959 100 T HA 0.155 4.505 4.350 0.000 0.000 0.254 100 T C 0.030 174.686 174.700 -0.073 0.000 1.003 100 T CA -0.010 62.005 62.100 -0.142 0.000 0.950 100 T CB 0.658 69.457 68.868 -0.116 0.000 1.090 100 T HN 0.407 nan 8.240 nan 0.000 0.503 101 Q N -0.211 119.516 119.800 -0.122 0.000 2.687 101 Q HA 0.549 4.889 4.340 0.000 0.000 0.295 101 Q C -0.965 174.862 176.000 -0.288 0.000 0.920 101 Q CA -1.243 54.483 55.803 -0.128 0.000 0.766 101 Q CB 0.529 29.214 28.738 -0.089 0.000 1.467 101 Q HN 0.305 nan 8.270 nan 0.000 0.415 102 c N -1.420 116.994 118.600 -0.310 0.000 2.335 102 c HA 0.829 5.399 4.570 0.000 0.000 0.363 102 c C -2.248 171.637 174.090 -0.342 0.000 1.198 102 c CA -1.794 54.238 56.329 -0.495 0.000 2.279 102 c CB 0.206 42.496 42.510 -0.365 0.000 2.334 102 c HN 0.683 nan 8.230 nan 0.000 0.559 103 P HA 0.290 nan 4.420 nan 0.000 0.272 103 P C -0.614 176.648 177.300 -0.063 0.000 1.223 103 P CA -0.001 63.025 63.100 -0.122 0.000 0.784 103 P CB 0.247 31.932 31.700 -0.024 0.000 0.923 104 I N 1.276 121.841 120.570 -0.008 0.000 2.322 104 I HA 0.256 4.426 4.170 0.000 0.000 0.292 104 I C 0.902 177.045 176.117 0.043 0.000 1.060 104 I CA -0.388 60.919 61.300 0.011 0.000 1.309 104 I CB 0.230 38.259 38.000 0.048 0.000 1.415 104 I HN 0.313 nan 8.210 nan 0.000 0.492 105 A N 8.764 131.604 122.820 0.034 0.000 2.386 105 A HA 0.463 4.783 4.320 0.000 0.000 0.248 105 A C -2.314 175.311 177.584 0.067 0.000 1.082 105 A CA -1.356 50.712 52.037 0.052 0.000 0.789 105 A CB -0.316 18.708 19.000 0.041 0.000 1.025 105 A HN 0.431 nan 8.150 nan 0.000 0.490 106 P HA 0.168 nan 4.420 nan 0.000 0.260 106 P C 1.059 178.403 177.300 0.074 0.000 1.172 106 P CA 2.169 65.322 63.100 0.088 0.000 0.760 106 P CB 0.414 32.169 31.700 0.090 0.000 0.773 107 G N 1.944 110.791 108.800 0.079 0.000 2.258 107 G HA2 -0.229 3.731 3.960 0.000 0.000 0.233 107 G HA3 -0.229 3.731 3.960 0.000 0.000 0.233 107 G C 0.533 175.472 174.900 0.064 0.000 1.006 107 G CA -0.040 45.100 45.100 0.068 0.000 0.620 107 G HN 0.576 nan 8.290 nan 0.000 0.511 108 S N 0.551 116.288 115.700 0.061 0.000 2.617 108 S HA 0.643 5.113 4.470 0.000 0.000 0.269 108 S C 0.094 174.734 174.600 0.067 0.000 1.292 108 S CA 0.522 58.752 58.200 0.050 0.000 1.010 108 S CB 1.504 64.720 63.200 0.028 0.000 0.944 108 S HN 0.445 nan 8.310 nan 0.000 0.536 109 T N 2.652 117.243 114.554 0.062 0.000 2.847 109 T HA 0.409 4.760 4.350 0.000 0.000 0.291 109 T C -0.546 174.176 174.700 0.037 0.000 0.998 109 T CA -0.356 61.800 62.100 0.093 0.000 0.967 109 T CB 0.840 69.791 68.868 0.138 0.000 0.954 109 T HN 0.557 nan 8.240 nan 0.000 0.441 110 M N 4.595 124.189 119.600 -0.009 0.000 2.238 110 M HA 0.624 5.104 4.480 0.000 0.000 0.350 110 M C -1.214 174.966 176.300 -0.201 0.000 1.138 110 M CA -1.044 54.133 55.300 -0.206 0.000 1.040 110 M CB 0.840 33.196 32.600 -0.407 0.000 1.639 110 M HN 0.488 nan 8.290 nan 0.000 0.451 111 L N 6.312 127.378 121.223 -0.263 0.000 2.257 111 L HA 0.399 4.739 4.340 0.000 0.000 0.290 111 L C -1.924 174.798 176.870 -0.247 0.000 1.044 111 L CA 0.101 54.745 54.840 -0.327 0.000 0.810 111 L CB 0.370 42.199 42.059 -0.383 0.000 1.193 111 L HN 0.610 nan 8.230 nan 0.000 0.425 112 Y N 4.641 124.941 120.300 -0.001 0.000 2.367 112 Y HA 0.396 4.946 4.550 0.000 0.000 0.342 112 Y C 0.348 176.248 175.900 0.000 0.000 0.979 112 Y CA -0.196 57.998 58.100 0.155 0.000 1.161 112 Y CB 0.793 39.463 38.460 0.350 0.000 1.155 112 Y HN 0.637 nan 8.280 nan 0.000 0.503 113 N N 5.790 124.589 118.700 0.165 0.000 2.576 113 N HA 0.308 5.049 4.740 0.000 0.000 0.269 113 N C -1.798 173.752 175.510 0.066 0.000 1.058 113 N CA -0.620 52.407 53.050 -0.037 0.000 0.860 113 N CB 0.290 38.735 38.487 -0.069 0.000 1.249 113 N HN 0.454 nan 8.380 nan 0.000 0.525 114 F N -0.653 119.245 119.950 -0.086 0.000 2.645 114 F HA 0.689 5.216 4.527 0.000 0.000 0.310 114 F C -0.448 175.310 175.800 -0.070 0.000 1.102 114 F CA -0.864 57.084 58.000 -0.086 0.000 0.952 114 F CB 0.714 39.628 39.000 -0.144 0.000 1.326 114 F HN -0.035 nan 8.300 nan 0.000 0.456 115 T N 0.595 115.247 114.554 0.164 0.000 2.912 115 T HA 0.612 4.962 4.350 0.000 0.000 0.280 115 T C -0.683 174.127 174.700 0.182 0.000 0.989 115 T CA -0.717 61.438 62.100 0.091 0.000 0.995 115 T CB 1.945 70.852 68.868 0.065 0.000 1.077 115 T HN 0.579 nan 8.240 nan 0.000 0.531 116 V N 1.876 121.846 119.914 0.092 0.000 2.405 116 V HA 0.197 4.317 4.120 0.000 0.000 0.253 116 V C -0.077 176.004 176.094 -0.021 0.000 0.963 116 V CA -0.342 61.995 62.300 0.062 0.000 1.003 116 V CB 0.647 32.528 31.823 0.097 0.000 1.251 116 V HN 0.814 nan 8.190 nan 0.000 0.520 117 D N 0.732 121.097 120.400 -0.059 0.000 2.333 117 D HA 0.035 4.675 4.640 0.000 0.000 0.208 117 D C 0.985 177.002 176.300 -0.471 0.000 0.984 117 D CA 1.174 54.990 54.000 -0.306 0.000 0.873 117 D CB 0.453 40.956 40.800 -0.494 0.000 0.935 117 D HN 0.643 nan 8.370 nan 0.000 0.521 118 Y N -0.293 119.991 120.300 -0.027 0.000 2.500 118 Y HA 0.286 4.836 4.550 0.000 0.000 0.246 118 Y C -0.094 175.703 175.900 -0.171 0.000 1.146 118 Y CA -0.535 57.559 58.100 -0.009 0.000 1.230 118 Y CB 0.420 38.958 38.460 0.130 0.000 1.214 118 Y HN -0.250 nan 8.280 nan 0.000 0.526 119 N N -0.343 118.271 118.700 -0.143 0.000 2.238 119 N HA 0.645 5.385 4.740 0.000 0.000 0.302 119 N C -1.623 173.876 175.510 -0.018 0.000 1.072 119 N CA -0.537 52.368 53.050 -0.242 0.000 0.792 119 N CB 2.888 40.981 38.487 -0.657 0.000 1.425 119 N HN -0.236 nan 8.380 nan 0.000 0.478 120 V N 0.665 120.675 119.914 0.160 0.000 2.925 120 V HA 0.927 5.048 4.120 0.000 0.000 0.311 120 V C 0.464 176.746 176.094 0.313 0.000 1.104 120 V CA 0.295 62.723 62.300 0.214 0.000 0.954 120 V CB 1.437 33.341 31.823 0.136 0.000 1.022 120 V HN 0.945 nan 8.190 nan 0.000 0.427 121 G N 3.755 112.693 108.800 0.230 0.000 2.418 121 G HA2 -0.086 3.874 3.960 0.000 0.000 0.206 121 G HA3 -0.086 3.874 3.960 0.000 0.000 0.206 121 G C -0.242 174.634 174.900 -0.039 0.000 1.202 121 G CA -0.152 44.965 45.100 0.029 0.000 1.061 121 G HN 0.864 nan 8.290 nan 0.000 0.563 122 T N 1.507 115.859 114.554 -0.335 0.000 2.733 122 T HA 0.679 5.029 4.350 0.000 0.000 0.294 122 T C -0.847 173.537 174.700 -0.527 0.000 0.956 122 T CA 0.313 62.241 62.100 -0.286 0.000 0.987 122 T CB 0.700 69.413 68.868 -0.257 0.000 0.920 122 T HN 0.510 nan 8.240 nan 0.000 0.470 123 Y N 1.170 121.552 120.300 0.137 0.000 2.698 123 Y HA 0.780 5.330 4.550 0.000 0.000 0.332 123 Y C -0.505 175.603 175.900 0.347 0.000 1.119 123 Y CA -1.317 56.910 58.100 0.212 0.000 1.109 123 Y CB 1.556 40.096 38.460 0.133 0.000 1.308 123 Y HN 0.694 nan 8.280 nan 0.000 0.499 124 W N 0.580 121.965 121.300 0.141 0.000 3.042 124 W HA 0.633 5.293 4.660 0.000 0.000 0.342 124 W C -2.312 174.223 176.519 0.026 0.000 1.240 124 W CA -2.022 55.345 57.345 0.037 0.000 1.166 124 W CB 0.290 29.632 29.460 -0.196 0.000 1.469 124 W HN 0.604 nan 8.180 nan 0.000 0.579 125 Y N 0.441 120.655 120.300 -0.142 0.000 2.485 125 Y HA 0.777 5.327 4.550 0.000 0.000 0.345 125 Y C -0.739 174.799 175.900 -0.605 0.000 0.998 125 Y CA -1.243 56.504 58.100 -0.588 0.000 1.059 125 Y CB 1.567 39.752 38.460 -0.458 0.000 1.234 125 Y HN 0.665 nan 8.280 nan 0.000 0.461 126 H N -1.091 117.578 119.070 -0.668 0.000 3.037 126 H HA 0.549 5.105 4.556 0.000 0.000 0.355 126 H C -1.026 174.087 175.328 -0.360 0.000 1.263 126 H CA -1.195 54.484 56.048 -0.615 0.000 1.129 126 H CB 1.101 30.235 29.762 -1.047 0.000 1.861 126 H HN 0.762 nan 8.280 nan 0.000 0.546 127 S N -0.080 115.595 115.700 -0.042 0.000 2.560 127 S HA -0.023 4.447 4.470 0.000 0.000 0.284 127 S C 0.095 174.837 174.600 0.235 0.000 1.327 127 S CA -0.213 58.011 58.200 0.041 0.000 1.055 127 S CB -0.007 63.207 63.200 0.023 0.000 0.868 127 S HN 0.830 nan 8.310 nan 0.000 0.506 128 H N 3.088 122.235 119.070 0.127 0.000 2.581 128 H HA 0.294 4.850 4.556 0.000 0.000 0.275 128 H C 0.740 176.129 175.328 0.102 0.000 1.126 128 H CA 0.002 56.146 56.048 0.160 0.000 1.097 128 H CB -0.085 29.737 29.762 0.099 0.000 1.626 128 H HN 0.586 nan 8.280 nan 0.000 0.565 129 T N -0.298 114.378 114.554 0.204 0.000 3.560 129 T HA -0.006 4.344 4.350 0.000 0.000 0.350 129 T C 1.269 176.036 174.700 0.113 0.000 1.264 129 T CA -0.282 61.913 62.100 0.159 0.000 0.924 129 T CB 0.646 69.592 68.868 0.130 0.000 1.997 129 T HN 0.250 nan 8.240 nan 0.000 0.553 130 D N 0.592 121.040 120.400 0.080 0.000 2.074 130 D HA 0.008 4.648 4.640 0.000 0.000 0.221 130 D C 1.839 178.092 176.300 -0.078 0.000 0.972 130 D CA 1.259 55.282 54.000 0.038 0.000 0.901 130 D CB -0.519 40.317 40.800 0.060 0.000 1.047 130 D HN 0.615 nan 8.370 nan 0.000 0.453 131 G N -0.420 108.302 108.800 -0.129 0.000 3.192 131 G HA2 -0.026 3.934 3.960 0.000 0.000 0.239 131 G HA3 -0.026 3.934 3.960 0.000 0.000 0.239 131 G C 1.211 175.956 174.900 -0.258 0.000 1.084 131 G CA -0.093 44.811 45.100 -0.326 0.000 0.784 131 G HN 0.173 nan 8.290 nan 0.000 0.540 132 Q N -0.012 119.738 119.800 -0.083 0.000 2.146 132 Q HA -0.368 3.973 4.340 0.000 0.000 0.217 132 Q C 2.119 178.102 176.000 -0.028 0.000 1.023 132 Q CA 2.716 58.511 55.803 -0.012 0.000 0.903 132 Q CB -0.377 28.382 28.738 0.035 0.000 0.990 132 Q HN 0.784 nan 8.270 nan 0.000 0.413 133 Y N -0.191 120.052 120.300 -0.096 0.000 2.274 133 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 133 Y C 1.726 177.612 175.900 -0.024 0.000 1.145 133 Y CA 1.313 59.359 58.100 -0.091 0.000 1.203 133 Y CB -0.502 37.898 38.460 -0.099 0.000 0.984 133 Y HN 0.031 nan 8.280 nan 0.000 0.533 134 E N 0.749 120.707 120.200 -0.402 0.000 2.171 134 E HA -0.193 4.157 4.350 0.000 0.000 0.197 134 E C 0.807 177.433 176.600 0.042 0.000 0.997 134 E CA 1.511 57.794 56.400 -0.196 0.000 0.810 134 E CB -0.342 29.140 29.700 -0.364 0.000 0.738 134 E HN 0.651 nan 8.360 nan 0.000 0.467 135 D N -1.132 119.289 120.400 0.034 0.000 2.325 135 D HA 0.128 4.768 4.640 0.000 0.000 0.234 135 D C 1.101 177.557 176.300 0.261 0.000 1.122 135 D CA 0.735 54.815 54.000 0.135 0.000 0.850 135 D CB 0.543 41.455 40.800 0.187 0.000 0.921 135 D HN 0.329 nan 8.370 nan 0.000 0.513 136 G N 0.743 109.744 108.800 0.334 0.000 2.336 136 G HA2 -0.240 3.720 3.960 0.000 0.000 0.194 136 G HA3 -0.240 3.720 3.960 0.000 0.000 0.194 136 G C 0.463 175.477 174.900 0.189 0.000 0.999 136 G CA -0.084 45.321 45.100 0.509 0.000 0.669 136 G HN 0.324 nan 8.290 nan 0.000 0.482 137 M N 2.237 121.772 119.600 -0.109 0.000 3.237 137 M HA 0.469 4.949 4.480 0.000 0.000 0.266 137 M C 0.127 176.067 176.300 -0.599 0.000 1.456 137 M CA 0.124 54.980 55.300 -0.739 0.000 1.593 137 M CB -0.470 31.793 32.600 -0.563 0.000 1.129 137 M HN 0.344 nan 8.290 nan 0.000 0.547 138 K N 2.155 122.181 120.400 -0.623 0.000 2.587 138 K HA 0.862 5.182 4.320 0.000 0.000 0.276 138 K C -1.342 174.897 176.600 -0.602 0.000 0.956 138 K CA -1.086 54.911 56.287 -0.483 0.000 0.857 138 K CB 1.536 34.007 32.500 -0.048 0.000 1.431 138 K HN 0.443 nan 8.250 nan 0.000 0.420 139 G N 1.416 109.631 108.800 -0.974 0.000 2.576 139 G HA2 0.439 4.399 3.960 0.000 0.000 0.290 139 G HA3 0.439 4.399 3.960 0.000 0.000 0.290 139 G C -1.505 173.115 174.900 -0.467 0.000 1.442 139 G CA -1.158 43.488 45.100 -0.757 0.000 0.792 139 G HN 0.398 nan 8.290 nan 0.000 0.491 140 L N 0.047 121.225 121.223 -0.074 0.000 2.375 140 L HA 0.574 4.914 4.340 0.000 0.000 0.271 140 L C -0.831 176.242 176.870 0.340 0.000 1.107 140 L CA -0.609 54.301 54.840 0.116 0.000 0.806 140 L CB 1.409 43.471 42.059 0.004 0.000 1.146 140 L HN 0.448 nan 8.230 nan 0.000 0.447 141 F N 3.378 123.480 119.950 0.253 0.000 2.513 141 F HA 0.489 5.016 4.527 0.000 0.000 0.358 141 F C -0.631 175.300 175.800 0.219 0.000 1.118 141 F CA -0.547 57.620 58.000 0.278 0.000 1.037 141 F CB 0.929 40.142 39.000 0.354 0.000 1.276 141 F HN 0.132 nan 8.300 nan 0.000 0.446 142 I N 6.696 127.312 120.570 0.076 0.000 2.354 142 I HA 0.394 4.564 4.170 0.000 0.000 0.292 142 I C -0.507 175.649 176.117 0.065 0.000 0.989 142 I CA -0.449 60.913 61.300 0.103 0.000 1.188 142 I CB 1.513 39.509 38.000 -0.006 0.000 1.342 142 I HN 0.342 nan 8.210 nan 0.000 0.457 143 I N 6.275 126.963 120.570 0.197 0.000 2.362 143 I HA 0.369 4.539 4.170 0.000 0.000 0.289 143 I C -0.083 176.082 176.117 0.079 0.000 0.994 143 I CA -0.818 60.562 61.300 0.133 0.000 1.158 143 I CB 1.015 39.138 38.000 0.205 0.000 1.315 143 I HN 0.391 nan 8.210 nan 0.000 0.451 144 K N 5.280 125.700 120.400 0.032 0.000 2.174 144 K HA 0.300 4.620 4.320 0.000 0.000 0.275 144 K C -0.629 175.999 176.600 0.047 0.000 1.015 144 K CA -0.503 55.798 56.287 0.023 0.000 0.933 144 K CB 0.865 33.373 32.500 0.014 0.000 1.025 144 K HN 0.627 nan 8.250 nan 0.000 0.463 145 D N 1.274 121.713 120.400 0.065 0.000 2.619 145 D HA 0.119 4.759 4.640 0.000 0.000 0.241 145 D C -0.450 175.906 176.300 0.093 0.000 1.087 145 D CA -0.485 53.564 54.000 0.081 0.000 0.851 145 D CB 1.799 42.657 40.800 0.097 0.000 1.474 145 D HN 0.322 nan 8.370 nan 0.000 0.478 146 D N 0.585 121.024 120.400 0.065 0.000 2.263 146 D HA -0.106 4.534 4.640 0.000 0.000 0.208 146 D C 1.013 177.351 176.300 0.062 0.000 0.971 146 D CA 1.242 55.274 54.000 0.054 0.000 0.867 146 D CB 0.163 40.982 40.800 0.031 0.000 0.929 146 D HN 0.433 nan 8.370 nan 0.000 0.492 147 S N -0.437 115.305 115.700 0.071 0.000 2.506 147 S HA 0.178 4.648 4.470 0.000 0.000 0.245 147 S C 0.081 174.699 174.600 0.030 0.000 1.088 147 S CA -0.811 57.414 58.200 0.042 0.000 1.099 147 S CB -0.595 62.623 63.200 0.030 0.000 0.805 147 S HN 0.065 nan 8.310 nan 0.000 0.461 148 F N 4.790 124.700 119.950 -0.066 0.000 2.506 148 F HA 0.315 4.843 4.527 0.000 0.000 0.371 148 F C -1.048 174.615 175.800 -0.229 0.000 1.078 148 F CA -2.021 55.907 58.000 -0.120 0.000 1.195 148 F CB 0.863 39.867 39.000 0.007 0.000 1.099 148 F HN 0.100 nan 8.300 nan 0.000 0.548 149 P HA -0.125 nan 4.420 nan 0.000 0.223 149 P C -0.691 176.137 177.300 -0.786 0.000 1.151 149 P CA 1.212 63.706 63.100 -1.011 0.000 0.787 149 P CB -0.011 30.637 31.700 -1.754 0.000 0.788 150 Y N 0.049 120.085 120.300 -0.440 0.000 2.387 150 Y HA 0.380 4.930 4.550 0.000 0.000 0.330 150 Y C 0.734 176.760 175.900 0.210 0.000 1.133 150 Y CA -1.411 56.660 58.100 -0.049 0.000 1.152 150 Y CB 0.716 39.189 38.460 0.022 0.000 1.215 150 Y HN -0.271 nan 8.280 nan 0.000 0.466 151 D N 1.407 121.980 120.400 0.289 0.000 2.210 151 D HA 0.286 4.926 4.640 0.000 0.000 0.249 151 D C -1.029 175.406 176.300 0.225 0.000 1.062 151 D CA 0.119 54.188 54.000 0.116 0.000 0.891 151 D CB 1.047 41.869 40.800 0.037 0.000 1.186 151 D HN 0.502 nan 8.370 nan 0.000 0.432 152 Y N -1.677 118.686 120.300 0.104 0.000 2.624 152 Y HA 0.383 4.933 4.550 0.000 0.000 0.334 152 Y C -0.058 175.844 175.900 0.003 0.000 1.155 152 Y CA -0.920 57.216 58.100 0.061 0.000 1.046 152 Y CB 0.986 39.492 38.460 0.077 0.000 1.316 152 Y HN 0.052 nan 8.280 nan 0.000 0.457 153 D N 0.316 120.782 120.400 0.110 0.000 2.262 153 D HA 0.068 4.708 4.640 0.000 0.000 0.212 153 D C -0.152 176.147 176.300 -0.001 0.000 0.964 153 D CA 1.045 55.035 54.000 -0.017 0.000 0.875 153 D CB 0.715 41.467 40.800 -0.081 0.000 0.996 153 D HN 0.617 nan 8.370 nan 0.000 0.497 154 E N 0.392 120.590 120.200 -0.004 0.000 2.429 154 E HA 0.390 4.740 4.350 0.000 0.000 0.276 154 E C -0.707 175.966 176.600 0.123 0.000 0.953 154 E CA -0.524 55.873 56.400 -0.006 0.000 0.787 154 E CB 2.724 32.256 29.700 -0.280 0.000 1.307 154 E HN 0.142 nan 8.360 nan 0.000 0.458 155 E N 0.990 121.267 120.200 0.130 0.000 2.366 155 E HA 0.716 5.066 4.350 0.000 0.000 0.278 155 E C -0.839 175.778 176.600 0.030 0.000 0.923 155 E CA -0.884 55.529 56.400 0.022 0.000 0.761 155 E CB 2.019 31.649 29.700 -0.117 0.000 1.231 155 E HN 0.457 nan 8.360 nan 0.000 0.443 156 L N -1.366 119.820 121.223 -0.061 0.000 2.801 156 L HA 0.829 5.169 4.340 0.000 0.000 0.264 156 L C -1.315 175.409 176.870 -0.243 0.000 1.086 156 L CA -0.863 53.888 54.840 -0.148 0.000 0.920 156 L CB 2.103 44.041 42.059 -0.201 0.000 1.529 156 L HN 0.544 nan 8.230 nan 0.000 0.399 157 S N 0.412 115.947 115.700 -0.275 0.000 2.599 157 S HA 0.825 5.295 4.470 0.000 0.000 0.294 157 S C -0.925 173.452 174.600 -0.371 0.000 1.094 157 S CA -0.666 57.349 58.200 -0.309 0.000 0.931 157 S CB 1.902 64.953 63.200 -0.249 0.000 1.093 157 S HN 0.531 nan 8.310 nan 0.000 0.488 158 L N 1.608 122.589 121.223 -0.403 0.000 2.356 158 L HA 0.504 4.844 4.340 0.000 0.000 0.277 158 L C -0.478 176.156 176.870 -0.393 0.000 0.996 158 L CA -0.471 54.127 54.840 -0.402 0.000 0.822 158 L CB 2.081 43.872 42.059 -0.448 0.000 1.256 158 L HN 0.524 nan 8.230 nan 0.000 0.413 159 S N 4.481 119.975 115.700 -0.343 0.000 2.466 159 S HA 0.495 4.965 4.470 0.000 0.000 0.313 159 S C -0.050 174.352 174.600 -0.331 0.000 1.078 159 S CA -0.588 57.398 58.200 -0.356 0.000 1.115 159 S CB 0.072 63.084 63.200 -0.313 0.000 1.006 159 S HN 0.326 nan 8.310 nan 0.000 0.487 160 L N 2.525 123.527 121.223 -0.369 0.000 2.417 160 L HA 0.607 4.947 4.340 0.000 0.000 0.268 160 L C 0.662 177.352 176.870 -0.299 0.000 1.158 160 L CA -0.186 54.463 54.840 -0.318 0.000 0.819 160 L CB 0.887 42.742 42.059 -0.341 0.000 1.112 160 L HN 0.516 nan 8.230 nan 0.000 0.458 161 S N 0.189 115.749 115.700 -0.234 0.000 2.587 161 S HA 0.318 4.788 4.470 0.000 0.000 0.269 161 S C -1.434 173.081 174.600 -0.141 0.000 1.154 161 S CA -0.838 57.266 58.200 -0.160 0.000 0.824 161 S CB 1.611 64.776 63.200 -0.057 0.000 1.118 161 S HN 0.709 nan 8.310 nan 0.000 0.462 162 E N 1.712 121.861 120.200 -0.085 0.000 2.239 162 E HA 0.366 4.716 4.350 0.000 0.000 0.261 162 E C -1.178 175.542 176.600 0.200 0.000 1.016 162 E CA -0.679 55.683 56.400 -0.063 0.000 0.882 162 E CB 1.165 30.762 29.700 -0.172 0.000 1.190 162 E HN 0.708 nan 8.360 nan 0.000 0.415 163 W N 1.857 123.099 121.300 -0.097 0.000 2.957 163 W HA 0.389 5.049 4.660 0.000 0.000 0.336 163 W C -1.784 174.724 176.519 -0.019 0.000 1.087 163 W CA -0.767 56.589 57.345 0.019 0.000 1.235 163 W CB 1.485 30.990 29.460 0.075 0.000 1.399 163 W HN 0.503 nan 8.180 nan 0.000 0.480 164 Y N 2.975 122.994 120.300 -0.469 0.000 2.419 164 Y HA 0.224 4.774 4.550 0.000 0.000 0.328 164 Y C 1.511 177.194 175.900 -0.361 0.000 1.162 164 Y CA -0.153 57.768 58.100 -0.299 0.000 1.174 164 Y CB 1.474 39.819 38.460 -0.192 0.000 1.228 164 Y HN 0.434 nan 8.280 nan 0.000 0.473 165 H N -0.349 118.680 119.070 -0.069 0.000 2.563 165 H HA 0.104 4.660 4.556 0.000 0.000 0.264 165 H C -0.782 174.523 175.328 -0.038 0.000 0.957 165 H CA 0.102 56.125 56.048 -0.043 0.000 1.173 165 H CB 0.567 30.354 29.762 0.041 0.000 1.420 165 H HN 0.699 nan 8.280 nan 0.000 0.551 166 D N 0.394 120.847 120.400 0.088 0.000 2.342 166 D HA 0.226 4.866 4.640 0.000 0.000 0.243 166 D C -0.755 175.507 176.300 -0.063 0.000 1.019 166 D CA -0.722 53.283 54.000 0.007 0.000 0.864 166 D CB 2.042 42.850 40.800 0.013 0.000 1.315 166 D HN -0.114 nan 8.370 nan 0.000 0.468 167 L N 1.512 122.688 121.223 -0.078 0.000 2.483 167 L HA 0.003 4.343 4.340 0.000 0.000 0.275 167 L C 1.425 178.255 176.870 -0.067 0.000 1.220 167 L CA 0.328 55.122 54.840 -0.077 0.000 0.833 167 L CB 0.667 42.658 42.059 -0.114 0.000 1.102 167 L HN 0.427 nan 8.230 nan 0.000 0.490 168 V N 1.566 121.444 119.914 -0.060 0.000 2.282 168 V HA -0.336 3.784 4.120 0.000 0.000 0.249 168 V C 2.130 178.235 176.094 0.019 0.000 1.057 168 V CA 2.427 64.700 62.300 -0.045 0.000 1.032 168 V CB -0.860 30.885 31.823 -0.130 0.000 0.645 168 V HN 1.057 nan 8.190 nan 0.000 0.447 169 T N -0.336 114.226 114.554 0.014 0.000 2.649 169 T HA -0.273 4.077 4.350 0.000 0.000 0.268 169 T C 1.634 176.341 174.700 0.012 0.000 1.036 169 T CA 1.991 64.103 62.100 0.020 0.000 1.157 169 T CB -0.437 68.427 68.868 -0.007 0.000 0.861 169 T HN 0.549 nan 8.240 nan 0.000 0.445 170 D N 0.837 121.227 120.400 -0.017 0.000 2.123 170 D HA 0.023 4.663 4.640 0.000 0.000 0.200 170 D C 2.245 178.542 176.300 -0.006 0.000 0.976 170 D CA 0.756 54.746 54.000 -0.017 0.000 0.831 170 D CB -0.301 40.477 40.800 -0.037 0.000 0.974 170 D HN 0.329 nan 8.370 nan 0.000 0.469 171 L N 0.919 122.132 121.223 -0.017 0.000 2.083 171 L HA -0.146 4.194 4.340 0.000 0.000 0.209 171 L C 2.538 179.417 176.870 0.015 0.000 1.083 171 L CA 1.130 55.936 54.840 -0.056 0.000 0.752 171 L CB -0.783 41.175 42.059 -0.169 0.000 0.899 171 L HN -0.010 nan 8.230 nan 0.000 0.433 172 T N -0.566 114.056 114.554 0.113 0.000 2.803 172 T HA -0.200 4.150 4.350 0.000 0.000 0.269 172 T C 1.839 176.620 174.700 0.135 0.000 1.052 172 T CA 1.188 63.413 62.100 0.208 0.000 1.136 172 T CB -0.159 68.829 68.868 0.199 0.000 0.864 172 T HN 0.325 nan 8.240 nan 0.000 0.467 173 K N 1.390 121.835 120.400 0.075 0.000 2.103 173 K HA -0.076 4.244 4.320 0.000 0.000 0.207 173 K C 2.557 179.185 176.600 0.048 0.000 1.048 173 K CA 1.741 58.059 56.287 0.051 0.000 0.930 173 K CB -0.134 32.386 32.500 0.034 0.000 0.716 173 K HN 0.461 nan 8.250 nan 0.000 0.444 174 S N -0.392 115.336 115.700 0.046 0.000 2.517 174 S HA 0.029 4.499 4.470 0.000 0.000 0.214 174 S C 1.536 176.160 174.600 0.040 0.000 0.991 174 S CA -0.354 57.872 58.200 0.043 0.000 0.906 174 S CB -0.143 63.071 63.200 0.022 0.000 0.789 174 S HN 0.241 nan 8.310 nan 0.000 0.513 175 F N 2.127 122.004 119.950 -0.122 0.000 2.118 175 F HA 0.452 4.979 4.527 0.000 0.000 0.293 175 F C 1.026 176.751 175.800 -0.126 0.000 1.102 175 F CA 0.486 58.380 58.000 -0.176 0.000 1.247 175 F CB -0.114 38.730 39.000 -0.260 0.000 1.017 175 F HN 0.156 nan 8.300 nan 0.000 0.475 176 M N 1.527 120.966 119.600 -0.268 0.000 3.176 176 M HA 0.234 4.715 4.480 0.000 0.000 0.284 176 M C -0.589 175.570 176.300 -0.235 0.000 1.392 176 M CA 0.025 55.092 55.300 -0.388 0.000 1.520 176 M CB -0.149 32.335 32.600 -0.193 0.000 1.100 176 M HN 0.104 nan 8.290 nan 0.000 0.555 177 S N 0.551 116.100 115.700 -0.251 0.000 2.579 177 S HA 0.498 4.968 4.470 0.000 0.000 0.272 177 S C 0.762 175.227 174.600 -0.224 0.000 1.141 177 S CA -0.606 57.500 58.200 -0.157 0.000 0.843 177 S CB 1.183 64.371 63.200 -0.020 0.000 1.122 177 S HN 0.522 nan 8.310 nan 0.000 0.468 178 V N 2.001 121.718 119.914 -0.328 0.000 2.970 178 V HA 0.131 4.251 4.120 0.000 0.000 0.260 178 V C 0.922 176.748 176.094 -0.445 0.000 1.100 178 V CA 1.218 63.267 62.300 -0.418 0.000 1.122 178 V CB -1.412 30.108 31.823 -0.506 0.000 0.721 178 V HN 0.853 nan 8.190 nan 0.000 0.483 179 Y N 1.008 121.273 120.300 -0.058 0.000 2.470 179 Y HA 0.403 4.953 4.550 0.000 0.000 0.284 179 Y C 1.204 177.068 175.900 -0.060 0.000 1.188 179 Y CA 0.176 58.247 58.100 -0.048 0.000 1.269 179 Y CB -0.142 38.296 38.460 -0.038 0.000 1.094 179 Y HN 0.423 nan 8.280 nan 0.000 0.518 180 N N 0.241 118.926 118.700 -0.026 0.000 2.733 180 N HA 0.229 4.969 4.740 0.000 0.000 0.271 180 N C -2.530 172.912 175.510 -0.112 0.000 1.720 180 N CA -2.177 50.835 53.050 -0.063 0.000 0.803 180 N CB 0.734 39.159 38.487 -0.104 0.000 1.208 180 N HN -0.120 nan 8.380 nan 0.000 0.498 181 P HA -0.025 nan 4.420 nan 0.000 0.221 181 P C 0.991 178.260 177.300 -0.053 0.000 1.150 181 P CA 1.123 64.182 63.100 -0.068 0.000 0.800 181 P CB 0.127 31.803 31.700 -0.039 0.000 0.787 182 T N -4.668 109.864 114.554 -0.037 0.000 3.055 182 T HA 0.184 4.534 4.350 0.000 0.000 0.265 182 T C 1.648 176.339 174.700 -0.015 0.000 1.111 182 T CA 0.652 62.746 62.100 -0.010 0.000 1.118 182 T CB -1.143 67.732 68.868 0.011 0.000 0.909 182 T HN 0.228 nan 8.240 nan 0.000 0.501 183 G N 1.670 110.424 108.800 -0.076 0.000 2.160 183 G HA2 -0.070 3.891 3.960 0.000 0.000 0.251 183 G HA3 -0.070 3.891 3.960 0.000 0.000 0.251 183 G C 0.253 175.198 174.900 0.075 0.000 1.008 183 G CA -0.101 44.933 45.100 -0.110 0.000 0.724 183 G HN 1.195 nan 8.290 nan 0.000 0.514 184 A N 0.737 123.597 122.820 0.068 0.000 2.545 184 A HA 0.468 4.788 4.320 0.000 0.000 0.253 184 A C 0.959 178.635 177.584 0.154 0.000 1.074 184 A CA 0.713 52.812 52.037 0.103 0.000 0.760 184 A CB 0.195 19.226 19.000 0.051 0.000 1.005 184 A HN 0.858 nan 8.150 nan 0.000 0.506 185 E N 4.237 124.446 120.200 0.015 0.000 2.338 185 E HA 0.313 4.663 4.350 0.000 0.000 0.272 185 E C -2.590 173.654 176.600 -0.593 0.000 1.029 185 E CA -1.991 54.077 56.400 -0.554 0.000 0.872 185 E CB 0.216 29.395 29.700 -0.867 0.000 1.015 185 E HN 0.435 nan 8.360 nan 0.000 0.417 186 P HA 0.097 nan 4.420 nan 0.000 0.268 186 P C -0.308 176.987 177.300 -0.008 0.000 1.204 186 P CA 0.082 62.889 63.100 -0.489 0.000 0.768 186 P CB 0.441 31.674 31.700 -0.778 0.000 0.842 187 I N 5.726 126.370 120.570 0.123 0.000 2.371 187 I HA 0.216 4.386 4.170 0.000 0.000 0.290 187 I C -1.615 174.571 176.117 0.114 0.000 1.028 187 I CA -2.143 59.261 61.300 0.173 0.000 1.345 187 I CB 0.635 38.656 38.000 0.035 0.000 1.407 187 I HN 0.259 nan 8.210 nan 0.000 0.501 188 P HA 0.146 nan 4.420 nan 0.000 0.274 188 P C -0.462 176.698 177.300 -0.233 0.000 1.256 188 P CA -0.293 62.421 63.100 -0.643 0.000 0.795 188 P CB 0.900 32.218 31.700 -0.636 0.000 1.038 189 Q N -0.623 119.045 119.800 -0.220 0.000 2.373 189 Q HA 0.240 4.580 4.340 0.000 0.000 0.210 189 Q C 0.067 176.076 176.000 0.015 0.000 0.913 189 Q CA 1.075 56.768 55.803 -0.184 0.000 0.911 189 Q CB 0.220 28.629 28.738 -0.549 0.000 1.040 189 Q HN 0.434 nan 8.270 nan 0.000 0.521 190 N N -1.193 117.599 118.700 0.153 0.000 2.859 190 N HA 0.307 5.047 4.740 0.000 0.000 0.250 190 N C -1.594 174.006 175.510 0.151 0.000 1.341 190 N CA -0.459 52.723 53.050 0.220 0.000 0.881 190 N CB 1.276 39.883 38.487 0.199 0.000 1.516 190 N HN -0.046 nan 8.380 nan 0.000 0.503 191 L N 1.803 123.045 121.223 0.032 0.000 2.334 191 L HA 0.609 4.949 4.340 0.000 0.000 0.277 191 L C 0.396 177.211 176.870 -0.092 0.000 1.075 191 L CA -0.641 54.098 54.840 -0.168 0.000 0.804 191 L CB 0.681 42.551 42.059 -0.315 0.000 1.174 191 L HN 0.494 nan 8.230 nan 0.000 0.438 192 I N 0.291 120.791 120.570 -0.117 0.000 2.934 192 I HA 0.809 4.979 4.170 0.000 0.000 0.306 192 I C -0.841 175.173 176.117 -0.172 0.000 1.110 192 I CA -1.055 60.165 61.300 -0.135 0.000 1.019 192 I CB 2.294 40.203 38.000 -0.152 0.000 1.227 192 I HN 0.278 nan 8.210 nan 0.000 0.434 193 V N 0.447 120.252 119.914 -0.181 0.000 2.709 193 V HA 0.531 4.651 4.120 0.000 0.000 0.308 193 V C -0.048 175.925 176.094 -0.202 0.000 1.062 193 V CA -0.780 61.401 62.300 -0.198 0.000 0.901 193 V CB 1.045 32.757 31.823 -0.185 0.000 1.003 193 V HN 0.937 nan 8.190 nan 0.000 0.425 194 N N 3.163 121.731 118.700 -0.221 0.000 2.701 194 N HA -0.246 4.494 4.740 0.000 0.000 0.250 194 N C 0.488 175.875 175.510 -0.205 0.000 1.046 194 N CA 1.299 54.219 53.050 -0.215 0.000 0.733 194 N CB -1.195 37.173 38.487 -0.199 0.000 0.973 194 N HN 1.016 nan 8.380 nan 0.000 0.541 195 N N -2.797 115.773 118.700 -0.217 0.000 2.747 195 N HA -0.211 4.529 4.740 0.000 0.000 0.249 195 N C -0.267 175.121 175.510 -0.204 0.000 1.107 195 N CA 1.617 54.531 53.050 -0.228 0.000 0.707 195 N CB -1.370 36.992 38.487 -0.208 0.000 1.054 195 N HN 0.745 nan 8.380 nan 0.000 0.555 196 T N -3.590 110.849 114.554 -0.191 0.000 2.618 196 T HA 0.731 5.081 4.350 0.000 0.000 0.293 196 T C -0.065 174.545 174.700 -0.151 0.000 1.093 196 T CA -0.883 61.121 62.100 -0.160 0.000 1.061 196 T CB 2.192 70.994 68.868 -0.110 0.000 1.498 196 T HN -0.011 nan 8.240 nan 0.000 0.494 197 M N 1.337 120.867 119.600 -0.116 0.000 2.716 197 M HA 0.433 4.913 4.480 0.000 0.000 0.307 197 M C -0.820 175.400 176.300 -0.133 0.000 1.223 197 M CA -0.681 54.551 55.300 -0.114 0.000 0.871 197 M CB 1.690 34.251 32.600 -0.065 0.000 1.739 197 M HN 1.030 nan 8.290 nan 0.000 0.475 198 N N 0.419 118.996 118.700 -0.205 0.000 2.666 198 N HA -0.196 4.544 4.740 0.000 0.000 0.274 198 N C -1.256 174.060 175.510 -0.324 0.000 1.043 198 N CA 0.158 52.990 53.050 -0.364 0.000 0.782 198 N CB -1.577 36.802 38.487 -0.180 0.000 0.912 198 N HN 0.544 nan 8.380 nan 0.000 0.556 199 L N -0.243 120.786 121.223 -0.324 0.000 2.399 199 L HA 0.593 4.933 4.340 0.000 0.000 0.266 199 L C 0.010 176.825 176.870 -0.093 0.000 1.114 199 L CA -0.018 54.725 54.840 -0.161 0.000 0.804 199 L CB 1.360 43.329 42.059 -0.150 0.000 1.146 199 L HN 0.332 nan 8.230 nan 0.000 0.451 200 T N 3.583 118.170 114.554 0.055 0.000 2.795 200 T HA 0.283 4.633 4.350 0.000 0.000 0.282 200 T C -1.465 173.342 174.700 0.177 0.000 0.980 200 T CA 0.162 62.356 62.100 0.158 0.000 1.012 200 T CB 0.531 69.493 68.868 0.156 0.000 0.936 200 T HN 0.572 nan 8.240 nan 0.000 0.457 201 W N 4.387 125.655 121.300 -0.052 0.000 2.391 201 W HA 0.394 5.054 4.660 0.000 0.000 0.312 201 W C -0.746 175.693 176.519 -0.134 0.000 1.003 201 W CA -1.563 55.712 57.345 -0.116 0.000 1.375 201 W CB 0.378 29.737 29.460 -0.168 0.000 1.253 201 W HN 0.605 nan 8.180 nan 0.000 0.416 202 E N 4.836 125.026 120.200 -0.016 0.000 2.194 202 E HA 0.314 4.664 4.350 0.000 0.000 0.284 202 E C -0.026 176.336 176.600 -0.397 0.000 1.035 202 E CA -0.364 55.923 56.400 -0.187 0.000 0.836 202 E CB 1.433 31.105 29.700 -0.046 0.000 1.070 202 E HN 0.323 nan 8.360 nan 0.000 0.401 203 V N 0.250 119.795 119.914 -0.615 0.000 3.019 203 V HA 0.429 4.549 4.120 0.000 0.000 0.317 203 V C -0.363 175.513 176.094 -0.363 0.000 1.094 203 V CA -1.187 60.687 62.300 -0.710 0.000 1.000 203 V CB 2.030 33.058 31.823 -1.325 0.000 1.060 203 V HN 0.460 nan 8.190 nan 0.000 0.443 204 Q N 1.791 121.530 119.800 -0.103 0.000 2.266 204 Q HA 0.543 4.883 4.340 0.000 0.000 0.261 204 Q C -2.694 173.292 176.000 -0.023 0.000 0.985 204 Q CA -2.091 53.691 55.803 -0.034 0.000 0.873 204 Q CB 2.076 30.835 28.738 0.035 0.000 1.306 204 Q HN 0.616 nan 8.270 nan 0.000 0.447 205 P HA -0.055 nan 4.420 nan 0.000 0.272 205 P C -0.205 177.125 177.300 0.049 0.000 1.223 205 P CA 0.090 63.263 63.100 0.122 0.000 0.784 205 P CB 0.378 32.168 31.700 0.150 0.000 0.923 206 D N -0.560 119.836 120.400 -0.007 0.000 2.735 206 D HA -0.138 4.502 4.640 0.000 0.000 0.235 206 D C -1.100 175.208 176.300 0.013 0.000 1.175 206 D CA 1.182 55.139 54.000 -0.072 0.000 0.683 206 D CB -1.435 39.398 40.800 0.055 0.000 1.008 206 D HN 0.289 nan 8.370 nan 0.000 0.416 207 T N 1.002 115.519 114.554 -0.061 0.000 2.916 207 T HA 0.486 4.836 4.350 0.000 0.000 0.298 207 T C -0.201 174.605 174.700 0.177 0.000 1.031 207 T CA -0.652 61.468 62.100 0.032 0.000 0.993 207 T CB 1.819 70.627 68.868 -0.100 0.000 1.045 207 T HN -0.027 nan 8.240 nan 0.000 0.454 208 T N 3.541 118.237 114.554 0.236 0.000 2.728 208 T HA 0.408 4.758 4.350 0.000 0.000 0.296 208 T C -0.826 173.937 174.700 0.106 0.000 0.940 208 T CA -0.169 62.110 62.100 0.298 0.000 1.013 208 T CB -0.127 68.888 68.868 0.246 0.000 0.912 208 T HN 0.365 nan 8.240 nan 0.000 0.484 209 Y N 2.191 122.625 120.300 0.224 0.000 2.330 209 Y HA 0.479 5.029 4.550 0.000 0.000 0.336 209 Y C 0.113 176.071 175.900 0.096 0.000 1.036 209 Y CA -1.169 57.050 58.100 0.198 0.000 1.125 209 Y CB 1.163 39.811 38.460 0.313 0.000 1.194 209 Y HN 0.475 nan 8.280 nan 0.000 0.469 210 L N 5.380 126.631 121.223 0.046 0.000 2.283 210 L HA 0.354 4.694 4.340 0.000 0.000 0.287 210 L C -1.072 175.723 176.870 -0.125 0.000 1.073 210 L CA 0.059 54.775 54.840 -0.208 0.000 0.822 210 L CB 0.016 41.588 42.059 -0.811 0.000 1.186 210 L HN 0.605 nan 8.230 nan 0.000 0.436 211 L N 6.426 127.597 121.223 -0.087 0.000 2.276 211 L HA 0.497 4.837 4.340 0.000 0.000 0.286 211 L C -0.377 176.370 176.870 -0.206 0.000 1.024 211 L CA -0.664 54.077 54.840 -0.165 0.000 0.826 211 L CB 0.680 42.660 42.059 -0.131 0.000 1.211 211 L HN 0.672 nan 8.230 nan 0.000 0.422 212 R N 5.984 126.330 120.500 -0.256 0.000 2.205 212 R HA 0.426 4.766 4.340 0.000 0.000 0.342 212 R C -0.753 175.355 176.300 -0.320 0.000 1.058 212 R CA -0.230 55.716 56.100 -0.256 0.000 0.904 212 R CB 0.610 30.765 30.300 -0.243 0.000 1.089 212 R HN 0.533 nan 8.270 nan 0.000 0.471 213 I N 3.588 123.962 120.570 -0.328 0.000 2.304 213 I HA 0.237 4.407 4.170 0.000 0.000 0.291 213 I C -0.350 175.529 176.117 -0.397 0.000 1.018 213 I CA -0.819 60.207 61.300 -0.458 0.000 1.260 213 I CB 1.453 39.095 38.000 -0.597 0.000 1.390 213 I HN 0.196 nan 8.210 nan 0.000 0.475 214 V N 5.397 125.036 119.914 -0.458 0.000 2.483 214 V HA 0.295 4.415 4.120 0.000 0.000 0.297 214 V C -0.047 175.696 176.094 -0.585 0.000 1.027 214 V CA -0.789 61.199 62.300 -0.520 0.000 0.855 214 V CB 1.822 33.310 31.823 -0.559 0.000 0.995 214 V HN 0.651 nan 8.190 nan 0.000 0.424 215 N N 3.807 122.146 118.700 -0.602 0.000 2.482 215 N HA 0.120 4.860 4.740 0.000 0.000 0.242 215 N C 0.450 175.471 175.510 -0.813 0.000 1.100 215 N CA -0.212 52.487 53.050 -0.585 0.000 0.946 215 N CB 1.530 39.739 38.487 -0.463 0.000 1.227 215 N HN 0.642 nan 8.380 nan 0.000 0.508 216 V N 1.425 120.868 119.914 -0.785 0.000 3.415 216 V HA 0.464 4.584 4.120 0.000 0.000 0.325 216 V C 1.207 177.120 176.094 -0.302 0.000 1.313 216 V CA -0.522 61.204 62.300 -0.957 0.000 1.228 216 V CB -0.555 30.857 31.823 -0.685 0.000 1.131 216 V HN 0.368 nan 8.190 nan 0.000 0.433 217 G N 0.186 108.847 108.800 -0.232 0.000 2.616 217 G HA2 0.478 4.438 3.960 0.000 0.000 0.268 217 G HA3 0.478 4.438 3.960 0.000 0.000 0.268 217 G C 0.835 175.823 174.900 0.147 0.000 1.213 217 G CA -0.012 45.074 45.100 -0.024 0.000 0.926 217 G HN 0.531 nan 8.290 nan 0.000 0.523 218 G N -1.815 107.029 108.800 0.073 0.000 2.939 218 G HA2 0.288 4.248 3.960 0.000 0.000 0.216 218 G HA3 0.288 4.248 3.960 0.000 0.000 0.216 218 G C 0.516 175.416 174.900 0.001 0.000 1.125 218 G CA 0.526 45.568 45.100 -0.096 0.000 0.766 218 G HN 0.435 nan 8.290 nan 0.000 0.541 219 F N -0.108 119.802 119.950 -0.066 0.000 1.881 219 F HA 0.486 5.013 4.527 0.000 0.000 0.233 219 F C 0.121 175.906 175.800 -0.026 0.000 1.186 219 F CA -0.752 57.245 58.000 -0.004 0.000 1.298 219 F CB 0.218 39.370 39.000 0.253 0.000 1.756 219 F HN -0.120 nan 8.300 nan 0.000 0.431 220 V N 2.631 122.378 119.914 -0.278 0.000 2.498 220 V HA 0.428 4.548 4.120 0.000 0.000 0.279 220 V C 0.145 176.005 176.094 -0.390 0.000 1.048 220 V CA -0.236 61.738 62.300 -0.544 0.000 0.967 220 V CB 1.048 32.532 31.823 -0.566 0.000 0.988 220 V HN 0.464 nan 8.190 nan 0.000 0.473 221 S N 5.553 121.013 115.700 -0.400 0.000 2.579 221 S HA 0.321 4.791 4.470 0.000 0.000 0.275 221 S C -0.334 173.914 174.600 -0.588 0.000 1.345 221 S CA -0.275 57.577 58.200 -0.581 0.000 1.031 221 S CB 0.582 63.286 63.200 -0.827 0.000 0.892 221 S HN 0.828 nan 8.310 nan 0.000 0.529 222 Q N 0.453 119.851 119.800 -0.669 0.000 2.394 222 Q HA 0.413 4.753 4.340 0.000 0.000 0.273 222 Q C -1.608 174.123 176.000 -0.448 0.000 1.089 222 Q CA -0.618 54.910 55.803 -0.457 0.000 0.812 222 Q CB 1.731 30.272 28.738 -0.328 0.000 1.353 222 Q HN 0.621 nan 8.270 nan 0.000 0.438 223 Y N 0.861 121.153 120.300 -0.014 0.000 2.310 223 Y HA 0.488 5.038 4.550 0.000 0.000 0.326 223 Y C -0.549 175.511 175.900 0.267 0.000 1.151 223 Y CA -0.443 57.754 58.100 0.162 0.000 1.195 223 Y CB 0.856 39.502 38.460 0.311 0.000 1.210 223 Y HN 0.501 nan 8.280 nan 0.000 0.483 224 F N 4.253 124.377 119.950 0.290 0.000 2.561 224 F HA 0.662 5.189 4.527 0.000 0.000 0.313 224 F C -1.636 174.379 175.800 0.359 0.000 1.126 224 F CA -1.250 56.832 58.000 0.137 0.000 0.918 224 F CB 1.130 40.088 39.000 -0.070 0.000 1.199 224 F HN 0.666 nan 8.300 nan 0.000 0.444 225 W N 5.684 126.619 121.300 -0.607 0.000 3.066 225 W HA 0.779 5.440 4.660 0.000 0.000 0.330 225 W C -2.539 173.683 176.519 -0.495 0.000 1.253 225 W CA -1.412 55.702 57.345 -0.384 0.000 1.187 225 W CB 0.711 30.110 29.460 -0.102 0.000 1.434 225 W HN 0.440 nan 8.180 nan 0.000 0.572 226 I N 2.333 122.873 120.570 -0.048 0.000 2.418 226 I HA 0.157 4.327 4.170 0.000 0.000 0.287 226 I C 0.221 176.467 176.117 0.216 0.000 1.008 226 I CA -1.027 60.240 61.300 -0.054 0.000 1.104 226 I CB 1.742 39.740 38.000 -0.003 0.000 1.264 226 I HN 0.636 nan 8.210 nan 0.000 0.438 227 E N 6.529 126.863 120.200 0.224 0.000 2.652 227 E HA -0.186 4.164 4.350 0.000 0.000 0.255 227 E C -0.069 176.743 176.600 0.353 0.000 0.952 227 E CA 0.487 57.097 56.400 0.351 0.000 0.947 227 E CB 0.229 30.147 29.700 0.363 0.000 0.912 227 E HN 0.626 nan 8.360 nan 0.000 0.489 228 D N 2.175 122.709 120.400 0.223 0.000 3.039 228 D HA -0.215 4.425 4.640 0.000 0.000 0.222 228 D C -1.224 174.933 176.300 -0.240 0.000 1.179 228 D CA 1.289 55.298 54.000 0.016 0.000 0.880 228 D CB -1.141 39.685 40.800 0.044 0.000 1.115 228 D HN 0.539 nan 8.370 nan 0.000 0.416 229 H N 0.032 119.076 119.070 -0.044 0.000 2.609 229 H HA 0.357 4.913 4.556 0.000 0.000 0.344 229 H C 0.148 175.506 175.328 0.051 0.000 1.040 229 H CA -0.613 55.414 56.048 -0.036 0.000 1.216 229 H CB 1.136 30.864 29.762 -0.056 0.000 1.529 229 H HN -0.070 nan 8.280 nan 0.000 0.519 230 E N 3.199 123.484 120.200 0.142 0.000 2.349 230 E HA 0.326 4.676 4.350 0.000 0.000 0.262 230 E C -0.420 176.281 176.600 0.169 0.000 1.088 230 E CA -0.391 56.089 56.400 0.135 0.000 0.899 230 E CB 1.406 31.159 29.700 0.089 0.000 1.044 230 E HN 0.450 nan 8.360 nan 0.000 0.420 231 M N 1.210 120.905 119.600 0.158 0.000 2.253 231 M HA 0.234 4.714 4.480 0.000 0.000 0.314 231 M C -0.802 175.572 176.300 0.124 0.000 1.019 231 M CA -0.498 54.900 55.300 0.162 0.000 0.932 231 M CB 2.203 34.919 32.600 0.194 0.000 1.606 231 M HN 0.266 nan 8.290 nan 0.000 0.430 232 T N 3.028 117.642 114.554 0.099 0.000 2.781 232 T HA 0.373 4.723 4.350 0.000 0.000 0.305 232 T C -0.004 174.725 174.700 0.048 0.000 1.001 232 T CA -0.468 61.661 62.100 0.048 0.000 0.950 232 T CB 0.468 69.331 68.868 -0.009 0.000 0.955 232 T HN 0.365 nan 8.240 nan 0.000 0.471 233 V N 5.025 124.988 119.914 0.081 0.000 2.508 233 V HA 0.145 4.265 4.120 0.000 0.000 0.281 233 V C 1.292 177.427 176.094 0.070 0.000 1.041 233 V CA 0.085 62.458 62.300 0.122 0.000 1.016 233 V CB 0.991 32.939 31.823 0.209 0.000 0.984 233 V HN 0.858 nan 8.190 nan 0.000 0.478 234 V N 0.843 120.817 119.914 0.100 0.000 3.451 234 V HA 0.534 4.654 4.120 0.000 0.000 0.288 234 V C 0.210 176.449 176.094 0.243 0.000 1.502 234 V CA 0.151 62.551 62.300 0.166 0.000 1.026 234 V CB 0.300 32.239 31.823 0.194 0.000 0.840 234 V HN 0.837 nan 8.190 nan 0.000 0.437 235 E N 1.136 121.419 120.200 0.139 0.000 2.381 235 E HA 0.548 4.898 4.350 0.000 0.000 0.286 235 E C -1.886 174.672 176.600 -0.069 0.000 0.960 235 E CA -0.661 55.780 56.400 0.070 0.000 0.793 235 E CB 2.999 32.754 29.700 0.092 0.000 1.225 235 E HN 0.545 nan 8.360 nan 0.000 0.420 236 I N 0.097 120.582 120.570 -0.142 0.000 2.545 236 I HA 0.503 4.673 4.170 0.000 0.000 0.292 236 I C -0.667 175.300 176.117 -0.250 0.000 1.040 236 I CA -0.826 60.286 61.300 -0.313 0.000 1.068 236 I CB 1.870 39.602 38.000 -0.446 0.000 1.251 236 I HN 0.337 nan 8.210 nan 0.000 0.424 237 D N 4.609 124.835 120.400 -0.289 0.000 2.692 237 D HA -0.188 4.452 4.640 0.000 0.000 0.233 237 D C 1.302 177.442 176.300 -0.267 0.000 1.172 237 D CA 1.978 55.834 54.000 -0.240 0.000 0.636 237 D CB -1.089 39.626 40.800 -0.141 0.000 1.028 237 D HN 1.389 nan 8.370 nan 0.000 0.419 238 G N -1.262 107.306 108.800 -0.387 0.000 2.212 238 G HA2 -0.315 3.645 3.960 0.000 0.000 0.266 238 G HA3 -0.315 3.645 3.960 0.000 0.000 0.266 238 G C 0.269 175.135 174.900 -0.057 0.000 0.978 238 G CA 0.254 45.157 45.100 -0.329 0.000 0.632 238 G HN 0.485 nan 8.290 nan 0.000 0.537 239 I N 2.701 123.244 120.570 -0.046 0.000 2.306 239 I HA 0.279 4.449 4.170 0.000 0.000 0.288 239 I C 0.889 177.032 176.117 0.044 0.000 1.036 239 I CA -0.445 60.867 61.300 0.021 0.000 1.221 239 I CB 0.263 38.264 38.000 0.002 0.000 1.385 239 I HN -0.029 nan 8.210 nan 0.000 0.472 240 T N 4.960 119.568 114.554 0.090 0.000 2.908 240 T HA 0.097 4.447 4.350 0.000 0.000 0.301 240 T C 0.622 175.393 174.700 0.118 0.000 1.019 240 T CA 0.515 62.675 62.100 0.101 0.000 1.152 240 T CB 0.588 69.449 68.868 -0.013 0.000 0.966 240 T HN 0.694 nan 8.240 nan 0.000 0.540 241 T N 2.343 116.985 114.554 0.147 0.000 2.942 241 T HA 0.304 4.654 4.350 0.000 0.000 0.289 241 T C -0.454 174.405 174.700 0.265 0.000 1.044 241 T CA -1.036 61.166 62.100 0.170 0.000 1.023 241 T CB 0.912 69.852 68.868 0.120 0.000 1.123 241 T HN 0.471 nan 8.240 nan 0.000 0.512 242 E N 2.332 122.681 120.200 0.249 0.000 2.373 242 E HA 0.139 4.489 4.350 0.000 0.000 0.267 242 E C -0.008 176.687 176.600 0.158 0.000 1.032 242 E CA -0.185 56.380 56.400 0.275 0.000 0.889 242 E CB 0.615 30.426 29.700 0.184 0.000 0.984 242 E HN 0.504 nan 8.360 nan 0.000 0.425 243 K N 2.580 123.026 120.400 0.075 0.000 2.473 243 K HA -0.047 4.273 4.320 0.000 0.000 0.277 243 K C 0.274 176.885 176.600 0.018 0.000 1.052 243 K CA 0.440 56.686 56.287 -0.069 0.000 1.114 243 K CB 0.137 32.538 32.500 -0.165 0.000 0.869 243 K HN 0.276 nan 8.250 nan 0.000 0.481 244 N N 2.944 121.667 118.700 0.038 0.000 2.461 244 N HA 0.147 4.887 4.740 0.000 0.000 0.284 244 N C -1.324 174.231 175.510 0.074 0.000 1.049 244 N CA -0.447 52.646 53.050 0.072 0.000 0.889 244 N CB 1.495 40.050 38.487 0.113 0.000 1.365 244 N HN 0.104 nan 8.380 nan 0.000 0.499 245 V N 2.980 122.931 119.914 0.061 0.000 2.498 245 V HA 0.466 4.586 4.120 0.000 0.000 0.279 245 V C 0.671 176.814 176.094 0.082 0.000 1.048 245 V CA -0.083 62.258 62.300 0.067 0.000 0.967 245 V CB 0.946 32.799 31.823 0.049 0.000 0.988 245 V HN 0.819 nan 8.190 nan 0.000 0.473 246 T N 0.086 114.700 114.554 0.101 0.000 2.838 246 T HA 0.447 4.797 4.350 0.000 0.000 0.292 246 T C 0.020 174.787 174.700 0.113 0.000 1.113 246 T CA -0.730 61.432 62.100 0.105 0.000 1.008 246 T CB 2.194 71.143 68.868 0.134 0.000 1.259 246 T HN 0.439 nan 8.240 nan 0.000 0.520 247 D N -0.423 120.036 120.400 0.100 0.000 2.392 247 D HA 0.241 4.881 4.640 0.000 0.000 0.206 247 D C 0.206 176.598 176.300 0.154 0.000 1.046 247 D CA 0.472 54.533 54.000 0.102 0.000 0.865 247 D CB 0.652 41.469 40.800 0.028 0.000 0.969 247 D HN 0.404 nan 8.370 nan 0.000 0.509 248 M N 0.832 120.537 119.600 0.175 0.000 2.413 248 M HA 0.317 4.797 4.480 0.000 0.000 0.287 248 M C -2.032 174.446 176.300 0.297 0.000 1.186 248 M CA -0.490 54.965 55.300 0.259 0.000 0.927 248 M CB 2.690 35.392 32.600 0.171 0.000 1.715 248 M HN -0.277 nan 8.290 nan 0.000 0.478 249 L N 2.942 124.340 121.223 0.291 0.000 2.342 249 L HA 0.516 4.856 4.340 0.000 0.000 0.271 249 L C -1.472 175.451 176.870 0.089 0.000 1.008 249 L CA -0.902 53.995 54.840 0.094 0.000 0.818 249 L CB 1.995 43.943 42.059 -0.185 0.000 1.296 249 L HN 0.625 nan 8.230 nan 0.000 0.427 250 Y N 3.571 123.740 120.300 -0.219 0.000 2.356 250 Y HA 0.585 5.135 4.550 0.000 0.000 0.334 250 Y C -0.713 174.983 175.900 -0.340 0.000 0.958 250 Y CA -0.579 57.212 58.100 -0.515 0.000 1.196 250 Y CB 0.842 38.625 38.460 -1.129 0.000 1.137 250 Y HN 0.338 nan 8.280 nan 0.000 0.485 251 I N 6.800 126.954 120.570 -0.693 0.000 2.382 251 I HA 0.245 4.415 4.170 0.000 0.000 0.285 251 I C 0.282 176.057 176.117 -0.571 0.000 1.007 251 I CA -0.749 60.291 61.300 -0.434 0.000 1.142 251 I CB 1.675 39.467 38.000 -0.347 0.000 1.289 251 I HN 0.656 nan 8.210 nan 0.000 0.453 252 T N 3.310 117.641 114.554 -0.372 0.000 2.788 252 T HA 0.400 4.750 4.350 0.000 0.000 0.287 252 T C 0.502 175.043 174.700 -0.265 0.000 1.007 252 T CA -0.788 61.120 62.100 -0.320 0.000 1.005 252 T CB 1.322 70.162 68.868 -0.047 0.000 1.012 252 T HN 0.376 nan 8.240 nan 0.000 0.530 253 V N -0.242 119.537 119.914 -0.224 0.000 2.788 253 V HA 0.463 4.583 4.120 0.000 0.000 0.307 253 V C 1.525 177.418 176.094 -0.334 0.000 1.069 253 V CA 0.034 62.181 62.300 -0.255 0.000 1.173 253 V CB -0.774 30.990 31.823 -0.097 0.000 0.925 253 V HN 2.257 nan 8.190 nan 0.000 0.492 254 A N 1.475 123.961 122.820 -0.556 0.000 3.737 254 A HA -0.201 4.119 4.320 0.000 0.000 0.260 254 A C 0.728 178.012 177.584 -0.500 0.000 1.021 254 A CA 1.403 53.067 52.037 -0.621 0.000 1.356 254 A CB -2.489 16.022 19.000 -0.815 0.000 1.043 254 A HN 1.518 nan 8.150 nan 0.000 0.877 255 Q N -0.706 118.890 119.800 -0.341 0.000 2.260 255 Q HA 0.730 5.070 4.340 0.000 0.000 0.238 255 Q C -0.354 175.467 176.000 -0.299 0.000 0.948 255 Q CA -0.621 55.044 55.803 -0.230 0.000 0.895 255 Q CB 0.680 29.379 28.738 -0.066 0.000 1.218 255 Q HN 0.443 nan 8.270 nan 0.000 0.470 256 R N 0.839 121.172 120.500 -0.277 0.000 2.513 256 R HA 0.391 4.731 4.340 0.000 0.000 0.301 256 R C -1.611 174.532 176.300 -0.262 0.000 0.968 256 R CA -0.324 55.613 56.100 -0.271 0.000 0.872 256 R CB 1.186 31.301 30.300 -0.307 0.000 1.177 256 R HN 0.580 nan 8.270 nan 0.000 0.444 257 Y N 0.830 121.004 120.300 -0.212 0.000 2.328 257 Y HA 0.396 4.946 4.550 0.000 0.000 0.337 257 Y C 0.265 176.069 175.900 -0.160 0.000 0.966 257 Y CA -0.582 57.436 58.100 -0.138 0.000 1.136 257 Y CB 2.308 40.710 38.460 -0.097 0.000 1.170 257 Y HN 0.413 nan 8.280 nan 0.000 0.470 258 T N 3.945 118.495 114.554 -0.006 0.000 2.795 258 T HA 0.586 4.936 4.350 0.000 0.000 0.282 258 T C -0.865 173.857 174.700 0.036 0.000 0.980 258 T CA -0.534 61.543 62.100 -0.039 0.000 1.012 258 T CB 1.028 69.850 68.868 -0.077 0.000 0.936 258 T HN 0.317 nan 8.240 nan 0.000 0.457 259 V N 4.451 124.373 119.914 0.013 0.000 2.760 259 V HA 0.449 4.569 4.120 0.000 0.000 0.309 259 V C -0.613 175.518 176.094 0.061 0.000 1.077 259 V CA -0.902 61.435 62.300 0.062 0.000 0.910 259 V CB 2.137 34.009 31.823 0.082 0.000 1.008 259 V HN 0.739 nan 8.190 nan 0.000 0.424 260 L N 4.954 126.225 121.223 0.081 0.000 2.326 260 L HA 0.634 4.974 4.340 0.000 0.000 0.278 260 L C -0.703 176.271 176.870 0.173 0.000 1.092 260 L CA -0.469 54.442 54.840 0.118 0.000 0.810 260 L CB 1.588 43.698 42.059 0.085 0.000 1.153 260 L HN 0.339 nan 8.230 nan 0.000 0.439 261 V N 1.991 122.056 119.914 0.252 0.000 2.525 261 V HA 0.241 4.361 4.120 0.000 0.000 0.299 261 V C -0.911 175.405 176.094 0.370 0.000 1.034 261 V CA -0.679 61.799 62.300 0.297 0.000 0.863 261 V CB 1.678 33.693 31.823 0.320 0.000 0.999 261 V HN 0.619 nan 8.190 nan 0.000 0.423 262 H N 3.047 122.247 119.070 0.218 0.000 2.504 262 H HA 0.615 5.171 4.556 0.000 0.000 0.322 262 H C 0.369 175.838 175.328 0.235 0.000 1.055 262 H CA -0.134 56.035 56.048 0.202 0.000 1.231 262 H CB 1.401 31.242 29.762 0.132 0.000 1.417 262 H HN 0.796 nan 8.280 nan 0.000 0.472 263 T N 2.348 116.822 114.554 -0.133 0.000 2.868 263 T HA 0.283 4.633 4.350 0.000 0.000 0.292 263 T C 0.214 174.854 174.700 -0.100 0.000 1.028 263 T CA -1.079 61.035 62.100 0.024 0.000 1.059 263 T CB 0.924 69.806 68.868 0.024 0.000 0.991 263 T HN 0.649 nan 8.240 nan 0.000 0.531 264 K N 1.740 122.212 120.400 0.120 0.000 2.117 264 K HA 0.286 4.606 4.320 0.000 0.000 0.240 264 K C 0.449 177.070 176.600 0.034 0.000 1.031 264 K CA -0.933 55.334 56.287 -0.034 0.000 0.909 264 K CB 0.311 32.701 32.500 -0.183 0.000 1.097 264 K HN 0.343 nan 8.250 nan 0.000 0.492 265 N N 0.560 119.257 118.700 -0.005 0.000 2.409 265 N HA -0.040 4.700 4.740 0.000 0.000 0.179 265 N C -0.597 174.928 175.510 0.025 0.000 1.032 265 N CA 0.809 53.873 53.050 0.023 0.000 0.898 265 N CB 0.018 38.516 38.487 0.018 0.000 0.971 265 N HN 0.474 nan 8.380 nan 0.000 0.441 266 D N -0.154 120.229 120.400 -0.027 0.000 2.249 266 D HA 0.129 4.769 4.640 0.000 0.000 0.246 266 D C 0.276 176.551 176.300 -0.041 0.000 1.114 266 D CA 0.181 54.157 54.000 -0.041 0.000 0.854 266 D CB 1.204 41.961 40.800 -0.071 0.000 1.132 266 D HN 0.101 nan 8.370 nan 0.000 0.461 267 T N -0.978 113.605 114.554 0.048 0.000 3.312 267 T HA -0.034 4.316 4.350 0.000 0.000 0.251 267 T C 1.143 175.867 174.700 0.041 0.000 1.012 267 T CA -0.435 61.738 62.100 0.121 0.000 0.925 267 T CB 0.097 69.038 68.868 0.122 0.000 1.049 267 T HN 0.457 nan 8.240 nan 0.000 0.583 268 D N 0.309 120.690 120.400 -0.032 0.000 2.240 268 D HA -0.004 4.636 4.640 0.000 0.000 0.206 268 D C 0.707 176.952 176.300 -0.091 0.000 0.963 268 D CA 0.381 54.350 54.000 -0.051 0.000 0.863 268 D CB 0.355 41.121 40.800 -0.057 0.000 0.973 268 D HN 0.101 nan 8.370 nan 0.000 0.501 269 K N 0.572 120.880 120.400 -0.155 0.000 2.385 269 K HA 0.344 4.664 4.320 0.000 0.000 0.248 269 K C -0.914 175.506 176.600 -0.300 0.000 0.955 269 K CA -0.700 55.416 56.287 -0.285 0.000 0.816 269 K CB 2.075 34.311 32.500 -0.439 0.000 1.250 269 K HN -0.016 nan 8.250 nan 0.000 0.434 270 N N 1.353 119.857 118.700 -0.328 0.000 2.430 270 N HA 0.485 5.225 4.740 0.000 0.000 0.298 270 N C -0.874 174.405 175.510 -0.385 0.000 1.130 270 N CA -0.198 52.766 53.050 -0.143 0.000 0.894 270 N CB 0.816 39.271 38.487 -0.053 0.000 1.209 270 N HN 0.261 nan 8.380 nan 0.000 0.503 271 F N 0.022 120.038 119.950 0.110 0.000 2.563 271 F HA 0.583 5.110 4.527 0.000 0.000 0.316 271 F C 0.358 176.200 175.800 0.069 0.000 1.076 271 F CA -1.137 56.923 58.000 0.101 0.000 0.921 271 F CB 1.437 40.548 39.000 0.186 0.000 1.209 271 F HN 0.354 nan 8.300 nan 0.000 0.462 272 A N 3.193 126.142 122.820 0.215 0.000 2.320 272 A HA 0.659 4.979 4.320 0.000 0.000 0.287 272 A C -0.501 177.041 177.584 -0.070 0.000 1.181 272 A CA -0.386 51.689 52.037 0.064 0.000 0.831 272 A CB -0.136 18.861 19.000 -0.006 0.000 1.102 272 A HN 0.702 nan 8.150 nan 0.000 0.513 273 I N 2.825 123.303 120.570 -0.153 0.000 2.312 273 I HA 0.256 4.426 4.170 0.000 0.000 0.291 273 I C -0.039 175.752 176.117 -0.544 0.000 1.031 273 I CA 0.053 61.152 61.300 -0.335 0.000 1.293 273 I CB 1.174 39.072 38.000 -0.170 0.000 1.403 273 I HN 0.642 nan 8.210 nan 0.000 0.484 274 M N 7.195 126.233 119.600 -0.937 0.000 2.294 274 M HA 0.352 4.832 4.480 0.000 0.000 0.335 274 M C -0.841 174.834 176.300 -1.043 0.000 1.079 274 M CA -0.187 54.454 55.300 -1.097 0.000 0.982 274 M CB 1.577 33.093 32.600 -1.806 0.000 1.651 274 M HN 0.520 nan 8.290 nan 0.000 0.437 275 Q N 3.133 122.587 119.800 -0.576 0.000 2.375 275 Q HA 0.670 5.011 4.340 0.000 0.000 0.271 275 Q C -1.443 174.467 176.000 -0.150 0.000 1.074 275 Q CA -1.097 54.541 55.803 -0.275 0.000 0.808 275 Q CB 2.725 31.391 28.738 -0.120 0.000 1.327 275 Q HN 0.589 nan 8.270 nan 0.000 0.441 276 K N 2.523 122.950 120.400 0.045 0.000 2.464 276 K HA 0.392 4.712 4.320 0.000 0.000 0.253 276 K C -1.408 175.324 176.600 0.220 0.000 0.933 276 K CA -0.785 55.625 56.287 0.205 0.000 0.801 276 K CB 1.629 34.374 32.500 0.409 0.000 1.271 276 K HN 0.580 nan 8.250 nan 0.000 0.430 277 F N 1.698 121.708 119.950 0.100 0.000 2.553 277 F HA -0.048 4.479 4.527 0.000 0.000 0.356 277 F C 1.141 177.028 175.800 0.145 0.000 1.142 277 F CA 0.503 58.522 58.000 0.032 0.000 1.322 277 F CB 0.492 39.486 39.000 -0.011 0.000 1.126 277 F HN 0.495 nan 8.300 nan 0.000 0.599 278 D N 2.743 123.277 120.400 0.224 0.000 2.483 278 D HA 0.044 4.684 4.640 0.000 0.000 0.220 278 D C 0.559 176.964 176.300 0.175 0.000 1.173 278 D CA -0.435 53.707 54.000 0.236 0.000 0.964 278 D CB 0.028 40.862 40.800 0.056 0.000 1.046 278 D HN 0.491 nan 8.370 nan 0.000 0.517 279 D N 0.713 121.226 120.400 0.188 0.000 2.350 279 D HA -0.139 4.501 4.640 0.000 0.000 0.216 279 D C 1.471 177.804 176.300 0.054 0.000 0.968 279 D CA 0.532 54.572 54.000 0.067 0.000 0.894 279 D CB -0.176 40.636 40.800 0.019 0.000 0.909 279 D HN 0.229 nan 8.370 nan 0.000 0.520 280 T N 0.307 114.913 114.554 0.087 0.000 2.737 280 T HA -0.151 4.199 4.350 0.000 0.000 0.269 280 T C 1.686 176.433 174.700 0.078 0.000 1.040 280 T CA 1.409 63.558 62.100 0.080 0.000 1.142 280 T CB -0.250 68.671 68.868 0.089 0.000 0.861 280 T HN 0.284 nan 8.240 nan 0.000 0.456 281 M N 0.213 119.847 119.600 0.056 0.000 2.492 281 M HA 0.166 4.646 4.480 0.000 0.000 0.262 281 M C 0.203 176.611 176.300 0.179 0.000 1.090 281 M CA 0.563 55.913 55.300 0.083 0.000 1.110 281 M CB -0.235 32.329 32.600 -0.061 0.000 1.407 281 M HN 0.128 nan 8.290 nan 0.000 0.470 282 L N 0.947 122.226 121.223 0.094 0.000 2.331 282 L HA 0.045 4.385 4.340 0.000 0.000 0.278 282 L C 1.084 178.028 176.870 0.122 0.000 1.106 282 L CA -0.373 54.544 54.840 0.129 0.000 0.824 282 L CB 0.652 42.704 42.059 -0.012 0.000 1.142 282 L HN 0.091 nan 8.230 nan 0.000 0.443 283 D N 2.262 122.747 120.400 0.142 0.000 2.084 283 D HA -0.123 4.517 4.640 0.000 0.000 0.194 283 D C 0.293 176.625 176.300 0.053 0.000 0.990 283 D CA 1.278 55.336 54.000 0.096 0.000 0.826 283 D CB 0.418 41.267 40.800 0.082 0.000 0.971 283 D HN 0.251 nan 8.370 nan 0.000 0.453 284 V N -1.985 117.947 119.914 0.030 0.000 3.040 284 V HA 0.503 4.623 4.120 0.000 0.000 0.312 284 V C -0.350 175.727 176.094 -0.028 0.000 1.115 284 V CA -1.146 61.156 62.300 0.004 0.000 0.998 284 V CB 2.034 33.857 31.823 -0.000 0.000 1.042 284 V HN 0.013 nan 8.190 nan 0.000 0.433 285 I N 3.913 124.457 120.570 -0.043 0.000 2.306 285 I HA 0.420 4.590 4.170 0.000 0.000 0.288 285 I C -2.046 174.026 176.117 -0.074 0.000 1.036 285 I CA -1.613 59.636 61.300 -0.084 0.000 1.221 285 I CB 1.478 39.429 38.000 -0.081 0.000 1.385 285 I HN 0.578 nan 8.210 nan 0.000 0.472 286 P HA 0.048 nan 4.420 nan 0.000 0.268 286 P C 0.764 178.025 177.300 -0.065 0.000 1.205 286 P CA -0.153 62.907 63.100 -0.068 0.000 0.771 286 P CB 0.912 32.566 31.700 -0.077 0.000 0.858 287 S N 0.441 116.116 115.700 -0.042 0.000 2.515 287 S HA -0.131 4.339 4.470 0.000 0.000 0.231 287 S C 1.068 175.651 174.600 -0.027 0.000 0.987 287 S CA 0.874 59.055 58.200 -0.031 0.000 0.936 287 S CB -0.527 62.662 63.200 -0.019 0.000 0.766 287 S HN 0.630 nan 8.310 nan 0.000 0.528 288 D N 0.518 120.898 120.400 -0.033 0.000 2.379 288 D HA 0.085 4.725 4.640 0.000 0.000 0.208 288 D C 0.556 176.838 176.300 -0.031 0.000 1.065 288 D CA -0.449 53.538 54.000 -0.022 0.000 0.848 288 D CB -0.440 40.352 40.800 -0.014 0.000 0.949 288 D HN 0.422 nan 8.370 nan 0.000 0.509 289 L N 2.472 123.656 121.223 -0.065 0.000 2.500 289 L HA 0.104 4.444 4.340 0.000 0.000 0.272 289 L C -0.001 176.834 176.870 -0.059 0.000 1.149 289 L CA 0.057 54.841 54.840 -0.094 0.000 0.897 289 L CB 0.528 42.466 42.059 -0.202 0.000 1.178 289 L HN -0.138 nan 8.230 nan 0.000 0.473 290 Q N 5.855 125.657 119.800 0.005 0.000 2.301 290 Q HA 0.031 4.371 4.340 0.000 0.000 0.262 290 Q C 0.991 177.060 176.000 0.114 0.000 1.168 290 Q CA 0.401 56.237 55.803 0.055 0.000 0.908 290 Q CB 0.720 29.501 28.738 0.072 0.000 1.348 290 Q HN 0.821 nan 8.270 nan 0.000 0.441 291 L N 1.916 123.191 121.223 0.087 0.000 2.156 291 L HA -0.182 4.158 4.340 0.000 0.000 0.208 291 L C 0.218 177.280 176.870 0.320 0.000 1.095 291 L CA 0.933 55.879 54.840 0.177 0.000 0.770 291 L CB -0.057 42.054 42.059 0.085 0.000 0.914 291 L HN 0.526 nan 8.230 nan 0.000 0.439 292 N N -0.246 118.563 118.700 0.181 0.000 2.284 292 N HA 0.589 5.329 4.740 0.000 0.000 0.300 292 N C -0.931 174.594 175.510 0.025 0.000 1.047 292 N CA -0.488 52.630 53.050 0.113 0.000 0.821 292 N CB 1.779 40.339 38.487 0.121 0.000 1.337 292 N HN -0.034 nan 8.380 nan 0.000 0.482 293 A N 0.827 123.613 122.820 -0.057 0.000 2.342 293 A HA 0.760 5.080 4.320 0.000 0.000 0.323 293 A C -0.678 176.786 177.584 -0.201 0.000 1.125 293 A CA -0.610 51.365 52.037 -0.105 0.000 0.785 293 A CB 0.796 19.733 19.000 -0.105 0.000 1.221 293 A HN 0.618 nan 8.150 nan 0.000 0.463 294 T N 1.955 116.391 114.554 -0.196 0.000 2.779 294 T HA 0.609 4.959 4.350 0.000 0.000 0.280 294 T C 0.173 174.625 174.700 -0.413 0.000 0.987 294 T CA -0.193 61.756 62.100 -0.252 0.000 0.966 294 T CB 1.249 70.039 68.868 -0.131 0.000 0.933 294 T HN 0.577 nan 8.240 nan 0.000 0.442 295 S N 1.292 116.711 115.700 -0.470 0.000 2.759 295 S HA 0.705 5.175 4.470 0.000 0.000 0.310 295 S C -1.419 172.877 174.600 -0.507 0.000 1.123 295 S CA -0.806 56.969 58.200 -0.708 0.000 0.959 295 S CB 0.840 63.801 63.200 -0.397 0.000 1.172 295 S HN 0.657 nan 8.310 nan 0.000 0.539 296 Y N 0.779 121.073 120.300 -0.009 0.000 2.326 296 Y HA 0.485 5.035 4.550 0.000 0.000 0.329 296 Y C -0.118 175.812 175.900 0.050 0.000 0.973 296 Y CA -0.635 57.471 58.100 0.010 0.000 1.162 296 Y CB 1.033 39.490 38.460 -0.004 0.000 1.147 296 Y HN 0.389 nan 8.280 nan 0.000 0.456 297 M N 4.872 124.585 119.600 0.189 0.000 2.135 297 M HA 0.390 4.870 4.480 0.000 0.000 0.345 297 M C -1.550 174.783 176.300 0.056 0.000 1.340 297 M CA -0.529 54.790 55.300 0.032 0.000 1.162 297 M CB 0.229 32.794 32.600 -0.058 0.000 1.570 297 M HN 0.498 nan 8.290 nan 0.000 0.454 298 V N 6.968 126.841 119.914 -0.068 0.000 2.333 298 V HA 0.121 4.241 4.120 0.000 0.000 0.274 298 V C -0.240 175.796 176.094 -0.098 0.000 1.028 298 V CA -0.183 62.111 62.300 -0.009 0.000 0.851 298 V CB 0.832 32.656 31.823 0.002 0.000 1.000 298 V HN 0.837 nan 8.190 nan 0.000 0.456 299 Y N 2.221 122.494 120.300 -0.047 0.000 2.347 299 Y HA 0.180 4.730 4.550 0.000 0.000 0.294 299 Y C 1.444 177.326 175.900 -0.031 0.000 1.117 299 Y CA 0.612 58.691 58.100 -0.035 0.000 1.184 299 Y CB 0.435 38.917 38.460 0.038 0.000 1.047 299 Y HN 0.546 nan 8.280 nan 0.000 0.546 300 N N 0.357 119.133 118.700 0.127 0.000 2.491 300 N HA 0.101 4.841 4.740 0.000 0.000 0.274 300 N C 0.077 175.592 175.510 0.010 0.000 1.023 300 N CA -0.092 52.989 53.050 0.051 0.000 0.902 300 N CB 1.159 39.666 38.487 0.034 0.000 1.267 300 N HN 0.080 nan 8.380 nan 0.000 0.503 301 K N 0.999 121.399 120.400 0.000 0.000 2.360 301 K HA -0.025 4.295 4.320 0.000 0.000 0.201 301 K C 0.576 177.161 176.600 -0.025 0.000 1.046 301 K CA 1.275 57.554 56.287 -0.013 0.000 0.945 301 K CB 0.319 32.814 32.500 -0.008 0.000 0.750 301 K HN 0.531 nan 8.250 nan 0.000 0.464 302 T N -0.383 114.157 114.554 -0.023 0.000 3.001 302 T HA 0.203 4.553 4.350 0.000 0.000 0.251 302 T C 0.755 175.430 174.700 -0.043 0.000 1.040 302 T CA -0.087 61.995 62.100 -0.031 0.000 0.985 302 T CB 0.436 69.291 68.868 -0.022 0.000 1.011 302 T HN 0.150 nan 8.240 nan 0.000 0.509 303 A N 1.644 124.436 122.820 -0.047 0.000 2.292 303 A HA 0.770 5.090 4.320 0.000 0.000 0.265 303 A C 0.717 178.246 177.584 -0.091 0.000 1.133 303 A CA -0.397 51.601 52.037 -0.064 0.000 0.807 303 A CB -0.313 18.649 19.000 -0.064 0.000 1.102 303 A HN 0.486 nan 8.150 nan 0.000 0.502 304 A N -0.162 122.596 122.820 -0.104 0.000 2.488 304 A HA 0.484 4.804 4.320 0.000 0.000 0.249 304 A C 0.230 177.712 177.584 -0.170 0.000 1.083 304 A CA -0.279 51.683 52.037 -0.125 0.000 0.768 304 A CB -0.528 18.405 19.000 -0.111 0.000 1.017 304 A HN 0.706 nan 8.150 nan 0.000 0.496 305 L N 4.462 125.546 121.223 -0.232 0.000 2.490 305 L HA 0.178 4.518 4.340 0.000 0.000 0.274 305 L C -1.546 175.157 176.870 -0.279 0.000 1.201 305 L CA -1.255 53.352 54.840 -0.389 0.000 0.869 305 L CB 0.151 41.825 42.059 -0.642 0.000 1.123 305 L HN 0.567 nan 8.230 nan 0.000 0.484 306 P HA 0.077 nan 4.420 nan 0.000 0.271 306 P C -0.296 176.999 177.300 -0.010 0.000 1.216 306 P CA -0.341 62.718 63.100 -0.068 0.000 0.776 306 P CB 0.590 32.309 31.700 0.031 0.000 0.881 307 T N -0.334 114.198 114.554 -0.035 0.000 2.788 307 T HA 0.129 4.479 4.350 0.000 0.000 0.280 307 T C 0.423 175.082 174.700 -0.069 0.000 0.984 307 T CA -0.801 61.278 62.100 -0.035 0.000 0.972 307 T CB 0.388 69.229 68.868 -0.045 0.000 1.039 307 T HN 0.481 nan 8.240 nan 0.000 0.530 308 Q N 1.120 120.832 119.800 -0.147 0.000 2.315 308 Q HA -0.059 4.281 4.340 0.000 0.000 0.289 308 Q C -0.011 175.794 176.000 -0.326 0.000 1.044 308 Q CA 0.096 55.739 55.803 -0.267 0.000 0.920 308 Q CB 0.250 28.745 28.738 -0.406 0.000 1.214 308 Q HN 0.702 nan 8.270 nan 0.000 0.392 309 N N 4.386 122.982 118.700 -0.174 0.000 2.437 309 N HA 0.068 4.808 4.740 0.000 0.000 0.243 309 N C -1.390 174.179 175.510 0.098 0.000 1.041 309 N CA -0.100 52.953 53.050 0.005 0.000 0.940 309 N CB 0.362 38.963 38.487 0.190 0.000 1.133 309 N HN 0.468 nan 8.380 nan 0.000 0.506 310 Y N 2.078 122.488 120.300 0.182 0.000 2.377 310 Y HA 0.163 4.713 4.550 0.000 0.000 0.330 310 Y C 0.645 176.606 175.900 0.101 0.000 1.108 310 Y CA -0.401 57.785 58.100 0.143 0.000 1.308 310 Y CB 1.221 39.726 38.460 0.075 0.000 1.216 310 Y HN 0.162 nan 8.280 nan 0.000 0.518 311 V N 3.328 123.367 119.914 0.209 0.000 2.715 311 V HA 0.092 4.213 4.120 0.000 0.000 0.310 311 V C 0.110 176.160 176.094 -0.072 0.000 1.054 311 V CA -0.407 61.852 62.300 -0.067 0.000 0.928 311 V CB 2.037 33.561 31.823 -0.498 0.000 1.007 311 V HN 0.932 nan 8.190 nan 0.000 0.437 312 D N 2.427 122.766 120.400 -0.102 0.000 2.234 312 D HA 0.046 4.686 4.640 0.000 0.000 0.205 312 D C 0.561 176.799 176.300 -0.104 0.000 0.962 312 D CA 1.254 55.206 54.000 -0.080 0.000 0.855 312 D CB 0.354 41.114 40.800 -0.067 0.000 0.951 312 D HN 0.538 nan 8.370 nan 0.000 0.500 313 S N -1.017 114.589 115.700 -0.157 0.000 2.533 313 S HA 0.311 4.781 4.470 0.000 0.000 0.271 313 S C -0.307 174.161 174.600 -0.219 0.000 1.143 313 S CA -0.908 57.202 58.200 -0.151 0.000 0.891 313 S CB 0.922 64.054 63.200 -0.113 0.000 1.105 313 S HN 0.214 nan 8.310 nan 0.000 0.468 314 I N 0.274 120.717 120.570 -0.211 0.000 3.816 314 I HA 0.602 4.772 4.170 0.000 0.000 0.334 314 I C -0.307 175.834 176.117 0.040 0.000 1.551 314 I CA -0.345 60.780 61.300 -0.292 0.000 1.153 314 I CB 0.233 37.822 38.000 -0.686 0.000 1.197 314 I HN 0.305 nan 8.210 nan 0.000 0.439 315 D N 0.949 121.359 120.400 0.016 0.000 2.398 315 D HA 0.106 4.746 4.640 0.000 0.000 0.210 315 D C 0.600 176.763 176.300 -0.228 0.000 1.094 315 D CA 0.287 54.284 54.000 -0.004 0.000 0.839 315 D CB 0.255 41.031 40.800 -0.041 0.000 0.963 315 D HN 0.360 nan 8.370 nan 0.000 0.506 316 N N 0.645 119.253 118.700 -0.153 0.000 2.234 316 N HA 0.072 4.812 4.740 0.000 0.000 0.227 316 N C 0.117 175.544 175.510 -0.138 0.000 1.151 316 N CA -0.310 52.621 53.050 -0.198 0.000 0.865 316 N CB 0.241 38.659 38.487 -0.114 0.000 1.066 316 N HN 0.176 nan 8.380 nan 0.000 0.515 317 F N 0.195 120.191 119.950 0.076 0.000 2.539 317 F HA 0.241 4.768 4.527 0.000 0.000 0.340 317 F C 0.875 176.765 175.800 0.150 0.000 1.185 317 F CA -1.403 56.681 58.000 0.139 0.000 1.333 317 F CB 0.238 39.391 39.000 0.256 0.000 1.152 317 F HN -0.162 nan 8.300 nan 0.000 0.602 318 L N 2.449 123.881 121.223 0.348 0.000 2.559 318 L HA 0.075 4.415 4.340 0.000 0.000 0.274 318 L C -0.123 177.009 176.870 0.436 0.000 1.205 318 L CA 0.431 55.450 54.840 0.298 0.000 0.907 318 L CB -0.293 41.941 42.059 0.292 0.000 1.153 318 L HN 0.722 nan 8.230 nan 0.000 0.490 319 D N 3.941 124.547 120.400 0.342 0.000 2.393 319 D HA 0.010 4.650 4.640 0.000 0.000 0.232 319 D C 0.726 177.317 176.300 0.485 0.000 1.192 319 D CA -0.203 54.072 54.000 0.459 0.000 0.882 319 D CB 0.725 41.786 40.800 0.435 0.000 1.038 319 D HN 0.702 nan 8.370 nan 0.000 0.499 320 D N 3.048 123.728 120.400 0.467 0.000 2.309 320 D HA -0.241 4.399 4.640 0.000 0.000 0.212 320 D C 1.704 178.146 176.300 0.237 0.000 0.968 320 D CA 0.171 54.390 54.000 0.366 0.000 0.882 320 D CB -0.534 40.490 40.800 0.374 0.000 0.918 320 D HN 0.452 nan 8.370 nan 0.000 0.503 321 F N 0.807 120.804 119.950 0.078 0.000 2.250 321 F HA -0.180 4.347 4.527 0.000 0.000 0.301 321 F C 1.217 176.880 175.800 -0.227 0.000 1.077 321 F CA 1.090 59.011 58.000 -0.131 0.000 1.348 321 F CB -0.184 38.654 39.000 -0.271 0.000 1.040 321 F HN -0.146 nan 8.300 nan 0.000 0.509 322 Y N -0.367 120.025 120.300 0.153 0.000 2.457 322 Y HA 0.196 4.746 4.550 0.000 0.000 0.263 322 Y C 0.416 176.338 175.900 0.036 0.000 1.164 322 Y CA -0.826 57.318 58.100 0.073 0.000 1.274 322 Y CB -0.255 38.306 38.460 0.169 0.000 1.097 322 Y HN -0.186 nan 8.280 nan 0.000 0.523 323 L N 1.199 122.502 121.223 0.134 0.000 2.483 323 L HA 0.029 4.369 4.340 0.000 0.000 0.276 323 L C -0.033 176.861 176.870 0.039 0.000 1.213 323 L CA 0.186 55.087 54.840 0.101 0.000 0.843 323 L CB 0.414 42.527 42.059 0.091 0.000 1.107 323 L HN 0.254 nan 8.230 nan 0.000 0.487 324 Q N 4.364 124.201 119.800 0.061 0.000 2.363 324 Q HA 0.360 4.700 4.340 0.000 0.000 0.265 324 Q C -2.282 173.750 176.000 0.053 0.000 1.032 324 Q CA -1.975 53.853 55.803 0.041 0.000 0.746 324 Q CB 1.469 30.234 28.738 0.046 0.000 1.237 324 Q HN 0.385 nan 8.270 nan 0.000 0.475 325 P HA -0.167 nan 4.420 nan 0.000 0.263 325 P C -0.379 176.964 177.300 0.072 0.000 1.175 325 P CA 0.461 63.594 63.100 0.055 0.000 0.761 325 P CB 0.395 32.110 31.700 0.025 0.000 0.794 326 Y N 3.379 123.663 120.300 -0.026 0.000 2.200 326 Y HA -0.119 4.431 4.550 0.000 0.000 0.290 326 Y C 0.827 176.687 175.900 -0.067 0.000 1.137 326 Y CA 1.416 59.480 58.100 -0.059 0.000 1.163 326 Y CB 0.112 38.509 38.460 -0.104 0.000 0.988 326 Y HN 0.357 nan 8.280 nan 0.000 0.518 327 E N 2.368 122.590 120.200 0.037 0.000 1.941 327 E HA 0.081 4.431 4.350 0.000 0.000 0.275 327 E C -0.544 176.032 176.600 -0.039 0.000 1.113 327 E CA -0.221 56.162 56.400 -0.029 0.000 0.878 327 E CB 0.323 30.052 29.700 0.048 0.000 1.070 327 E HN 0.275 nan 8.360 nan 0.000 0.399 328 K N 2.747 123.079 120.400 -0.112 0.000 2.451 328 K HA 0.061 4.381 4.320 0.000 0.000 0.280 328 K C -0.105 176.513 176.600 0.030 0.000 1.020 328 K CA 0.585 56.812 56.287 -0.099 0.000 1.008 328 K CB 0.488 32.794 32.500 -0.323 0.000 0.917 328 K HN 0.427 nan 8.250 nan 0.000 0.478 329 E N 1.361 121.624 120.200 0.106 0.000 2.246 329 E HA 0.289 4.639 4.350 0.000 0.000 0.266 329 E C -1.011 175.623 176.600 0.057 0.000 0.880 329 E CA -0.714 55.722 56.400 0.059 0.000 0.762 329 E CB 1.916 31.581 29.700 -0.058 0.000 1.180 329 E HN 0.649 nan 8.360 nan 0.000 0.416 330 A N 3.327 126.135 122.820 -0.020 0.000 2.466 330 A HA 0.147 4.467 4.320 0.000 0.000 0.238 330 A C 0.344 177.707 177.584 -0.368 0.000 1.074 330 A CA -0.261 51.579 52.037 -0.327 0.000 0.774 330 A CB 0.139 18.951 19.000 -0.313 0.000 1.015 330 A HN 0.843 nan 8.150 nan 0.000 0.498 331 I N 1.524 121.885 120.570 -0.349 0.000 2.906 331 I HA -0.036 4.134 4.170 0.000 0.000 0.302 331 I C -0.232 175.751 176.117 -0.222 0.000 1.220 331 I CA 0.258 61.393 61.300 -0.275 0.000 1.441 331 I CB 0.115 38.033 38.000 -0.138 0.000 1.336 331 I HN 0.608 nan 8.210 nan 0.000 0.565 332 Y N 5.971 126.227 120.300 -0.074 0.000 2.480 332 Y HA 0.229 4.780 4.550 0.000 0.000 0.338 332 Y C 1.390 177.256 175.900 -0.057 0.000 1.220 332 Y CA 0.013 58.072 58.100 -0.067 0.000 1.430 332 Y CB 0.416 38.823 38.460 -0.089 0.000 1.311 332 Y HN 0.703 nan 8.280 nan 0.000 0.575 333 G N 1.292 110.177 108.800 0.143 0.000 2.631 333 G HA2 0.028 3.988 3.960 0.000 0.000 0.271 333 G HA3 0.028 3.988 3.960 0.000 0.000 0.271 333 G C -0.566 174.365 174.900 0.052 0.000 1.302 333 G CA -0.788 44.356 45.100 0.074 0.000 1.002 333 G HN 0.542 nan 8.290 nan 0.000 0.519 334 E N 0.881 121.108 120.200 0.045 0.000 2.652 334 E HA 0.041 4.391 4.350 0.000 0.000 0.255 334 E C -1.876 174.720 176.600 -0.007 0.000 0.952 334 E CA -0.711 55.710 56.400 0.036 0.000 0.947 334 E CB 0.136 29.861 29.700 0.042 0.000 0.912 334 E HN 0.095 nan 8.360 nan 0.000 0.489 335 P HA 0.005 nan 4.420 nan 0.000 0.264 335 P C 0.274 177.537 177.300 -0.062 0.000 1.193 335 P CA 0.054 63.103 63.100 -0.086 0.000 0.763 335 P CB 0.595 32.230 31.700 -0.107 0.000 0.810 336 D N 0.004 120.356 120.400 -0.081 0.000 2.277 336 D HA -0.081 4.559 4.640 0.000 0.000 0.208 336 D C 0.216 176.502 176.300 -0.024 0.000 0.962 336 D CA 1.539 55.506 54.000 -0.054 0.000 0.865 336 D CB 0.120 40.881 40.800 -0.066 0.000 0.939 336 D HN 0.423 nan 8.370 nan 0.000 0.510 337 H N 0.039 119.009 119.070 -0.167 0.000 3.018 337 H HA 0.341 4.897 4.556 0.000 0.000 0.334 337 H C -1.550 173.643 175.328 -0.224 0.000 0.983 337 H CA -0.563 55.380 56.048 -0.174 0.000 1.363 337 H CB 0.740 30.383 29.762 -0.198 0.000 1.668 337 H HN -0.360 nan 8.280 nan 0.000 0.513 338 V N 7.656 127.637 119.914 0.112 0.000 2.384 338 V HA 0.348 4.468 4.120 0.000 0.000 0.287 338 V C 0.440 176.445 176.094 -0.147 0.000 1.020 338 V CA -0.566 61.683 62.300 -0.085 0.000 0.850 338 V CB 1.335 33.133 31.823 -0.041 0.000 0.987 338 V HN 0.606 nan 8.190 nan 0.000 0.436 339 I N 4.251 124.586 120.570 -0.391 0.000 2.330 339 I HA 0.372 4.542 4.170 0.000 0.000 0.289 339 I C 0.073 175.955 176.117 -0.391 0.000 1.001 339 I CA -0.038 60.939 61.300 -0.538 0.000 1.193 339 I CB 1.606 39.003 38.000 -1.004 0.000 1.345 339 I HN 0.496 nan 8.210 nan 0.000 0.461 340 T N 6.379 120.800 114.554 -0.222 0.000 2.772 340 T HA 0.504 4.854 4.350 0.000 0.000 0.288 340 T C -0.219 174.426 174.700 -0.090 0.000 0.994 340 T CA -0.547 61.473 62.100 -0.134 0.000 0.951 340 T CB 1.311 70.167 68.868 -0.021 0.000 0.933 340 T HN 0.401 nan 8.240 nan 0.000 0.447 341 V N 0.356 120.192 119.914 -0.129 0.000 2.656 341 V HA 0.726 4.846 4.120 0.000 0.000 0.307 341 V C -1.126 175.009 176.094 0.069 0.000 1.051 341 V CA -1.108 61.180 62.300 -0.020 0.000 0.893 341 V CB 2.155 33.857 31.823 -0.202 0.000 0.999 341 V HN 0.552 nan 8.190 nan 0.000 0.426 342 D N 2.849 123.351 120.400 0.169 0.000 2.193 342 D HA 0.603 5.243 4.640 0.000 0.000 0.244 342 D C -0.388 176.052 176.300 0.232 0.000 1.064 342 D CA -0.110 53.982 54.000 0.153 0.000 0.845 342 D CB 2.126 42.995 40.800 0.115 0.000 1.148 342 D HN 0.545 nan 8.370 nan 0.000 0.464 343 V N 2.708 122.723 119.914 0.168 0.000 2.370 343 V HA 0.537 4.657 4.120 0.000 0.000 0.279 343 V C 0.090 176.243 176.094 0.098 0.000 1.029 343 V CA -0.511 61.864 62.300 0.125 0.000 0.870 343 V CB 1.613 33.478 31.823 0.071 0.000 0.984 343 V HN 0.305 nan 8.190 nan 0.000 0.451 344 V N 6.466 126.455 119.914 0.126 0.000 3.120 344 V HA 0.633 4.753 4.120 0.000 0.000 0.303 344 V C -1.100 175.120 176.094 0.210 0.000 1.238 344 V CA -0.734 61.647 62.300 0.135 0.000 1.008 344 V CB 2.652 34.536 31.823 0.103 0.000 1.064 344 V HN 0.845 nan 8.190 nan 0.000 0.434 345 M N 4.344 124.047 119.600 0.172 0.000 2.264 345 M HA 0.690 5.170 4.480 0.000 0.000 0.352 345 M C -0.702 175.738 176.300 0.233 0.000 1.173 345 M CA 0.186 55.612 55.300 0.210 0.000 1.075 345 M CB 1.152 33.814 32.600 0.103 0.000 1.621 345 M HN 0.735 nan 8.290 nan 0.000 0.457 346 D N 0.643 121.265 120.400 0.370 0.000 2.609 346 D HA 0.362 5.002 4.640 0.000 0.000 0.239 346 D C -1.431 175.080 176.300 0.350 0.000 1.229 346 D CA -0.458 53.706 54.000 0.273 0.000 0.808 346 D CB 1.705 42.561 40.800 0.094 0.000 1.448 346 D HN 0.490 nan 8.370 nan 0.000 0.433 347 N N 1.223 120.073 118.700 0.250 0.000 2.518 347 N HA 0.381 5.121 4.740 0.000 0.000 0.283 347 N C -0.232 175.507 175.510 0.382 0.000 1.119 347 N CA -0.157 53.061 53.050 0.280 0.000 0.983 347 N CB 1.424 40.053 38.487 0.236 0.000 1.139 347 N HN 0.329 nan 8.380 nan 0.000 0.465 348 L N 1.073 122.469 121.223 0.290 0.000 2.421 348 L HA 0.323 4.663 4.340 0.000 0.000 0.267 348 L C 1.974 178.702 176.870 -0.238 0.000 1.036 348 L CA -0.727 54.172 54.840 0.098 0.000 0.829 348 L CB 0.730 42.920 42.059 0.219 0.000 1.437 348 L HN 0.490 nan 8.230 nan 0.000 0.488 349 K N 0.753 120.977 120.400 -0.294 0.000 2.173 349 K HA -0.210 4.110 4.320 0.000 0.000 0.207 349 K C 1.387 177.889 176.600 -0.163 0.000 1.046 349 K CA 2.053 58.149 56.287 -0.317 0.000 0.929 349 K CB -0.055 32.342 32.500 -0.173 0.000 0.720 349 K HN 0.710 nan 8.250 nan 0.000 0.453 350 N N -0.598 118.065 118.700 -0.062 0.000 2.521 350 N HA -0.028 4.713 4.740 0.000 0.000 0.188 350 N C 1.086 176.572 175.510 -0.041 0.000 1.146 350 N CA 1.155 54.188 53.050 -0.028 0.000 0.893 350 N CB 0.181 38.682 38.487 0.022 0.000 0.975 350 N HN 0.365 nan 8.380 nan 0.000 0.451 351 G N -0.506 108.278 108.800 -0.028 0.000 2.199 351 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 351 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 351 G C 0.043 174.907 174.900 -0.061 0.000 0.982 351 G CA 0.584 45.678 45.100 -0.010 0.000 0.632 351 G HN 0.849 nan 8.290 nan 0.000 0.529 352 V N -0.893 118.959 119.914 -0.104 0.000 2.863 352 V HA 0.724 4.844 4.120 0.000 0.000 0.307 352 V C 0.398 176.294 176.094 -0.330 0.000 1.061 352 V CA -0.692 61.444 62.300 -0.273 0.000 1.024 352 V CB 1.878 33.465 31.823 -0.394 0.000 1.049 352 V HN 0.313 nan 8.190 nan 0.000 0.471 353 N N 2.512 120.953 118.700 -0.432 0.000 2.426 353 N HA 0.339 5.079 4.740 0.000 0.000 0.257 353 N C -1.458 173.775 175.510 -0.461 0.000 1.002 353 N CA -0.173 52.699 53.050 -0.298 0.000 0.942 353 N CB 0.691 39.044 38.487 -0.224 0.000 1.112 353 N HN 0.771 nan 8.380 nan 0.000 0.499 354 Y N 0.737 121.012 120.300 -0.041 0.000 2.568 354 Y HA 0.588 5.138 4.550 0.000 0.000 0.327 354 Y C 0.540 176.325 175.900 -0.190 0.000 1.163 354 Y CA -0.949 57.041 58.100 -0.183 0.000 1.219 354 Y CB 1.400 39.631 38.460 -0.383 0.000 1.308 354 Y HN 0.460 nan 8.280 nan 0.000 0.503 355 A N 1.363 124.114 122.820 -0.116 0.000 2.324 355 A HA 0.795 5.115 4.320 0.000 0.000 0.330 355 A C -1.688 175.697 177.584 -0.331 0.000 1.165 355 A CA -0.429 51.541 52.037 -0.111 0.000 0.813 355 A CB 0.186 19.143 19.000 -0.071 0.000 1.197 355 A HN 0.562 nan 8.150 nan 0.000 0.484 356 F N 0.351 120.304 119.950 0.005 0.000 2.540 356 F HA 0.489 5.016 4.527 0.000 0.000 0.317 356 F C -0.527 175.300 175.800 0.045 0.000 1.104 356 F CA -0.331 57.704 58.000 0.057 0.000 0.913 356 F CB 2.028 41.082 39.000 0.091 0.000 1.170 356 F HN 0.511 nan 8.300 nan 0.000 0.450 357 F N 4.130 124.322 119.950 0.404 0.000 2.391 357 F HA 0.255 4.782 4.527 0.000 0.000 0.359 357 F C 0.824 176.887 175.800 0.437 0.000 1.122 357 F CA -0.395 57.831 58.000 0.377 0.000 1.120 357 F CB 0.573 39.802 39.000 0.382 0.000 1.142 357 F HN 0.618 nan 8.300 nan 0.000 0.483 358 N N 1.831 120.837 118.700 0.509 0.000 1.518 358 N HA -0.360 4.380 4.740 0.000 0.000 0.146 358 N C 0.484 176.138 175.510 0.241 0.000 0.621 358 N CA 1.941 55.181 53.050 0.317 0.000 1.108 358 N CB -0.887 37.786 38.487 0.310 0.000 1.310 358 N HN 0.705 nan 8.380 nan 0.000 0.457 359 N N 1.904 120.713 118.700 0.181 0.000 2.275 359 N HA 0.312 5.052 4.740 0.000 0.000 0.236 359 N C -0.461 175.211 175.510 0.269 0.000 1.154 359 N CA 0.109 53.223 53.050 0.106 0.000 0.866 359 N CB -0.034 38.453 38.487 -0.000 0.000 1.093 359 N HN 0.584 nan 8.380 nan 0.000 0.515 360 I N 0.360 121.155 120.570 0.375 0.000 2.466 360 I HA 0.248 4.418 4.170 0.000 0.000 0.289 360 I C -0.512 175.767 176.117 0.270 0.000 1.026 360 I CA -0.640 60.809 61.300 0.249 0.000 1.078 360 I CB 2.185 40.130 38.000 -0.092 0.000 1.249 360 I HN -0.168 nan 8.210 nan 0.000 0.429 361 T N 4.838 119.382 114.554 -0.016 0.000 2.799 361 T HA 0.196 4.546 4.350 0.000 0.000 0.286 361 T C -0.466 174.238 174.700 0.007 0.000 0.973 361 T CA -0.205 61.776 62.100 -0.198 0.000 1.035 361 T CB 0.358 68.901 68.868 -0.541 0.000 0.932 361 T HN 0.306 nan 8.240 nan 0.000 0.469 362 Y N 3.637 123.976 120.300 0.066 0.000 2.729 362 Y HA 0.161 4.711 4.550 0.000 0.000 0.331 362 Y C 0.191 176.112 175.900 0.035 0.000 1.208 362 Y CA 0.269 58.450 58.100 0.135 0.000 1.521 362 Y CB 0.120 38.746 38.460 0.277 0.000 1.233 362 Y HN 0.541 nan 8.280 nan 0.000 0.539 363 T N 7.047 121.189 114.554 -0.687 0.000 2.892 363 T HA 0.599 4.949 4.350 0.000 0.000 0.311 363 T C -0.208 173.984 174.700 -0.847 0.000 1.033 363 T CA -0.411 61.340 62.100 -0.581 0.000 0.991 363 T CB 0.711 69.370 68.868 -0.348 0.000 0.981 363 T HN 0.923 nan 8.240 nan 0.000 0.457 364 A N 5.984 128.377 122.820 -0.712 0.000 2.584 364 A HA 0.393 4.713 4.320 0.000 0.000 0.239 364 A C -1.654 175.646 177.584 -0.473 0.000 1.043 364 A CA -0.559 51.164 52.037 -0.523 0.000 0.756 364 A CB -0.396 18.349 19.000 -0.425 0.000 0.963 364 A HN 0.534 nan 8.150 nan 0.000 0.511 365 P HA 0.249 nan 4.420 nan 0.000 0.277 365 P C 0.098 177.273 177.300 -0.208 0.000 1.271 365 P CA -0.418 62.565 63.100 -0.195 0.000 0.795 365 P CB 0.756 32.434 31.700 -0.036 0.000 1.101 366 K N -0.820 119.527 120.400 -0.088 0.000 2.366 366 K HA 0.128 4.448 4.320 0.000 0.000 0.198 366 K C 0.037 176.721 176.600 0.141 0.000 1.044 366 K CA 0.676 56.956 56.287 -0.013 0.000 0.973 366 K CB 0.079 32.569 32.500 -0.017 0.000 0.767 366 K HN 0.205 nan 8.250 nan 0.000 0.475 367 V N 2.096 122.103 119.914 0.155 0.000 2.623 367 V HA 0.214 4.334 4.120 0.000 0.000 0.304 367 V C -2.616 173.601 176.094 0.205 0.000 1.054 367 V CA -2.465 59.936 62.300 0.168 0.000 0.882 367 V CB 1.796 33.663 31.823 0.074 0.000 1.002 367 V HN -0.080 nan 8.190 nan 0.000 0.424 368 P HA 0.095 nan 4.420 nan 0.000 0.264 368 P C 1.115 178.462 177.300 0.078 0.000 1.183 368 P CA 0.364 63.530 63.100 0.110 0.000 0.763 368 P CB 0.506 32.168 31.700 -0.062 0.000 0.807 369 T N 2.594 117.191 114.554 0.071 0.000 2.592 369 T HA -0.252 4.099 4.350 0.000 0.000 0.267 369 T C 1.619 176.351 174.700 0.052 0.000 1.060 369 T CA 1.588 63.734 62.100 0.078 0.000 1.167 369 T CB -0.767 68.079 68.868 -0.037 0.000 0.863 369 T HN 0.310 nan 8.240 nan 0.000 0.431 370 L N 0.177 121.373 121.223 -0.045 0.000 2.042 370 L HA -0.068 4.272 4.340 0.000 0.000 0.210 370 L C 2.305 179.165 176.870 -0.016 0.000 1.076 370 L CA 1.787 56.589 54.840 -0.064 0.000 0.749 370 L CB -0.579 41.409 42.059 -0.117 0.000 0.893 370 L HN 0.158 nan 8.230 nan 0.000 0.432 371 M N -1.064 118.531 119.600 -0.008 0.000 2.213 371 M HA -0.166 4.315 4.480 0.000 0.000 0.263 371 M C 2.270 178.579 176.300 0.014 0.000 1.062 371 M CA 2.144 57.443 55.300 -0.002 0.000 1.105 371 M CB -0.907 31.690 32.600 -0.005 0.000 1.385 371 M HN 0.555 nan 8.290 nan 0.000 0.417 372 T N -1.728 112.852 114.554 0.044 0.000 2.937 372 T HA -0.043 4.307 4.350 0.000 0.000 0.260 372 T C 1.874 176.593 174.700 0.032 0.000 1.051 372 T CA 1.205 63.319 62.100 0.022 0.000 1.141 372 T CB -0.606 68.254 68.868 -0.015 0.000 0.879 372 T HN 0.232 nan 8.240 nan 0.000 0.459 373 V N 1.204 121.197 119.914 0.132 0.000 2.407 373 V HA 0.056 4.176 4.120 0.000 0.000 0.248 373 V C 2.235 178.353 176.094 0.040 0.000 1.055 373 V CA 1.800 64.171 62.300 0.117 0.000 1.049 373 V CB -0.772 31.125 31.823 0.123 0.000 0.662 373 V HN 0.610 nan 8.190 nan 0.000 0.455 374 L N 1.179 122.413 121.223 0.017 0.000 2.599 374 L HA 0.139 4.479 4.340 0.000 0.000 0.230 374 L C 1.579 178.452 176.870 0.005 0.000 1.141 374 L CA 0.989 55.831 54.840 0.004 0.000 0.877 374 L CB -0.159 41.889 42.059 -0.020 0.000 1.009 374 L HN 0.677 nan 8.230 nan 0.000 0.447 375 S N -3.917 111.786 115.700 0.005 0.000 2.993 375 S HA 0.039 4.509 4.470 0.000 0.000 0.257 375 S C 1.180 175.776 174.600 -0.006 0.000 0.997 375 S CA 0.063 58.263 58.200 -0.001 0.000 1.191 375 S CB 0.188 63.383 63.200 -0.007 0.000 1.143 375 S HN 0.250 nan 8.310 nan 0.000 0.655 376 S N 0.725 116.421 115.700 -0.006 0.000 2.535 376 S HA 0.548 5.019 4.470 0.000 0.000 0.214 376 S C 1.626 176.241 174.600 0.026 0.000 0.980 376 S CA 0.539 58.727 58.200 -0.021 0.000 0.907 376 S CB -0.426 62.726 63.200 -0.080 0.000 0.790 376 S HN 1.403 nan 8.310 nan 0.000 0.510 377 G N 3.033 111.869 108.800 0.059 0.000 2.602 377 G HA2 -0.384 3.577 3.960 0.000 0.000 0.310 377 G HA3 -0.384 3.577 3.960 0.000 0.000 0.310 377 G C 0.200 175.219 174.900 0.199 0.000 1.183 377 G CA 0.659 45.818 45.100 0.098 0.000 0.979 377 G HN 0.493 nan 8.290 nan 0.000 0.545 378 D N 1.231 121.729 120.400 0.163 0.000 2.349 378 D HA 0.099 4.739 4.640 0.000 0.000 0.224 378 D C 2.171 178.644 176.300 0.289 0.000 1.029 378 D CA 0.859 54.995 54.000 0.227 0.000 0.879 378 D CB 0.128 40.967 40.800 0.065 0.000 0.906 378 D HN 0.608 nan 8.370 nan 0.000 0.528 379 Q N -0.164 119.734 119.800 0.164 0.000 2.280 379 Q HA 0.277 4.617 4.340 0.000 0.000 0.201 379 Q C 1.519 177.527 176.000 0.014 0.000 0.890 379 Q CA -0.146 55.705 55.803 0.079 0.000 0.947 379 Q CB 0.633 29.374 28.738 0.004 0.000 1.081 379 Q HN 0.160 nan 8.270 nan 0.000 0.502 380 A N 1.039 123.871 122.820 0.020 0.000 2.172 380 A HA -0.142 4.178 4.320 0.000 0.000 0.216 380 A C 1.698 179.207 177.584 -0.124 0.000 1.154 380 A CA 1.147 53.134 52.037 -0.084 0.000 0.701 380 A CB -0.212 18.703 19.000 -0.142 0.000 0.789 380 A HN 0.222 nan 8.150 nan 0.000 0.465 381 N N 0.275 118.880 118.700 -0.158 0.000 2.422 381 N HA -0.049 4.691 4.740 0.000 0.000 0.181 381 N C 0.168 175.707 175.510 0.049 0.000 1.080 381 N CA 0.083 53.081 53.050 -0.087 0.000 0.893 381 N CB -0.294 38.241 38.487 0.081 0.000 0.973 381 N HN 0.343 nan 8.380 nan 0.000 0.456 382 N N 0.160 118.891 118.700 0.052 0.000 2.401 382 N HA 0.007 4.747 4.740 0.000 0.000 0.255 382 N C 0.858 176.411 175.510 0.071 0.000 1.110 382 N CA 0.113 53.188 53.050 0.042 0.000 0.949 382 N CB 0.827 39.316 38.487 0.003 0.000 1.110 382 N HN 0.171 nan 8.380 nan 0.000 0.490 383 S N 2.471 118.236 115.700 0.108 0.000 2.442 383 S HA -0.161 4.309 4.470 0.000 0.000 0.236 383 S C 1.408 176.082 174.600 0.123 0.000 1.007 383 S CA 0.928 59.234 58.200 0.177 0.000 0.965 383 S CB -0.255 63.003 63.200 0.096 0.000 0.773 383 S HN 0.752 nan 8.310 nan 0.000 0.504 384 E N 1.546 121.763 120.200 0.027 0.000 2.160 384 E HA -0.174 4.176 4.350 0.000 0.000 0.195 384 E C 1.995 178.560 176.600 -0.058 0.000 0.991 384 E CA 1.555 57.947 56.400 -0.014 0.000 0.810 384 E CB -0.411 29.274 29.700 -0.026 0.000 0.742 384 E HN 0.925 nan 8.360 nan 0.000 0.466 385 I N -2.214 118.264 120.570 -0.153 0.000 2.830 385 I HA -0.159 4.011 4.170 0.000 0.000 0.263 385 I C 1.215 177.136 176.117 -0.326 0.000 1.230 385 I CA 0.908 62.040 61.300 -0.281 0.000 1.480 385 I CB -0.326 37.427 38.000 -0.411 0.000 1.095 385 I HN 0.011 nan 8.210 nan 0.000 0.455 386 Y N 2.526 122.804 120.300 -0.037 0.000 2.511 386 Y HA 0.459 5.009 4.550 0.000 0.000 0.279 386 Y C 1.424 177.301 175.900 -0.038 0.000 1.157 386 Y CA 0.384 58.464 58.100 -0.033 0.000 1.300 386 Y CB 0.026 38.469 38.460 -0.029 0.000 1.052 386 Y HN 0.410 nan 8.280 nan 0.000 0.529 387 G N -0.241 108.591 108.800 0.054 0.000 2.570 387 G HA2 -0.148 3.813 3.960 0.000 0.000 0.686 387 G HA3 -0.148 3.813 3.960 0.000 0.000 0.686 387 G C 0.425 175.316 174.900 -0.014 0.000 1.257 387 G CA -0.243 44.856 45.100 -0.000 0.000 0.846 387 G HN 0.235 nan 8.290 nan 0.000 0.627 388 S N -1.022 114.649 115.700 -0.047 0.000 2.483 388 S HA 0.117 4.587 4.470 0.000 0.000 0.221 388 S C 1.172 175.721 174.600 -0.086 0.000 1.030 388 S CA 1.081 59.242 58.200 -0.064 0.000 0.925 388 S CB 0.279 63.442 63.200 -0.063 0.000 0.795 388 S HN 0.712 nan 8.310 nan 0.000 0.511 389 N N 0.249 118.894 118.700 -0.093 0.000 2.321 389 N HA 0.287 5.027 4.740 0.000 0.000 0.242 389 N C 0.518 175.945 175.510 -0.137 0.000 1.141 389 N CA 0.137 53.117 53.050 -0.117 0.000 0.864 389 N CB 0.551 38.955 38.487 -0.140 0.000 1.100 389 N HN 0.292 nan 8.380 nan 0.000 0.510 390 T N -1.857 112.664 114.554 -0.056 0.000 3.003 390 T HA 0.056 4.406 4.350 0.000 0.000 0.261 390 T C -0.129 174.757 174.700 0.309 0.000 1.003 390 T CA -0.052 62.054 62.100 0.010 0.000 0.917 390 T CB -0.193 68.684 68.868 0.015 0.000 1.084 390 T HN 0.420 nan 8.240 nan 0.000 0.522 391 H N 1.561 120.688 119.070 0.096 0.000 2.591 391 H HA -0.126 4.430 4.556 0.000 0.000 0.325 391 H C -0.948 174.358 175.328 -0.036 0.000 1.096 391 H CA 0.433 56.511 56.048 0.050 0.000 1.108 391 H CB -0.994 28.921 29.762 0.255 0.000 1.590 391 H HN 0.205 nan 8.280 nan 0.000 0.399 392 T N 2.462 117.004 114.554 -0.019 0.000 2.795 392 T HA 0.434 4.784 4.350 0.000 0.000 0.282 392 T C -0.185 174.325 174.700 -0.317 0.000 0.980 392 T CA -0.308 61.745 62.100 -0.078 0.000 1.012 392 T CB 0.669 69.517 68.868 -0.033 0.000 0.936 392 T HN 0.225 nan 8.240 nan 0.000 0.457 393 F N 1.944 121.910 119.950 0.027 0.000 2.508 393 F HA 0.595 5.122 4.527 0.000 0.000 0.325 393 F C 0.234 176.030 175.800 -0.007 0.000 1.090 393 F CA -1.169 56.850 58.000 0.031 0.000 0.945 393 F CB 1.296 40.280 39.000 -0.027 0.000 1.156 393 F HN 0.307 nan 8.300 nan 0.000 0.463 394 I N 4.269 124.975 120.570 0.226 0.000 2.354 394 I HA 0.366 4.536 4.170 0.000 0.000 0.292 394 I C -0.850 175.378 176.117 0.186 0.000 0.989 394 I CA -0.565 60.803 61.300 0.112 0.000 1.188 394 I CB 1.247 39.279 38.000 0.055 0.000 1.342 394 I HN 0.335 nan 8.210 nan 0.000 0.457 395 L N 5.734 127.030 121.223 0.121 0.000 2.325 395 L HA 0.501 4.841 4.340 0.000 0.000 0.278 395 L C 0.134 177.051 176.870 0.079 0.000 1.023 395 L CA -0.898 54.022 54.840 0.134 0.000 0.811 395 L CB 1.216 43.321 42.059 0.078 0.000 1.249 395 L HN 0.469 nan 8.230 nan 0.000 0.431 396 E N 1.423 121.663 120.200 0.066 0.000 2.314 396 E HA 0.100 4.450 4.350 0.000 0.000 0.262 396 E C 0.576 177.198 176.600 0.036 0.000 1.093 396 E CA -0.399 56.027 56.400 0.044 0.000 0.908 396 E CB 1.277 30.993 29.700 0.026 0.000 1.091 396 E HN 0.498 nan 8.360 nan 0.000 0.425 397 K N 0.797 121.228 120.400 0.052 0.000 2.056 397 K HA -0.237 4.083 4.320 0.000 0.000 0.225 397 K C 0.769 177.388 176.600 0.030 0.000 1.053 397 K CA 2.171 58.491 56.287 0.054 0.000 0.966 397 K CB -0.057 32.480 32.500 0.061 0.000 0.735 397 K HN 0.256 nan 8.250 nan 0.000 0.455 398 D N 0.437 120.839 120.400 0.002 0.000 2.620 398 D HA 0.042 4.682 4.640 0.000 0.000 0.260 398 D C -0.708 175.543 176.300 -0.082 0.000 1.367 398 D CA -0.143 53.841 54.000 -0.027 0.000 0.805 398 D CB 0.260 41.050 40.800 -0.016 0.000 1.096 398 D HN 0.554 nan 8.370 nan 0.000 0.488 399 E N 0.291 120.440 120.200 -0.086 0.000 2.418 399 E HA 0.130 4.480 4.350 0.000 0.000 0.261 399 E C -0.001 176.452 176.600 -0.245 0.000 1.070 399 E CA -0.084 56.241 56.400 -0.126 0.000 0.931 399 E CB 1.249 30.899 29.700 -0.082 0.000 0.954 399 E HN 0.057 nan 8.360 nan 0.000 0.439 400 I N 2.668 123.081 120.570 -0.262 0.000 2.337 400 I HA 0.068 4.238 4.170 0.000 0.000 0.291 400 I C -0.584 175.278 176.117 -0.425 0.000 1.046 400 I CA -0.599 60.465 61.300 -0.394 0.000 1.324 400 I CB 1.066 38.884 38.000 -0.304 0.000 1.409 400 I HN 0.353 nan 8.210 nan 0.000 0.494 401 V N 6.562 126.044 119.914 -0.720 0.000 2.472 401 V HA 0.324 4.444 4.120 0.000 0.000 0.290 401 V C 0.004 175.657 176.094 -0.734 0.000 1.037 401 V CA -0.606 61.209 62.300 -0.809 0.000 0.908 401 V CB 1.645 32.695 31.823 -1.287 0.000 0.985 401 V HN 0.724 nan 8.190 nan 0.000 0.454 402 E N 4.648 124.542 120.200 -0.510 0.000 2.191 402 E HA 0.546 4.896 4.350 0.000 0.000 0.263 402 E C -1.361 174.978 176.600 -0.434 0.000 0.881 402 E CA -0.651 55.502 56.400 -0.411 0.000 0.757 402 E CB 1.502 31.013 29.700 -0.315 0.000 1.147 402 E HN 0.661 nan 8.360 nan 0.000 0.414 403 I N 4.649 124.966 120.570 -0.422 0.000 2.321 403 I HA 0.248 4.418 4.170 0.000 0.000 0.291 403 I C -0.614 175.284 176.117 -0.364 0.000 0.998 403 I CA -1.009 60.002 61.300 -0.481 0.000 1.227 403 I CB 1.596 39.200 38.000 -0.661 0.000 1.368 403 I HN 0.327 nan 8.210 nan 0.000 0.466 404 V N 7.783 127.485 119.914 -0.353 0.000 2.370 404 V HA 0.370 4.491 4.120 0.000 0.000 0.283 404 V C -0.231 175.700 176.094 -0.272 0.000 1.023 404 V CA -0.540 61.589 62.300 -0.285 0.000 0.857 404 V CB 1.819 33.520 31.823 -0.203 0.000 0.985 404 V HN 0.493 nan 8.190 nan 0.000 0.443 405 L N 5.855 126.878 121.223 -0.332 0.000 2.325 405 L HA 0.629 4.969 4.340 0.000 0.000 0.281 405 L C -0.517 176.192 176.870 -0.269 0.000 1.004 405 L CA -0.242 54.337 54.840 -0.436 0.000 0.823 405 L CB 1.289 42.763 42.059 -0.975 0.000 1.236 405 L HN 0.557 nan 8.230 nan 0.000 0.415 406 N N 3.571 122.210 118.700 -0.102 0.000 2.511 406 N HA 0.182 4.922 4.740 0.000 0.000 0.249 406 N C -0.950 174.583 175.510 0.039 0.000 0.971 406 N CA -0.490 52.561 53.050 0.001 0.000 0.938 406 N CB 1.312 39.825 38.487 0.043 0.000 1.131 406 N HN 0.501 nan 8.380 nan 0.000 0.505 407 N N 1.298 120.045 118.700 0.077 0.000 2.416 407 N HA -0.003 4.737 4.740 0.000 0.000 0.265 407 N C 0.557 176.147 175.510 0.133 0.000 1.195 407 N CA 0.300 53.434 53.050 0.140 0.000 0.943 407 N CB 0.749 39.380 38.487 0.240 0.000 1.115 407 N HN 0.381 nan 8.380 nan 0.000 0.481 408 Q N 1.399 121.268 119.800 0.114 0.000 2.319 408 Q HA 0.157 4.497 4.340 0.000 0.000 0.202 408 Q C -0.759 175.311 176.000 0.117 0.000 0.896 408 Q CA 0.045 55.904 55.803 0.093 0.000 0.942 408 Q CB 0.281 29.061 28.738 0.069 0.000 1.083 408 Q HN 0.734 nan 8.270 nan 0.000 0.510 409 D N -2.041 118.458 120.400 0.164 0.000 2.229 409 D HA 0.081 4.721 4.640 0.000 0.000 0.249 409 D C 0.649 177.089 176.300 0.233 0.000 1.027 409 D CA -0.212 53.909 54.000 0.201 0.000 0.923 409 D CB 1.334 42.292 40.800 0.262 0.000 1.174 409 D HN 0.063 nan 8.370 nan 0.000 0.443 410 T N -0.235 114.437 114.554 0.198 0.000 3.219 410 T HA 0.349 4.699 4.350 0.000 0.000 0.249 410 T C 0.814 175.623 174.700 0.182 0.000 1.099 410 T CA -0.363 61.846 62.100 0.181 0.000 0.988 410 T CB -0.232 68.720 68.868 0.141 0.000 0.999 410 T HN 0.292 nan 8.240 nan 0.000 0.550 411 G N 0.098 109.022 108.800 0.207 0.000 2.597 411 G HA2 0.562 4.522 3.960 0.000 0.000 0.317 411 G HA3 0.562 4.522 3.960 0.000 0.000 0.317 411 G C -0.932 173.996 174.900 0.047 0.000 1.230 411 G CA -0.710 44.447 45.100 0.095 0.000 0.996 411 G HN 0.227 nan 8.290 nan 0.000 0.490 412 T N 1.083 115.611 114.554 -0.042 0.000 2.837 412 T HA 0.486 4.836 4.350 0.000 0.000 0.285 412 T C -0.734 173.877 174.700 -0.150 0.000 0.984 412 T CA -0.081 62.048 62.100 0.049 0.000 1.049 412 T CB 0.473 69.377 68.868 0.061 0.000 0.947 412 T HN 0.427 nan 8.240 nan 0.000 0.472 413 H N 3.152 122.386 119.070 0.272 0.000 2.667 413 H HA 0.308 4.865 4.556 0.000 0.000 0.353 413 H C -2.757 172.659 175.328 0.147 0.000 1.072 413 H CA -2.141 53.978 56.048 0.118 0.000 1.214 413 H CB 2.229 31.932 29.762 -0.098 0.000 1.600 413 H HN 0.321 nan 8.280 nan 0.000 0.527 414 P HA 0.210 nan 4.420 nan 0.000 0.288 414 P C -0.642 176.718 177.300 0.099 0.000 1.363 414 P CA -0.295 62.958 63.100 0.255 0.000 0.837 414 P CB -0.158 31.665 31.700 0.205 0.000 0.981 415 F N 2.651 122.823 119.950 0.370 0.000 2.379 415 F HA 0.424 4.951 4.527 0.000 0.000 0.332 415 F C 1.290 177.218 175.800 0.213 0.000 1.096 415 F CA 0.102 58.194 58.000 0.152 0.000 1.105 415 F CB 0.924 39.976 39.000 0.088 0.000 1.189 415 F HN 0.385 nan 8.300 nan 0.000 0.515 416 H N 2.696 121.808 119.070 0.069 0.000 2.717 416 H HA 0.628 5.184 4.556 0.000 0.000 0.366 416 H C -1.947 173.484 175.328 0.172 0.000 1.132 416 H CA -1.070 55.087 56.048 0.182 0.000 1.180 416 H CB 1.719 31.609 29.762 0.214 0.000 1.678 416 H HN 0.553 nan 8.280 nan 0.000 0.537 417 L N 5.484 126.607 121.223 -0.167 0.000 2.325 417 L HA 0.347 4.687 4.340 0.000 0.000 0.281 417 L C -0.840 175.825 176.870 -0.341 0.000 1.004 417 L CA -0.276 54.552 54.840 -0.020 0.000 0.823 417 L CB 0.780 43.022 42.059 0.305 0.000 1.236 417 L HN 0.799 nan 8.230 nan 0.000 0.415 418 H N 3.876 122.805 119.070 -0.234 0.000 2.690 418 H HA 0.303 4.860 4.556 0.000 0.000 0.365 418 H C 1.004 176.121 175.328 -0.352 0.000 1.142 418 H CA 0.638 56.651 56.048 -0.058 0.000 1.417 418 H CB 1.035 30.990 29.762 0.322 0.000 1.446 418 H HN 0.960 nan 8.280 nan 0.000 0.599 419 G N 1.514 109.989 108.800 -0.542 0.000 2.245 419 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 419 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 419 G C 0.094 174.082 174.900 -1.520 0.000 0.985 419 G CA 0.322 44.464 45.100 -1.597 0.000 0.625 419 G HN 0.793 nan 8.290 nan 0.000 0.536 420 H N -0.684 117.888 119.070 -0.831 0.000 3.016 420 H HA 0.644 5.200 4.556 0.000 0.000 0.362 420 H C -0.250 174.790 175.328 -0.481 0.000 1.233 420 H CA -0.142 55.363 56.048 -0.904 0.000 1.124 420 H CB 1.803 31.062 29.762 -0.838 0.000 1.850 420 H HN 0.646 nan 8.280 nan 0.000 0.549 421 A N 2.576 125.234 122.820 -0.271 0.000 2.258 421 A HA 0.528 4.848 4.320 0.000 0.000 0.316 421 A C -0.429 177.035 177.584 -0.200 0.000 1.279 421 A CA -0.673 51.236 52.037 -0.213 0.000 0.876 421 A CB -0.488 18.530 19.000 0.031 0.000 1.170 421 A HN 0.468 nan 8.150 nan 0.000 0.520 422 F N 0.318 120.249 119.950 -0.033 0.000 2.370 422 F HA 0.601 5.128 4.527 0.000 0.000 0.319 422 F C 0.463 176.266 175.800 0.005 0.000 1.129 422 F CA -1.024 56.972 58.000 -0.006 0.000 1.109 422 F CB 0.744 39.705 39.000 -0.065 0.000 1.262 422 F HN 0.502 nan 8.300 nan 0.000 0.534 423 Q N 0.749 120.733 119.800 0.306 0.000 2.279 423 Q HA 0.261 4.601 4.340 0.000 0.000 0.256 423 Q C -0.820 175.242 176.000 0.103 0.000 0.937 423 Q CA -0.425 55.453 55.803 0.126 0.000 0.933 423 Q CB 1.426 30.185 28.738 0.035 0.000 1.189 423 Q HN 0.668 nan 8.270 nan 0.000 0.417 424 T N 3.894 118.478 114.554 0.049 0.000 2.747 424 T HA 0.204 4.554 4.350 0.000 0.000 0.301 424 T C 1.147 175.843 174.700 -0.007 0.000 0.952 424 T CA -0.162 61.946 62.100 0.014 0.000 0.983 424 T CB -0.032 68.872 68.868 0.060 0.000 0.930 424 T HN 0.588 nan 8.240 nan 0.000 0.494 425 I N 0.836 121.389 120.570 -0.030 0.000 3.526 425 I HA 0.386 4.556 4.170 0.000 0.000 0.294 425 I C 0.534 176.789 176.117 0.231 0.000 1.229 425 I CA -0.106 61.159 61.300 -0.059 0.000 1.408 425 I CB 0.437 38.132 38.000 -0.510 0.000 1.127 425 I HN 0.418 nan 8.210 nan 0.000 0.439 426 Q N 1.894 121.793 119.800 0.166 0.000 2.309 426 Q HA 0.456 4.796 4.340 0.000 0.000 0.273 426 Q C -1.161 174.885 176.000 0.076 0.000 1.040 426 Q CA -0.823 55.076 55.803 0.160 0.000 0.834 426 Q CB 1.938 30.813 28.738 0.229 0.000 1.345 426 Q HN 0.311 nan 8.270 nan 0.000 0.414 427 R N 3.797 124.218 120.500 -0.132 0.000 2.797 427 R HA 0.206 4.546 4.340 0.000 0.000 0.274 427 R C -1.339 174.946 176.300 -0.025 0.000 1.652 427 R CA -0.376 55.728 56.100 0.007 0.000 1.175 427 R CB 0.903 31.196 30.300 -0.011 0.000 1.283 427 R HN 0.829 nan 8.270 nan 0.000 0.513 428 D N 2.578 123.054 120.400 0.125 0.000 2.362 428 D HA -0.013 4.627 4.640 0.000 0.000 0.238 428 D C 0.389 176.746 176.300 0.095 0.000 1.212 428 D CA 0.177 54.262 54.000 0.142 0.000 0.902 428 D CB 0.849 41.838 40.800 0.316 0.000 1.180 428 D HN 0.509 nan 8.370 nan 0.000 0.445 429 R N -0.180 120.299 120.500 -0.035 0.000 2.801 429 R HA 0.179 4.519 4.340 0.000 0.000 0.273 429 R C -0.129 176.042 176.300 -0.215 0.000 1.080 429 R CA -0.360 55.657 56.100 -0.139 0.000 1.197 429 R CB -0.267 29.883 30.300 -0.250 0.000 1.109 429 R HN 0.170 nan 8.270 nan 0.000 0.535 430 T N 1.661 116.140 114.554 -0.126 0.000 2.888 430 T HA 0.048 4.398 4.350 0.000 0.000 0.301 430 T C -0.899 173.649 174.700 -0.254 0.000 1.001 430 T CA 0.423 62.490 62.100 -0.055 0.000 1.147 430 T CB -0.072 68.815 68.868 0.031 0.000 0.931 430 T HN 0.360 nan 8.240 nan 0.000 0.541 431 Y N 2.070 122.452 120.300 0.136 0.000 2.593 431 Y HA 0.274 4.824 4.550 0.000 0.000 0.331 431 Y C 0.426 176.402 175.900 0.127 0.000 0.986 431 Y CA -1.237 56.946 58.100 0.138 0.000 1.262 431 Y CB 0.613 39.194 38.460 0.203 0.000 1.098 431 Y HN 0.573 nan 8.280 nan 0.000 0.506 432 D N 2.779 123.291 120.400 0.187 0.000 2.325 432 D HA -0.045 4.595 4.640 0.000 0.000 0.251 432 D C 1.018 177.403 176.300 0.141 0.000 1.196 432 D CA -0.017 54.067 54.000 0.140 0.000 0.866 432 D CB 0.759 41.613 40.800 0.090 0.000 1.101 432 D HN 0.671 nan 8.370 nan 0.000 0.476 433 D N 3.143 123.623 120.400 0.133 0.000 2.317 433 D HA -0.141 4.499 4.640 0.000 0.000 0.211 433 D C 1.435 177.787 176.300 0.086 0.000 0.966 433 D CA 0.423 54.490 54.000 0.113 0.000 0.876 433 D CB 0.107 40.971 40.800 0.107 0.000 0.927 433 D HN 0.374 nan 8.370 nan 0.000 0.519 434 A N 0.745 123.613 122.820 0.080 0.000 2.015 434 A HA 0.011 4.331 4.320 0.000 0.000 0.219 434 A C 2.312 179.930 177.584 0.058 0.000 1.163 434 A CA 0.515 52.589 52.037 0.062 0.000 0.646 434 A CB -0.605 18.430 19.000 0.057 0.000 0.806 434 A HN 0.293 nan 8.150 nan 0.000 0.448 435 L N -1.390 119.873 121.223 0.067 0.000 2.591 435 L HA 0.239 4.579 4.340 0.000 0.000 0.228 435 L C 1.566 178.478 176.870 0.070 0.000 1.133 435 L CA 0.774 55.652 54.840 0.063 0.000 0.880 435 L CB 0.258 42.354 42.059 0.062 0.000 1.033 435 L HN 0.562 nan 8.230 nan 0.000 0.450 436 G N -0.633 108.213 108.800 0.077 0.000 2.157 436 G HA2 -0.224 3.736 3.960 0.000 0.000 0.239 436 G HA3 -0.224 3.736 3.960 0.000 0.000 0.239 436 G C 0.102 175.059 174.900 0.095 0.000 0.982 436 G CA -0.323 44.821 45.100 0.074 0.000 0.650 436 G HN 0.403 nan 8.290 nan 0.000 0.527 437 E N 0.226 120.504 120.200 0.131 0.000 2.343 437 E HA 0.483 4.833 4.350 0.000 0.000 0.269 437 E C 0.849 177.545 176.600 0.160 0.000 1.047 437 E CA -0.115 56.397 56.400 0.186 0.000 0.874 437 E CB 1.938 31.807 29.700 0.283 0.000 1.033 437 E HN 0.575 nan 8.360 nan 0.000 0.409 438 V N -0.238 119.747 119.914 0.119 0.000 3.096 438 V HA 0.472 4.592 4.120 0.000 0.000 0.319 438 V C -2.449 173.605 176.094 -0.065 0.000 1.082 438 V CA -2.737 59.564 62.300 0.002 0.000 1.022 438 V CB 0.727 32.493 31.823 -0.094 0.000 1.103 438 V HN 0.507 nan 8.190 nan 0.000 0.455 439 P HA 0.374 nan 4.420 nan 0.000 0.271 439 P C -1.228 175.833 177.300 -0.398 0.000 1.218 439 P CA 0.281 63.303 63.100 -0.129 0.000 0.780 439 P CB 0.097 31.774 31.700 -0.038 0.000 0.901 440 H N -0.464 118.385 119.070 -0.369 0.000 2.658 440 H HA 0.397 4.953 4.556 0.000 0.000 0.337 440 H C -0.103 175.147 175.328 -0.131 0.000 1.009 440 H CA -0.253 55.585 56.048 -0.350 0.000 1.231 440 H CB 1.147 30.484 29.762 -0.708 0.000 1.508 440 H HN 0.245 nan 8.280 nan 0.000 0.517 441 S N 2.194 117.914 115.700 0.034 0.000 2.632 441 S HA 0.137 4.607 4.470 0.000 0.000 0.267 441 S C -0.250 174.448 174.600 0.162 0.000 1.276 441 S CA -0.733 57.524 58.200 0.094 0.000 0.998 441 S CB 0.531 63.768 63.200 0.061 0.000 0.953 441 S HN 0.486 nan 8.310 nan 0.000 0.547 442 F N 2.494 122.484 119.950 0.067 0.000 2.538 442 F HA 0.204 4.732 4.527 0.000 0.000 0.371 442 F C 0.213 176.067 175.800 0.089 0.000 1.087 442 F CA -0.233 57.822 58.000 0.090 0.000 1.250 442 F CB 0.346 39.386 39.000 0.067 0.000 1.110 442 F HN 0.357 nan 8.300 nan 0.000 0.570 443 D N 8.699 128.703 120.400 -0.660 0.000 2.440 443 D HA 0.285 4.925 4.640 0.000 0.000 0.239 443 D C -1.868 173.941 176.300 -0.818 0.000 1.084 443 D CA -2.419 51.258 54.000 -0.539 0.000 0.843 443 D CB 1.965 42.638 40.800 -0.212 0.000 1.097 443 D HN 0.270 nan 8.370 nan 0.000 0.531 444 P HA -0.081 nan 4.420 nan 0.000 0.222 444 P C 0.304 177.611 177.300 0.010 0.000 1.147 444 P CA 0.761 63.737 63.100 -0.207 0.000 0.790 444 P CB 0.702 32.441 31.700 0.064 0.000 0.780 445 D N -1.089 119.265 120.400 -0.077 0.000 2.333 445 D HA -0.004 4.636 4.640 0.000 0.000 0.208 445 D C 0.495 176.716 176.300 -0.132 0.000 0.984 445 D CA 0.907 54.864 54.000 -0.071 0.000 0.873 445 D CB -0.288 40.477 40.800 -0.058 0.000 0.935 445 D HN 0.168 nan 8.370 nan 0.000 0.521 446 N N 0.199 118.812 118.700 -0.145 0.000 2.621 446 N HA 0.195 4.935 4.740 0.000 0.000 0.271 446 N C -1.761 173.688 175.510 -0.102 0.000 1.181 446 N CA -0.521 52.434 53.050 -0.159 0.000 0.805 446 N CB 0.336 38.769 38.487 -0.091 0.000 1.351 446 N HN 0.059 nan 8.380 nan 0.000 0.539 447 H N 0.012 119.008 119.070 -0.123 0.000 3.037 447 H HA 0.657 5.213 4.556 0.000 0.000 0.336 447 H C -2.876 172.409 175.328 -0.071 0.000 1.323 447 H CA -1.482 54.531 56.048 -0.058 0.000 1.159 447 H CB -0.359 29.409 29.762 0.010 0.000 1.882 447 H HN 0.166 nan 8.280 nan 0.000 0.535 448 P HA 0.316 nan 4.420 nan 0.000 0.270 448 P C -0.400 176.935 177.300 0.057 0.000 1.223 448 P CA -0.172 62.971 63.100 0.071 0.000 0.785 448 P CB 0.340 32.122 31.700 0.136 0.000 0.923 449 A N 2.067 124.880 122.820 -0.012 0.000 2.520 449 A HA 0.225 4.545 4.320 0.000 0.000 0.245 449 A C 0.101 177.742 177.584 0.095 0.000 1.072 449 A CA -0.209 51.797 52.037 -0.052 0.000 0.761 449 A CB -0.880 18.117 19.000 -0.005 0.000 1.004 449 A HN 0.445 nan 8.150 nan 0.000 0.499 450 F N 3.050 123.139 119.950 0.231 0.000 2.490 450 F HA 0.269 4.796 4.527 0.000 0.000 0.336 450 F C -1.061 174.815 175.800 0.126 0.000 1.178 450 F CA -1.322 56.788 58.000 0.183 0.000 1.301 450 F CB 0.220 39.293 39.000 0.121 0.000 1.175 450 F HN 0.447 nan 8.300 nan 0.000 0.593 451 P HA 0.064 nan 4.420 nan 0.000 0.272 451 P C -0.272 177.060 177.300 0.052 0.000 1.223 451 P CA -0.130 63.053 63.100 0.138 0.000 0.784 451 P CB 0.904 32.602 31.700 -0.003 0.000 0.923 452 E N 0.559 120.756 120.200 -0.005 0.000 2.107 452 E HA -0.122 4.229 4.350 0.000 0.000 0.191 452 E C -0.134 176.175 176.600 -0.484 0.000 0.982 452 E CA 1.314 57.585 56.400 -0.215 0.000 0.809 452 E CB -0.137 29.446 29.700 -0.196 0.000 0.756 452 E HN 0.522 nan 8.360 nan 0.000 0.459 453 Y N 0.324 120.599 120.300 -0.042 0.000 2.787 453 Y HA 0.277 4.827 4.550 0.000 0.000 0.352 453 Y C -2.362 173.466 175.900 -0.120 0.000 1.027 453 Y CA -2.602 55.449 58.100 -0.082 0.000 1.219 453 Y CB 0.998 39.420 38.460 -0.063 0.000 1.110 453 Y HN -0.037 nan 8.280 nan 0.000 0.614 454 P HA -0.013 nan 4.420 nan 0.000 0.269 454 P C 0.316 177.527 177.300 -0.149 0.000 1.215 454 P CA -0.324 62.677 63.100 -0.165 0.000 0.780 454 P CB 0.695 32.296 31.700 -0.165 0.000 0.898 455 M N 2.781 122.234 119.600 -0.245 0.000 2.232 455 M HA 0.129 4.609 4.480 0.000 0.000 0.321 455 M C -0.428 175.810 176.300 -0.103 0.000 1.101 455 M CA 0.739 55.938 55.300 -0.167 0.000 1.181 455 M CB -0.098 32.369 32.600 -0.222 0.000 1.432 455 M HN 0.326 nan 8.290 nan 0.000 0.457 456 R N 2.603 123.057 120.500 -0.077 0.000 2.628 456 R HA 0.664 5.004 4.340 0.000 0.000 0.288 456 R C -1.037 175.171 176.300 -0.153 0.000 0.980 456 R CA -0.602 55.446 56.100 -0.086 0.000 0.891 456 R CB 2.151 32.426 30.300 -0.041 0.000 1.188 456 R HN 0.897 nan 8.270 nan 0.000 0.450 457 R N -0.294 120.009 120.500 -0.329 0.000 2.835 457 R HA 0.244 4.584 4.340 0.000 0.000 0.271 457 R C -1.059 174.761 176.300 -0.799 0.000 1.013 457 R CA -0.743 55.134 56.100 -0.373 0.000 0.876 457 R CB 0.358 30.526 30.300 -0.220 0.000 1.348 457 R HN 0.561 nan 8.270 nan 0.000 0.453 458 D N -1.049 119.106 120.400 -0.409 0.000 2.407 458 D HA 0.153 4.793 4.640 0.000 0.000 0.208 458 D C -0.545 175.894 176.300 0.232 0.000 1.083 458 D CA 0.089 53.920 54.000 -0.282 0.000 0.844 458 D CB 0.892 41.767 40.800 0.126 0.000 0.967 458 D HN 0.459 nan 8.370 nan 0.000 0.506 459 T N 0.368 115.074 114.554 0.252 0.000 2.971 459 T HA 0.552 4.902 4.350 0.000 0.000 0.304 459 T C -1.572 173.349 174.700 0.368 0.000 1.038 459 T CA -0.662 61.703 62.100 0.440 0.000 1.007 459 T CB 2.057 71.123 68.868 0.330 0.000 1.055 459 T HN 0.089 nan 8.240 nan 0.000 0.451 460 L N 3.828 125.320 121.223 0.449 0.000 2.493 460 L HA 0.640 4.980 4.340 0.000 0.000 0.265 460 L C -1.440 175.708 176.870 0.464 0.000 0.954 460 L CA -0.860 54.171 54.840 0.318 0.000 0.844 460 L CB 1.412 43.561 42.059 0.150 0.000 1.302 460 L HN 0.735 nan 8.230 nan 0.000 0.405 461 Y N 3.827 124.390 120.300 0.437 0.000 2.310 461 Y HA 0.749 5.299 4.550 0.000 0.000 0.326 461 Y C -0.454 175.813 175.900 0.612 0.000 1.151 461 Y CA -1.356 57.043 58.100 0.499 0.000 1.195 461 Y CB 0.536 39.232 38.460 0.394 0.000 1.210 461 Y HN 0.331 nan 8.280 nan 0.000 0.483 462 V N 3.836 124.258 119.914 0.846 0.000 2.567 462 V HA 0.482 4.602 4.120 0.000 0.000 0.289 462 V C 0.357 176.829 176.094 0.629 0.000 1.049 462 V CA -1.284 61.416 62.300 0.666 0.000 0.969 462 V CB 0.768 32.894 31.823 0.505 0.000 0.995 462 V HN 0.855 nan 8.190 nan 0.000 0.471 463 R N 2.771 123.582 120.500 0.519 0.000 2.577 463 R HA 0.359 4.699 4.340 0.000 0.000 0.269 463 R C -2.519 173.993 176.300 0.353 0.000 1.084 463 R CA -1.780 54.568 56.100 0.414 0.000 1.163 463 R CB 0.315 30.820 30.300 0.342 0.000 1.100 463 R HN 0.450 nan 8.270 nan 0.000 0.547 464 P HA -0.142 nan 4.420 nan 0.000 0.260 464 P C -0.647 176.844 177.300 0.318 0.000 1.172 464 P CA 0.913 64.174 63.100 0.268 0.000 0.760 464 P CB 0.311 32.132 31.700 0.202 0.000 0.773 465 Q N -1.360 118.621 119.800 0.303 0.000 2.468 465 Q HA -0.239 4.101 4.340 0.000 0.000 0.256 465 Q C 0.444 176.647 176.000 0.339 0.000 0.984 465 Q CA 0.985 56.956 55.803 0.279 0.000 1.110 465 Q CB -1.641 27.256 28.738 0.265 0.000 1.527 465 Q HN 0.494 nan 8.270 nan 0.000 0.535 466 S N -0.243 115.691 115.700 0.390 0.000 2.702 466 S HA 0.662 5.132 4.470 0.000 0.000 0.272 466 S C -0.424 174.346 174.600 0.283 0.000 1.068 466 S CA 0.054 58.527 58.200 0.455 0.000 0.964 466 S CB 0.979 64.479 63.200 0.500 0.000 1.307 466 S HN 0.520 nan 8.310 nan 0.000 0.567 467 N N -0.681 118.189 118.700 0.282 0.000 2.708 467 N HA 0.590 5.330 4.740 0.000 0.000 0.257 467 N C -1.152 174.490 175.510 0.219 0.000 1.373 467 N CA -0.922 52.231 53.050 0.172 0.000 0.843 467 N CB 1.120 39.733 38.487 0.209 0.000 1.503 467 N HN 0.634 nan 8.380 nan 0.000 0.504 468 F N -2.130 117.871 119.950 0.084 0.000 2.662 468 F HA 0.885 5.412 4.527 0.000 0.000 0.312 468 F C -1.963 173.734 175.800 -0.171 0.000 1.113 468 F CA -1.323 56.674 58.000 -0.005 0.000 0.951 468 F CB 1.536 40.557 39.000 0.035 0.000 1.344 468 F HN 0.288 nan 8.300 nan 0.000 0.462 469 V N 3.538 123.557 119.914 0.174 0.000 2.525 469 V HA 0.519 4.639 4.120 0.000 0.000 0.299 469 V C -0.298 175.649 176.094 -0.244 0.000 1.034 469 V CA -0.660 61.523 62.300 -0.195 0.000 0.863 469 V CB 1.582 33.017 31.823 -0.646 0.000 0.999 469 V HN 0.828 nan 8.190 nan 0.000 0.423 470 I N 1.921 122.319 120.570 -0.287 0.000 2.740 470 I HA 0.839 5.009 4.170 0.000 0.000 0.303 470 I C -0.510 175.472 176.117 -0.225 0.000 1.044 470 I CA -0.887 60.221 61.300 -0.320 0.000 1.064 470 I CB 2.347 39.957 38.000 -0.650 0.000 1.249 470 I HN 0.463 nan 8.210 nan 0.000 0.433 471 R N 3.812 124.267 120.500 -0.075 0.000 2.744 471 R HA 0.772 5.112 4.340 0.000 0.000 0.279 471 R C -1.674 174.742 176.300 0.192 0.000 0.977 471 R CA -0.676 55.395 56.100 -0.048 0.000 0.906 471 R CB 2.656 32.916 30.300 -0.066 0.000 1.197 471 R HN 0.784 nan 8.270 nan 0.000 0.463 472 F N -1.373 118.465 119.950 -0.187 0.000 2.693 472 F HA 0.507 5.034 4.527 0.000 0.000 0.309 472 F C -1.343 174.134 175.800 -0.539 0.000 1.129 472 F CA -1.284 56.550 58.000 -0.275 0.000 0.948 472 F CB 1.421 40.247 39.000 -0.290 0.000 1.315 472 F HN 0.159 nan 8.300 nan 0.000 0.447 473 K N 1.747 121.850 120.400 -0.495 0.000 2.201 473 K HA 0.719 5.039 4.320 0.000 0.000 0.278 473 K C -0.372 176.142 176.600 -0.143 0.000 1.027 473 K CA -0.621 55.378 56.287 -0.480 0.000 0.909 473 K CB 1.562 33.794 32.500 -0.447 0.000 1.062 473 K HN 0.943 nan 8.250 nan 0.000 0.465 474 A N 4.538 127.251 122.820 -0.178 0.000 2.981 474 A HA 0.066 4.386 4.320 0.000 0.000 0.280 474 A C -0.308 177.327 177.584 0.084 0.000 1.743 474 A CA -0.232 51.833 52.037 0.047 0.000 1.430 474 A CB -0.504 18.494 19.000 -0.003 0.000 1.085 474 A HN 0.797 nan 8.150 nan 0.000 0.597 475 D N -0.357 120.119 120.400 0.127 0.000 2.501 475 D HA 0.062 4.702 4.640 0.000 0.000 0.224 475 D C -0.133 176.177 176.300 0.017 0.000 1.202 475 D CA -0.207 53.822 54.000 0.048 0.000 0.829 475 D CB -0.068 40.736 40.800 0.007 0.000 1.023 475 D HN 0.243 nan 8.370 nan 0.000 0.499 476 N N 1.176 119.923 118.700 0.078 0.000 2.790 476 N HA 0.266 5.006 4.740 0.000 0.000 0.256 476 N C -2.907 172.775 175.510 0.285 0.000 1.409 476 N CA -1.842 51.220 53.050 0.020 0.000 0.799 476 N CB 1.071 39.335 38.487 -0.372 0.000 1.170 476 N HN -0.220 nan 8.380 nan 0.000 0.507 477 P HA 0.143 nan 4.420 nan 0.000 0.257 477 P C 0.208 177.608 177.300 0.166 0.000 1.162 477 P CA 0.736 63.938 63.100 0.170 0.000 0.762 477 P CB 0.403 32.157 31.700 0.089 0.000 0.753 478 G N 1.104 109.889 108.800 -0.025 0.000 2.321 478 G HA2 0.363 4.324 3.960 0.000 0.000 0.296 478 G HA3 0.363 4.324 3.960 0.000 0.000 0.296 478 G C -1.942 172.339 174.900 -1.031 0.000 1.287 478 G CA -0.549 44.162 45.100 -0.648 0.000 0.846 478 G HN 0.272 nan 8.290 nan 0.000 0.508 479 V N 0.464 119.565 119.914 -1.354 0.000 2.376 479 V HA 0.626 4.746 4.120 0.000 0.000 0.287 479 V C -1.215 174.347 176.094 -0.886 0.000 1.015 479 V CA -0.286 61.496 62.300 -0.862 0.000 0.834 479 V CB 0.874 32.397 31.823 -0.500 0.000 1.001 479 V HN 0.613 nan 8.190 nan 0.000 0.428 480 W N 4.405 125.704 121.300 -0.001 0.000 2.600 480 W HA 0.601 5.261 4.660 0.000 0.000 0.325 480 W C -0.500 176.085 176.519 0.109 0.000 1.034 480 W CA -0.843 56.530 57.345 0.047 0.000 1.226 480 W CB 1.448 30.975 29.460 0.112 0.000 1.379 480 W HN 0.355 nan 8.180 nan 0.000 0.466 481 F N 4.096 124.041 119.950 -0.009 0.000 2.427 481 F HA 0.335 4.862 4.527 0.000 0.000 0.352 481 F C -0.622 175.345 175.800 0.279 0.000 1.100 481 F CA -1.943 56.032 58.000 -0.042 0.000 1.191 481 F CB 0.177 38.919 39.000 -0.430 0.000 1.128 481 F HN 0.180 nan 8.300 nan 0.000 0.533 482 F N 7.339 127.408 119.950 0.198 0.000 2.403 482 F HA 0.460 4.987 4.527 0.000 0.000 0.355 482 F C -0.956 174.917 175.800 0.122 0.000 1.119 482 F CA -0.346 57.708 58.000 0.090 0.000 1.007 482 F CB 0.248 39.245 39.000 -0.005 0.000 1.194 482 F HN 0.669 nan 8.300 nan 0.000 0.443 483 H N 2.128 120.923 119.070 -0.458 0.000 2.981 483 H HA 0.412 4.969 4.556 0.000 0.000 0.327 483 H C -1.460 173.864 175.328 -0.006 0.000 1.342 483 H CA -1.431 54.487 56.048 -0.217 0.000 1.123 483 H CB 0.672 30.055 29.762 -0.632 0.000 1.851 483 H HN 0.660 nan 8.280 nan 0.000 0.531 484 C N 1.937 121.243 119.300 0.009 0.000 2.632 484 C HA 0.099 4.559 4.460 0.000 0.000 0.415 484 C C 1.338 176.355 174.990 0.044 0.000 1.332 484 C CA -0.054 58.792 59.018 -0.287 0.000 1.874 484 C CB -0.834 26.727 27.740 -0.298 0.000 2.596 484 C HN 0.990 nan 8.230 nan 0.000 0.590 485 H N 3.922 122.973 119.070 -0.032 0.000 2.539 485 H HA 0.273 4.829 4.556 0.000 0.000 0.267 485 H C 0.498 175.863 175.328 0.062 0.000 0.982 485 H CA 0.411 56.524 56.048 0.110 0.000 1.146 485 H CB 0.072 29.904 29.762 0.118 0.000 1.382 485 H HN 0.640 nan 8.280 nan 0.000 0.577 486 I N 2.070 122.691 120.570 0.085 0.000 2.421 486 I HA -0.080 4.090 4.170 0.000 0.000 0.291 486 I C 1.555 177.549 176.117 -0.204 0.000 1.089 486 I CA -0.081 61.175 61.300 -0.073 0.000 1.354 486 I CB 0.970 38.804 38.000 -0.277 0.000 1.413 486 I HN 0.059 nan 8.210 nan 0.000 0.513 487 E N 4.932 124.913 120.200 -0.365 0.000 2.136 487 E HA -0.247 4.103 4.350 0.000 0.000 0.202 487 E C 1.779 178.075 176.600 -0.506 0.000 1.019 487 E CA 2.051 58.121 56.400 -0.550 0.000 0.819 487 E CB -0.059 29.089 29.700 -0.921 0.000 0.739 487 E HN 0.721 nan 8.360 nan 0.000 0.458 488 W N 0.072 121.154 121.300 -0.363 0.000 2.338 488 W HA -0.155 4.505 4.660 0.000 0.000 0.304 488 W C 2.376 178.948 176.519 0.089 0.000 1.212 488 W CA 1.112 58.214 57.345 -0.405 0.000 1.264 488 W CB -0.722 28.192 29.460 -0.910 0.000 1.142 488 W HN 0.330 nan 8.180 nan 0.000 0.512 489 H N -0.589 118.586 119.070 0.175 0.000 2.403 489 H HA -0.091 4.465 4.556 0.000 0.000 0.298 489 H C 2.110 177.508 175.328 0.116 0.000 1.059 489 H CA 0.933 57.089 56.048 0.179 0.000 1.363 489 H CB -0.217 29.637 29.762 0.153 0.000 1.410 489 H HN 0.047 nan 8.280 nan 0.000 0.528 490 L N 1.025 122.355 121.223 0.179 0.000 2.083 490 L HA -0.123 4.217 4.340 0.000 0.000 0.209 490 L C 1.947 178.909 176.870 0.152 0.000 1.083 490 L CA 1.254 56.158 54.840 0.107 0.000 0.752 490 L CB -0.461 41.603 42.059 0.009 0.000 0.899 490 L HN 0.225 nan 8.230 nan 0.000 0.433 491 L N -0.860 120.466 121.223 0.173 0.000 2.083 491 L HA -0.222 4.118 4.340 0.000 0.000 0.209 491 L C 2.454 179.488 176.870 0.273 0.000 1.083 491 L CA 1.264 56.243 54.840 0.231 0.000 0.752 491 L CB -0.374 41.858 42.059 0.289 0.000 0.899 491 L HN 0.403 nan 8.230 nan 0.000 0.433 492 Q N -0.425 119.555 119.800 0.300 0.000 2.515 492 Q HA -0.003 4.337 4.340 0.000 0.000 0.212 492 Q C 1.152 177.266 176.000 0.190 0.000 0.970 492 Q CA 0.593 56.529 55.803 0.222 0.000 0.941 492 Q CB 0.215 29.064 28.738 0.184 0.000 0.998 492 Q HN 0.619 nan 8.270 nan 0.000 0.518 493 G N 0.958 109.868 108.800 0.184 0.000 2.142 493 G HA2 -0.245 3.715 3.960 0.000 0.000 0.225 493 G HA3 -0.245 3.715 3.960 0.000 0.000 0.225 493 G C -0.082 174.880 174.900 0.104 0.000 1.015 493 G CA -0.378 44.827 45.100 0.175 0.000 0.716 493 G HN 0.364 nan 8.290 nan 0.000 0.508 494 L N 1.217 122.457 121.223 0.028 0.000 2.384 494 L HA 0.515 4.855 4.340 0.000 0.000 0.258 494 L C 0.912 177.751 176.870 -0.053 0.000 1.266 494 L CA 0.742 55.483 54.840 -0.165 0.000 1.162 494 L CB -0.503 41.460 42.059 -0.159 0.000 1.375 494 L HN 0.409 nan 8.230 nan 0.000 0.420 495 G N 2.926 111.837 108.800 0.185 0.000 2.698 495 G HA2 0.594 4.554 3.960 0.000 0.000 0.293 495 G HA3 0.594 4.554 3.960 0.000 0.000 0.293 495 G C -1.756 173.519 174.900 0.626 0.000 1.437 495 G CA -0.556 44.710 45.100 0.276 0.000 0.852 495 G HN 0.257 nan 8.290 nan 0.000 0.499 496 L N -1.542 119.995 121.223 0.523 0.000 2.469 496 L HA 0.927 5.267 4.340 0.000 0.000 0.256 496 L C -1.009 176.155 176.870 0.491 0.000 1.006 496 L CA -1.331 53.806 54.840 0.495 0.000 0.832 496 L CB 1.760 43.914 42.059 0.158 0.000 1.421 496 L HN 0.425 nan 8.230 nan 0.000 0.410 497 V N 2.305 122.464 119.914 0.408 0.000 2.495 497 V HA 0.554 4.674 4.120 0.000 0.000 0.298 497 V C -0.224 176.002 176.094 0.219 0.000 1.031 497 V CA -0.450 62.028 62.300 0.296 0.000 0.871 497 V CB 1.551 33.478 31.823 0.173 0.000 0.988 497 V HN 0.663 nan 8.190 nan 0.000 0.432 498 L N 5.059 126.400 121.223 0.196 0.000 2.287 498 L HA 0.592 4.933 4.340 0.000 0.000 0.287 498 L C -0.648 176.242 176.870 0.034 0.000 1.022 498 L CA -0.755 54.187 54.840 0.171 0.000 0.814 498 L CB 1.878 44.093 42.059 0.259 0.000 1.217 498 L HN 0.367 nan 8.230 nan 0.000 0.420 499 V N 2.999 122.881 119.914 -0.053 0.000 2.311 499 V HA 0.233 4.353 4.120 0.000 0.000 0.275 499 V C 0.159 176.223 176.094 -0.050 0.000 1.022 499 V CA -0.601 61.591 62.300 -0.180 0.000 0.830 499 V CB 1.227 32.804 31.823 -0.410 0.000 1.012 499 V HN 0.710 nan 8.190 nan 0.000 0.452 500 E N 3.944 124.154 120.200 0.017 0.000 2.259 500 E HA 0.153 4.503 4.350 0.000 0.000 0.281 500 E C -0.124 176.501 176.600 0.041 0.000 1.027 500 E CA -0.537 55.937 56.400 0.123 0.000 0.838 500 E CB 0.693 30.600 29.700 0.345 0.000 1.066 500 E HN 0.919 nan 8.360 nan 0.000 0.401 501 D N 5.755 126.178 120.400 0.038 0.000 8.133 501 D HA -0.176 4.464 4.640 0.000 0.000 0.154 501 D C -1.637 174.631 176.300 -0.053 0.000 1.258 501 D CA -0.343 53.659 54.000 0.003 0.000 0.886 501 D CB -0.005 40.838 40.800 0.071 0.000 1.696 501 D HN 0.271 nan 8.370 nan 0.000 0.965 502 P HA -0.208 nan 4.420 nan 0.000 0.218 502 P C 1.515 178.727 177.300 -0.147 0.000 1.146 502 P CA 1.058 64.032 63.100 -0.210 0.000 0.813 502 P CB -0.163 31.357 31.700 -0.299 0.000 0.778 503 F N 0.198 120.172 119.950 0.039 0.000 2.206 503 F HA 0.024 4.551 4.527 0.000 0.000 0.298 503 F C 2.782 178.598 175.800 0.027 0.000 1.090 503 F CA 0.752 58.771 58.000 0.032 0.000 1.323 503 F CB -1.254 37.765 39.000 0.031 0.000 1.028 503 F HN -0.037 nan 8.300 nan 0.000 0.492 504 G N 0.828 109.739 108.800 0.185 0.000 2.442 504 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 504 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 504 G C 1.654 176.602 174.900 0.081 0.000 1.141 504 G CA 0.977 46.147 45.100 0.117 0.000 0.763 504 G HN 0.318 nan 8.290 nan 0.000 0.554 505 I N 0.137 120.737 120.570 0.049 0.000 2.142 505 I HA -0.237 3.933 4.170 0.000 0.000 0.240 505 I C 3.052 179.187 176.117 0.030 0.000 1.078 505 I CA 1.388 62.695 61.300 0.013 0.000 1.343 505 I CB -0.303 37.672 38.000 -0.042 0.000 1.046 505 I HN 0.218 nan 8.210 nan 0.000 0.405 506 Q N 0.268 120.107 119.800 0.064 0.000 2.124 506 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 506 Q C 1.737 177.780 176.000 0.073 0.000 0.977 506 Q CA 1.433 57.281 55.803 0.075 0.000 0.850 506 Q CB -0.077 28.742 28.738 0.135 0.000 0.901 506 Q HN 0.493 nan 8.270 nan 0.000 0.429 507 D N 0.542 120.997 120.400 0.091 0.000 2.183 507 D HA -0.012 4.628 4.640 0.000 0.000 0.203 507 D C 0.223 176.569 176.300 0.076 0.000 0.969 507 D CA 0.525 54.573 54.000 0.080 0.000 0.842 507 D CB -0.009 40.841 40.800 0.084 0.000 0.957 507 D HN 0.147 nan 8.370 nan 0.000 0.484 508 A N 1.088 123.951 122.820 0.071 0.000 2.409 508 A HA 0.013 4.333 4.320 0.000 0.000 0.267 508 A C 1.221 178.854 177.584 0.082 0.000 1.127 508 A CA -0.184 51.901 52.037 0.081 0.000 0.795 508 A CB 0.240 19.281 19.000 0.068 0.000 1.061 508 A HN 0.234 nan 8.150 nan 0.000 0.502 509 H N 3.236 122.318 119.070 0.019 0.000 2.357 509 H HA -0.142 4.414 4.556 0.000 0.000 0.301 509 H C 2.093 177.422 175.328 0.002 0.000 1.082 509 H CA 2.340 58.394 56.048 0.010 0.000 1.342 509 H CB -0.017 29.751 29.762 0.010 0.000 1.389 509 H HN 0.803 nan 8.280 nan 0.000 0.511 510 S N -0.076 115.704 115.700 0.133 0.000 2.462 510 S HA -0.197 4.273 4.470 0.000 0.000 0.243 510 S C 2.016 176.595 174.600 -0.036 0.000 1.003 510 S CA 1.606 59.847 58.200 0.070 0.000 0.970 510 S CB -0.243 63.017 63.200 0.100 0.000 0.762 510 S HN 0.392 nan 8.310 nan 0.000 0.510 511 Q N 0.463 120.228 119.800 -0.059 0.000 2.402 511 Q HA 0.213 4.553 4.340 0.000 0.000 0.206 511 Q C 0.239 176.164 176.000 -0.124 0.000 0.919 511 Q CA 0.251 56.009 55.803 -0.074 0.000 0.923 511 Q CB 0.081 28.794 28.738 -0.043 0.000 1.048 511 Q HN 0.500 nan 8.270 nan 0.000 0.515 512 Q N 0.653 120.346 119.800 -0.178 0.000 2.361 512 Q HA 0.052 4.392 4.340 0.000 0.000 0.276 512 Q C -0.398 175.491 176.000 -0.185 0.000 1.022 512 Q CA 0.322 56.012 55.803 -0.187 0.000 0.898 512 Q CB 0.296 28.878 28.738 -0.258 0.000 1.246 512 Q HN 0.334 nan 8.270 nan 0.000 0.410 513 L N 1.741 122.873 121.223 -0.151 0.000 2.453 513 L HA 0.067 4.407 4.340 0.000 0.000 0.272 513 L C 0.989 177.773 176.870 -0.144 0.000 1.182 513 L CA -0.179 54.563 54.840 -0.164 0.000 0.858 513 L CB 0.281 42.287 42.059 -0.090 0.000 1.120 513 L HN 0.671 nan 8.230 nan 0.000 0.474 514 S N 1.751 117.340 115.700 -0.185 0.000 2.614 514 S HA 0.145 4.615 4.470 0.000 0.000 0.265 514 S C 0.945 175.534 174.600 -0.019 0.000 1.303 514 S CA -0.791 57.349 58.200 -0.101 0.000 1.000 514 S CB 1.234 64.367 63.200 -0.112 0.000 0.935 514 S HN 0.600 nan 8.310 nan 0.000 0.551 515 E N 1.667 121.865 120.200 -0.002 0.000 2.049 515 E HA -0.241 4.109 4.350 0.000 0.000 0.198 515 E C 1.931 178.554 176.600 0.039 0.000 1.007 515 E CA 1.340 57.750 56.400 0.017 0.000 0.809 515 E CB -0.820 28.890 29.700 0.017 0.000 0.749 515 E HN 0.838 nan 8.360 nan 0.000 0.450 516 N N 0.854 119.588 118.700 0.057 0.000 2.061 516 N HA -0.231 4.509 4.740 0.000 0.000 0.193 516 N C 1.799 177.345 175.510 0.059 0.000 1.030 516 N CA 1.378 54.467 53.050 0.065 0.000 0.856 516 N CB -0.235 38.297 38.487 0.076 0.000 1.023 516 N HN 0.400 nan 8.380 nan 0.000 0.424 517 H N -0.149 118.874 119.070 -0.079 0.000 2.321 517 H HA -0.073 4.483 4.556 0.000 0.000 0.300 517 H C 2.008 177.293 175.328 -0.072 0.000 1.087 517 H CA 0.940 56.931 56.048 -0.095 0.000 1.319 517 H CB 0.197 29.895 29.762 -0.105 0.000 1.379 517 H HN 0.195 nan 8.280 nan 0.000 0.501 518 L N 1.083 122.349 121.223 0.072 0.000 2.079 518 L HA -0.162 4.178 4.340 0.000 0.000 0.210 518 L C 2.504 179.376 176.870 0.004 0.000 1.081 518 L CA 1.406 56.258 54.840 0.021 0.000 0.752 518 L CB -1.135 40.932 42.059 0.013 0.000 0.896 518 L HN 0.299 nan 8.230 nan 0.000 0.433 519 E N -0.059 120.145 120.200 0.008 0.000 2.110 519 E HA -0.148 4.202 4.350 0.000 0.000 0.193 519 E C 2.236 178.827 176.600 -0.015 0.000 0.988 519 E CA 1.070 57.471 56.400 0.001 0.000 0.804 519 E CB -0.180 29.527 29.700 0.011 0.000 0.745 519 E HN 0.219 nan 8.360 nan 0.000 0.458 520 V N -0.274 119.614 119.914 -0.043 0.000 2.295 520 V HA -0.324 3.796 4.120 0.000 0.000 0.246 520 V C 2.608 178.667 176.094 -0.057 0.000 1.049 520 V CA 1.759 64.018 62.300 -0.069 0.000 1.024 520 V CB -0.579 31.153 31.823 -0.152 0.000 0.648 520 V HN 0.447 nan 8.190 nan 0.000 0.447 521 c N -0.788 117.777 118.600 -0.057 0.000 2.436 521 c HA -0.211 4.359 4.570 0.000 0.000 0.277 521 c C 2.889 176.967 174.090 -0.020 0.000 1.241 521 c CA 1.392 57.692 56.329 -0.048 0.000 1.721 521 c CB -0.937 41.548 42.510 -0.043 0.000 2.043 521 c HN 0.593 nan 8.230 nan 0.000 0.472 522 Q N -0.250 119.544 119.800 -0.010 0.000 2.096 522 Q HA -0.203 4.138 4.340 0.000 0.000 0.204 522 Q C 2.407 178.410 176.000 0.005 0.000 0.982 522 Q CA 1.946 57.750 55.803 0.001 0.000 0.850 522 Q CB -0.287 28.453 28.738 0.004 0.000 0.901 522 Q HN 0.651 nan 8.270 nan 0.000 0.422 523 S N -1.000 114.702 115.700 0.003 0.000 2.447 523 S HA -0.121 4.349 4.470 0.000 0.000 0.233 523 S C 1.690 176.298 174.600 0.014 0.000 1.006 523 S CA 0.827 59.033 58.200 0.010 0.000 0.957 523 S CB -0.182 63.023 63.200 0.009 0.000 0.773 523 S HN 0.578 nan 8.310 nan 0.000 0.507 524 C N 2.155 121.459 119.300 0.007 0.000 2.791 524 C HA 0.376 4.836 4.460 0.000 0.000 0.270 524 C C 0.894 175.902 174.990 0.029 0.000 1.257 524 C CA 0.386 59.413 59.018 0.015 0.000 1.699 524 C CB -1.764 25.971 27.740 -0.008 0.000 1.904 524 C HN 0.673 nan 8.230 nan 0.000 0.603 525 S N 0.069 115.783 115.700 0.023 0.000 3.550 525 S HA -0.149 4.322 4.470 0.000 0.000 0.372 525 S C -0.327 174.298 174.600 0.042 0.000 0.966 525 S CA 0.577 58.794 58.200 0.029 0.000 1.229 525 S CB -2.493 60.726 63.200 0.031 0.000 0.917 525 S HN 0.584 nan 8.310 nan 0.000 0.496 526 V N 0.686 120.621 119.914 0.034 0.000 2.487 526 V HA 0.800 4.920 4.120 0.000 0.000 0.298 526 V C 0.684 176.797 176.094 0.031 0.000 1.028 526 V CA -0.431 61.901 62.300 0.054 0.000 0.860 526 V CB 1.611 33.453 31.823 0.031 0.000 0.991 526 V HN 0.840 nan 8.190 nan 0.000 0.427 527 A N 2.927 125.774 122.820 0.046 0.000 2.366 527 A HA 0.531 4.851 4.320 0.000 0.000 0.249 527 A C 0.650 178.246 177.584 0.019 0.000 1.084 527 A CA 0.227 52.281 52.037 0.028 0.000 0.794 527 A CB 0.531 19.548 19.000 0.028 0.000 1.034 527 A HN 0.936 nan 8.150 nan 0.000 0.491 528 T N 0.645 115.204 114.554 0.008 0.000 3.378 528 T HA 0.405 4.755 4.350 0.000 0.000 0.359 528 T C 0.141 174.842 174.700 0.002 0.000 1.815 528 T CA -0.327 61.775 62.100 0.003 0.000 1.509 528 T CB -0.637 68.228 68.868 -0.005 0.000 1.049 528 T HN 0.728 nan 8.240 nan 0.000 0.705 529 E N 1.752 121.955 120.200 0.004 0.000 3.868 529 E HA 0.556 4.906 4.350 0.000 0.000 0.331 529 E C 0.631 177.222 176.600 -0.015 0.000 0.699 529 E CA -0.770 55.627 56.400 -0.005 0.000 1.672 529 E CB 0.612 30.310 29.700 -0.003 0.000 2.271 529 E HN 0.415 nan 8.360 nan 0.000 0.482 530 G N 1.419 110.204 108.800 -0.026 0.000 4.341 530 G HA2 0.159 4.119 3.960 0.000 0.000 0.251 530 G HA3 0.159 4.119 3.960 0.000 0.000 0.251 530 G C -0.804 174.057 174.900 -0.066 0.000 1.036 530 G CA -0.500 44.566 45.100 -0.056 0.000 0.708 530 G HN 0.257 nan 8.290 nan 0.000 0.510 531 N N 0.437 119.115 118.700 -0.036 0.000 2.472 531 N HA -0.131 4.609 4.740 0.000 0.000 0.294 531 N C 1.320 176.811 175.510 -0.032 0.000 1.496 531 N CA 1.661 54.695 53.050 -0.026 0.000 0.716 531 N CB -0.389 38.074 38.487 -0.040 0.000 0.993 531 N HN 1.922 nan 8.380 nan 0.000 0.470 532 A N 1.764 124.572 122.820 -0.019 0.000 4.832 532 A HA -0.257 4.063 4.320 0.000 0.000 0.351 532 A C 1.041 178.613 177.584 -0.020 0.000 1.699 532 A CA 3.329 55.353 52.037 -0.021 0.000 0.731 532 A CB -1.995 16.985 19.000 -0.033 0.000 1.480 532 A HN 2.273 nan 8.150 nan 0.000 0.447 533 A N -0.229 122.574 122.820 -0.028 0.000 2.555 533 A HA 0.506 4.826 4.320 0.000 0.000 0.233 533 A C 0.933 178.503 177.584 -0.023 0.000 1.060 533 A CA 1.033 53.054 52.037 -0.026 0.000 0.759 533 A CB -0.347 18.635 19.000 -0.031 0.000 0.995 533 A HN 2.392 nan 8.150 nan 0.000 0.506 534 A N 3.213 126.023 122.820 -0.018 0.000 3.048 534 A HA 0.363 4.683 4.320 0.000 0.000 0.264 534 A C 0.699 178.273 177.584 -0.016 0.000 1.796 534 A CA -0.152 51.877 52.037 -0.014 0.000 1.445 534 A CB -1.236 17.758 19.000 -0.010 0.000 1.074 534 A HN 0.980 nan 8.150 nan 0.000 0.621 535 N N -0.033 118.654 118.700 -0.021 0.000 2.701 535 N HA -0.172 4.569 4.740 0.000 0.000 0.252 535 N C 0.840 176.337 175.510 -0.021 0.000 1.002 535 N CA 1.701 54.737 53.050 -0.023 0.000 0.758 535 N CB -1.065 37.412 38.487 -0.017 0.000 0.937 535 N HN 0.741 nan 8.380 nan 0.000 0.538 536 T N -2.130 112.410 114.554 -0.023 0.000 3.114 536 T HA 0.278 4.628 4.350 0.000 0.000 0.240 536 T C 1.258 175.945 174.700 -0.021 0.000 0.983 536 T CA 0.646 62.735 62.100 -0.019 0.000 1.151 536 T CB 0.086 68.944 68.868 -0.017 0.000 0.974 536 T HN 0.177 nan 8.240 nan 0.000 0.442 537 L N -0.129 121.078 121.223 -0.026 0.000 2.948 537 L HA 0.436 4.776 4.340 0.000 0.000 0.259 537 L C 0.229 177.077 176.870 -0.036 0.000 1.136 537 L CA 0.648 55.472 54.840 -0.027 0.000 0.959 537 L CB 0.687 42.731 42.059 -0.025 0.000 1.370 537 L HN 0.110 nan 8.230 nan 0.000 0.552 538 D N -0.419 119.954 120.400 -0.045 0.000 3.028 538 D HA -0.183 4.457 4.640 0.000 0.000 0.211 538 D C -0.373 175.886 176.300 -0.069 0.000 1.136 538 D CA 1.157 55.118 54.000 -0.065 0.000 0.987 538 D CB -0.612 40.145 40.800 -0.072 0.000 1.128 538 D HN 0.038 nan 8.370 nan 0.000 0.406 539 L N 0.918 122.110 121.223 -0.052 0.000 2.272 539 L HA 0.396 4.736 4.340 0.000 0.000 0.289 539 L C 1.413 178.257 176.870 -0.044 0.000 1.032 539 L CA -0.603 54.208 54.840 -0.048 0.000 0.810 539 L CB 0.910 42.946 42.059 -0.037 0.000 1.205 539 L HN 0.044 nan 8.230 nan 0.000 0.422 540 T N -1.387 113.139 114.554 -0.048 0.000 2.732 540 T HA 0.430 4.780 4.350 0.000 0.000 0.287 540 T C -0.148 174.528 174.700 -0.041 0.000 0.993 540 T CA -0.522 61.549 62.100 -0.047 0.000 0.966 540 T CB 1.023 69.859 68.868 -0.052 0.000 1.047 540 T HN 0.502 nan 8.240 nan 0.000 0.527 541 D N 1.379 121.754 120.400 -0.042 0.000 2.978 541 D HA 0.262 4.902 4.640 0.000 0.000 0.268 541 D C 0.168 176.441 176.300 -0.046 0.000 1.252 541 D CA -0.290 53.686 54.000 -0.040 0.000 0.771 541 D CB 0.418 41.198 40.800 -0.034 0.000 1.361 541 D HN 0.359 nan 8.370 nan 0.000 0.558 542 L N -0.302 120.889 121.223 -0.054 0.000 2.615 542 L HA 0.414 4.754 4.340 0.000 0.000 0.155 542 L C 1.188 178.013 176.870 -0.075 0.000 1.194 542 L CA 0.042 54.843 54.840 -0.065 0.000 1.826 542 L CB -0.753 41.263 42.059 -0.073 0.000 2.324 542 L HN 0.053 nan 8.230 nan 0.000 0.520 543 T N -0.584 113.912 114.554 -0.097 0.000 3.078 543 T HA 0.671 5.021 4.350 0.000 0.000 0.328 543 T C -0.327 174.292 174.700 -0.135 0.000 0.987 543 T CA -0.357 61.674 62.100 -0.115 0.000 1.049 543 T CB -0.243 68.542 68.868 -0.138 0.000 1.011 543 T HN 0.829 nan 8.240 nan 0.000 0.463 544 G N 2.687 111.416 108.800 -0.119 0.000 2.511 544 G HA2 0.619 4.579 3.960 0.000 0.000 0.316 544 G HA3 0.619 4.579 3.960 0.000 0.000 0.316 544 G C -0.233 174.578 174.900 -0.147 0.000 1.210 544 G CA -0.884 44.141 45.100 -0.124 0.000 0.969 544 G HN 0.884 nan 8.290 nan 0.000 0.492 545 E N -0.568 119.538 120.200 -0.156 0.000 2.349 545 E HA 0.121 4.471 4.350 0.000 0.000 0.262 545 E C -0.429 176.077 176.600 -0.157 0.000 1.088 545 E CA -0.554 55.724 56.400 -0.203 0.000 0.899 545 E CB 0.892 30.461 29.700 -0.217 0.000 1.044 545 E HN 0.432 nan 8.360 nan 0.000 0.420 546 N N 0.427 119.014 118.700 -0.189 0.000 2.407 546 N HA 0.040 4.780 4.740 0.000 0.000 0.250 546 N C -0.128 175.335 175.510 -0.078 0.000 1.236 546 N CA -0.196 52.786 53.050 -0.113 0.000 0.879 546 N CB 0.723 39.160 38.487 -0.082 0.000 1.088 546 N HN 0.396 nan 8.380 nan 0.000 0.450 547 V N 0.026 119.901 119.914 -0.065 0.000 3.376 547 V HA 0.080 4.200 4.120 0.000 0.000 0.303 547 V C 0.674 176.739 176.094 -0.049 0.000 1.100 547 V CA -0.592 61.677 62.300 -0.050 0.000 1.126 547 V CB 0.491 32.285 31.823 -0.048 0.000 1.085 547 V HN 0.585 nan 8.190 nan 0.000 0.480 548 Q N -0.781 119.002 119.800 -0.029 0.000 2.396 548 Q HA 0.240 4.580 4.340 0.000 0.000 0.221 548 Q C 0.608 176.605 176.000 -0.005 0.000 1.025 548 Q CA 0.285 56.082 55.803 -0.011 0.000 0.946 548 Q CB 0.421 29.150 28.738 -0.015 0.000 1.224 548 Q HN 0.827 nan 8.270 nan 0.000 0.539 549 H N -0.462 118.603 119.070 -0.010 0.000 2.526 549 H HA 0.411 4.967 4.556 0.000 0.000 0.274 549 H C -0.139 175.182 175.328 -0.013 0.000 0.999 549 H CA -0.067 55.979 56.048 -0.005 0.000 1.157 549 H CB 0.433 30.195 29.762 0.001 0.000 1.407 549 H HN 0.590 nan 8.280 nan 0.000 0.568 550 A N 0.000 122.885 122.820 0.109 0.000 2.254 550 A HA 0.000 4.320 4.320 0.000 0.000 0.244 550 A CA 0.000 52.072 52.037 0.059 0.000 0.836 550 A CB 0.000 19.014 19.000 0.023 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486