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_E 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 0.000 176.555 176.600 -0.075 0.000 1.382 22 E CA 0.000 56.356 56.400 -0.072 0.000 0.976 22 E CB 0.000 29.646 29.700 -0.090 0.000 0.812 23 T N 3.205 117.658 114.554 -0.167 0.000 2.749 23 T HA 0.373 4.723 4.350 0.000 0.000 0.287 23 T C -0.708 173.803 174.700 -0.315 0.000 0.970 23 T CA -0.463 61.537 62.100 -0.167 0.000 0.980 23 T CB 0.343 69.118 68.868 -0.154 0.000 0.924 23 T HN 0.221 nan 8.240 nan 0.000 0.456 24 H N 2.604 121.523 119.070 -0.253 0.000 2.581 24 H HA 0.338 4.894 4.556 0.000 0.000 0.308 24 H C -0.203 174.771 175.328 -0.590 0.000 1.040 24 H CA -0.484 55.317 56.048 -0.412 0.000 1.231 24 H CB 1.056 30.666 29.762 -0.253 0.000 1.396 24 H HN 0.459 nan 8.280 nan 0.000 0.467 25 T N 5.100 119.280 114.554 -0.624 0.000 2.779 25 T HA 0.388 4.738 4.350 0.000 0.000 0.280 25 T C -0.261 174.006 174.700 -0.723 0.000 0.987 25 T CA -0.508 61.288 62.100 -0.508 0.000 0.966 25 T CB 0.463 69.189 68.868 -0.236 0.000 0.933 25 T HN 0.249 nan 8.240 nan 0.000 0.442 26 F N 2.200 122.001 119.950 -0.249 0.000 2.546 26 F HA 0.536 5.063 4.527 0.000 0.000 0.320 26 F C 0.497 176.122 175.800 -0.291 0.000 1.076 26 F CA -1.191 56.574 58.000 -0.392 0.000 0.928 26 F CB 1.531 39.916 39.000 -1.025 0.000 1.189 26 F HN 0.350 nan 8.300 nan 0.000 0.465 27 N N 2.533 121.276 118.700 0.073 0.000 2.626 27 N HA 0.231 4.971 4.740 0.000 0.000 0.242 27 N C -2.082 173.673 175.510 0.408 0.000 1.005 27 N CA -0.463 52.705 53.050 0.196 0.000 0.905 27 N CB 0.465 39.048 38.487 0.159 0.000 1.128 27 N HN 0.403 nan 8.380 nan 0.000 0.512 28 W N 1.982 123.409 121.300 0.212 0.000 2.587 28 W HA 0.453 5.113 4.660 -0.000 0.000 0.324 28 W C -0.374 176.230 176.519 0.142 0.000 1.040 28 W CA -0.672 56.753 57.345 0.134 0.000 1.222 28 W CB 1.234 30.806 29.460 0.186 0.000 1.381 28 W HN 0.152 nan 8.180 nan 0.000 0.483 29 T N 1.744 116.455 114.554 0.260 0.000 2.809 29 T HA 0.330 4.680 4.350 0.000 0.000 0.284 29 T C 0.293 175.069 174.700 0.126 0.000 0.992 29 T CA -0.469 61.745 62.100 0.192 0.000 0.957 29 T CB 1.300 70.246 68.868 0.130 0.000 0.942 29 T HN 0.322 nan 8.240 nan 0.000 0.439 30 T N 1.159 115.839 114.554 0.210 0.000 2.926 30 T HA 0.631 4.981 4.350 0.000 0.000 0.307 30 T C 0.555 175.283 174.700 0.047 0.000 1.059 30 T CA -0.481 61.731 62.100 0.187 0.000 1.122 30 T CB 1.019 70.009 68.868 0.203 0.000 0.972 30 T HN 0.836 nan 8.240 nan 0.000 0.545 31 G N 0.515 109.279 108.800 -0.060 0.000 2.608 31 G HA2 0.513 4.473 3.960 0.000 0.000 0.291 31 G HA3 0.513 4.473 3.960 0.000 0.000 0.291 31 G C -2.285 172.466 174.900 -0.248 0.000 1.425 31 G CA -1.317 43.737 45.100 -0.076 0.000 0.787 31 G HN 0.749 nan 8.290 nan 0.000 0.484 32 W N 0.343 121.690 121.300 0.078 0.000 2.587 32 W HA 0.670 5.330 4.660 -0.000 0.000 0.324 32 W C -0.658 175.877 176.519 0.027 0.000 1.040 32 W CA -0.290 57.077 57.345 0.037 0.000 1.222 32 W CB 2.463 31.929 29.460 0.009 0.000 1.381 32 W HN 0.317 nan 8.180 nan 0.000 0.483 33 D N 0.974 121.523 120.400 0.248 0.000 2.661 33 D HA 0.191 4.831 4.640 0.000 0.000 0.228 33 D C -1.396 174.967 176.300 0.104 0.000 1.210 33 D CA -0.843 53.269 54.000 0.186 0.000 0.826 33 D CB 2.108 42.989 40.800 0.135 0.000 1.542 33 D HN 0.125 nan 8.370 nan 0.000 0.447 34 Y N 1.256 121.600 120.300 0.074 0.000 2.377 34 Y HA 0.283 4.833 4.550 -0.000 0.000 0.330 34 Y C 0.987 176.886 175.900 -0.002 0.000 1.108 34 Y CA 0.247 58.371 58.100 0.041 0.000 1.308 34 Y CB 0.684 39.163 38.460 0.031 0.000 1.216 34 Y HN -0.063 nan 8.280 nan 0.000 0.518 35 R N 1.604 122.145 120.500 0.068 0.000 2.808 35 R HA 0.261 4.601 4.340 0.000 0.000 0.272 35 R C -1.160 175.160 176.300 0.034 0.000 0.995 35 R CA -1.126 54.977 56.100 0.005 0.000 0.917 35 R CB 1.565 31.763 30.300 -0.170 0.000 1.217 35 R HN 0.518 nan 8.270 nan 0.000 0.471 36 N N 1.674 120.384 118.700 0.017 0.000 3.044 36 N HA 0.100 4.840 4.740 0.000 0.000 0.254 36 N C 0.625 176.099 175.510 -0.062 0.000 1.253 36 N CA -0.018 53.038 53.050 0.010 0.000 0.944 36 N CB 0.687 39.186 38.487 0.021 0.000 1.217 36 N HN 0.265 nan 8.380 nan 0.000 0.498 37 V N 1.226 121.038 119.914 -0.171 0.000 2.270 37 V HA -0.179 3.941 4.120 0.000 0.000 0.245 37 V C 1.991 177.878 176.094 -0.346 0.000 1.043 37 V CA 1.469 63.533 62.300 -0.392 0.000 1.014 37 V CB -0.353 30.843 31.823 -1.044 0.000 0.645 37 V HN 0.489 nan 8.190 nan 0.000 0.447 38 D N -0.143 120.081 120.400 -0.294 0.000 2.133 38 D HA -0.108 4.532 4.640 0.000 0.000 0.195 38 D C 1.837 178.135 176.300 -0.004 0.000 0.997 38 D CA 1.990 55.959 54.000 -0.050 0.000 0.840 38 D CB -0.157 40.812 40.800 0.282 0.000 0.947 38 D HN 0.561 nan 8.370 nan 0.000 0.452 39 G N -0.509 108.291 108.800 0.001 0.000 2.218 39 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 39 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 39 G C 0.906 175.834 174.900 0.047 0.000 0.994 39 G CA 0.448 45.560 45.100 0.020 0.000 0.637 39 G HN 0.457 nan 8.290 nan 0.000 0.505 40 L N -3.236 118.030 121.223 0.072 0.000 3.298 40 L HA 0.703 5.043 4.340 0.000 0.000 0.296 40 L C 0.011 176.874 176.870 -0.012 0.000 1.237 40 L CA -0.456 54.431 54.840 0.078 0.000 1.038 40 L CB 0.647 42.802 42.059 0.160 0.000 1.423 40 L HN -0.010 nan 8.230 nan 0.000 0.605 41 K N 1.565 121.910 120.400 -0.091 0.000 2.635 41 K HA 0.226 4.546 4.320 0.000 0.000 0.266 41 K C -1.136 175.451 176.600 -0.021 0.000 1.033 41 K CA 0.119 56.310 56.287 -0.160 0.000 0.919 41 K CB 2.514 34.656 32.500 -0.597 0.000 1.289 41 K HN 0.039 nan 8.250 nan 0.000 0.463 42 S N 3.504 119.231 115.700 0.045 0.000 2.510 42 S HA 0.322 4.793 4.470 0.000 0.000 0.279 42 S C -0.211 174.531 174.600 0.236 0.000 1.284 42 S CA -0.026 58.261 58.200 0.144 0.000 1.059 42 S CB 0.236 63.517 63.200 0.136 0.000 0.901 42 S HN 0.593 nan 8.310 nan 0.000 0.491 43 R N 4.565 125.194 120.500 0.215 0.000 2.594 43 R HA 0.374 4.714 4.340 0.000 0.000 0.265 43 R C -3.421 172.744 176.300 -0.225 0.000 1.070 43 R CA -1.817 54.293 56.100 0.017 0.000 0.909 43 R CB 1.469 31.808 30.300 0.064 0.000 1.243 43 R HN 0.356 nan 8.270 nan 0.000 0.455 44 P HA 0.040 nan 4.420 nan 0.000 0.267 44 P C -0.599 176.767 177.300 0.111 0.000 1.205 44 P CA -0.214 62.641 63.100 -0.407 0.000 0.765 44 P CB 0.891 32.270 31.700 -0.535 0.000 0.828 45 V N 1.457 121.479 119.914 0.180 0.000 3.001 45 V HA 0.538 4.659 4.120 0.000 0.000 0.314 45 V C -0.254 175.849 176.094 0.015 0.000 1.099 45 V CA -1.236 61.144 62.300 0.132 0.000 0.989 45 V CB 1.972 33.579 31.823 -0.360 0.000 1.040 45 V HN 0.244 nan 8.190 nan 0.000 0.434 46 I N 3.598 124.083 120.570 -0.143 0.000 2.379 46 I HA 0.338 4.508 4.170 0.000 0.000 0.290 46 I C 0.934 177.215 176.117 0.274 0.000 1.063 46 I CA 0.238 61.361 61.300 -0.296 0.000 1.351 46 I CB 1.151 38.961 38.000 -0.318 0.000 1.410 46 I HN 0.978 nan 8.210 nan 0.000 0.505 47 T N 2.555 117.162 114.554 0.088 0.000 2.927 47 T HA 0.344 4.694 4.350 0.000 0.000 0.281 47 T C -0.340 174.173 174.700 -0.311 0.000 0.998 47 T CA -0.800 61.311 62.100 0.018 0.000 1.019 47 T CB 1.816 70.670 68.868 -0.023 0.000 1.061 47 T HN 0.638 nan 8.240 nan 0.000 0.518 48 C N 3.474 122.241 119.300 -0.888 0.000 2.293 48 C HA 0.546 5.006 4.460 0.000 0.000 0.323 48 C C 0.489 175.127 174.990 -0.586 0.000 1.240 48 C CA -0.414 57.871 59.018 -1.222 0.000 1.497 48 C CB -1.693 24.605 27.740 -2.405 0.000 2.171 48 C HN 0.993 nan 8.230 nan 0.000 0.465 49 N N 3.739 122.262 118.700 -0.296 0.000 2.721 49 N HA -0.190 4.550 4.740 0.000 0.000 0.249 49 N C 1.005 176.452 175.510 -0.104 0.000 1.072 49 N CA 2.060 55.035 53.050 -0.125 0.000 0.710 49 N CB -1.341 37.100 38.487 -0.077 0.000 0.993 49 N HN 1.795 nan 8.380 nan 0.000 0.547 50 G N -1.839 106.900 108.800 -0.102 0.000 2.179 50 G HA2 -0.329 3.631 3.960 0.000 0.000 0.260 50 G HA3 -0.329 3.631 3.960 0.000 0.000 0.260 50 G C -0.161 174.708 174.900 -0.051 0.000 0.977 50 G CA 0.671 45.744 45.100 -0.045 0.000 0.641 50 G HN 0.487 nan 8.290 nan 0.000 0.533 51 Q N -0.774 118.946 119.800 -0.134 0.000 2.235 51 Q HA 0.769 5.109 4.340 0.000 0.000 0.256 51 Q C -1.107 174.848 176.000 -0.075 0.000 0.951 51 Q CA -0.654 55.082 55.803 -0.113 0.000 0.890 51 Q CB 2.298 30.928 28.738 -0.181 0.000 1.279 51 Q HN 0.436 nan 8.270 nan 0.000 0.444 52 F N 2.023 121.887 119.950 -0.144 0.000 2.574 52 F HA 0.477 5.004 4.527 -0.000 0.000 0.313 52 F C -2.395 173.362 175.800 -0.072 0.000 1.130 52 F CA -1.760 56.184 58.000 -0.094 0.000 0.936 52 F CB 1.470 40.459 39.000 -0.020 0.000 1.219 52 F HN 0.379 nan 8.300 nan 0.000 0.445 53 P HA 0.239 nan 4.420 nan 0.000 0.277 53 P C -1.254 175.745 177.300 -0.503 0.000 1.271 53 P CA -0.273 62.132 63.100 -1.158 0.000 0.795 53 P CB 0.549 31.733 31.700 -0.861 0.000 1.101 54 W N 1.185 122.161 121.300 -0.541 0.000 2.148 54 W HA 0.184 4.844 4.660 0.000 0.000 0.347 54 W C -1.513 174.811 176.519 -0.324 0.000 1.288 54 W CA -0.677 56.446 57.345 -0.370 0.000 1.252 54 W CB -1.076 28.215 29.460 -0.282 0.000 1.156 54 W HN 0.320 nan 8.180 nan 0.000 0.580 55 P HA 0.065 nan 4.420 nan 0.000 0.274 55 P C -0.774 176.563 177.300 0.063 0.000 1.246 55 P CA -0.036 62.987 63.100 -0.129 0.000 0.795 55 P CB 0.918 32.473 31.700 -0.241 0.000 1.006 56 D N 0.815 121.243 120.400 0.048 0.000 2.192 56 D HA 0.426 5.066 4.640 0.000 0.000 0.246 56 D C 0.181 176.506 176.300 0.042 0.000 1.042 56 D CA -0.199 53.859 54.000 0.097 0.000 0.847 56 D CB 1.550 42.361 40.800 0.019 0.000 1.186 56 D HN 0.247 nan 8.370 nan 0.000 0.461 57 I N 1.075 121.645 120.570 0.001 0.000 2.359 57 I HA 0.193 4.363 4.170 0.000 0.000 0.294 57 I C 0.064 175.969 176.117 -0.353 0.000 0.987 57 I CA -0.202 60.954 61.300 -0.241 0.000 1.225 57 I CB 1.505 39.220 38.000 -0.475 0.000 1.366 57 I HN 0.062 nan 8.210 nan 0.000 0.466 58 T N 6.128 120.511 114.554 -0.286 0.000 2.809 58 T HA 0.568 4.918 4.350 0.000 0.000 0.284 58 T C -0.313 174.181 174.700 -0.344 0.000 0.992 58 T CA -0.559 61.383 62.100 -0.264 0.000 0.957 58 T CB 1.433 70.233 68.868 -0.113 0.000 0.942 58 T HN 0.419 nan 8.240 nan 0.000 0.439 59 V N 1.108 120.800 119.914 -0.371 0.000 3.158 59 V HA 0.755 4.875 4.120 0.000 0.000 0.311 59 V C -0.784 175.241 176.094 -0.114 0.000 1.181 59 V CA -1.278 60.824 62.300 -0.330 0.000 1.054 59 V CB 2.158 33.721 31.823 -0.433 0.000 1.085 59 V HN 0.638 nan 8.190 nan 0.000 0.446 60 N N 0.690 119.369 118.700 -0.035 0.000 2.492 60 N HA 0.367 5.107 4.740 0.000 0.000 0.289 60 N C -0.532 174.986 175.510 0.014 0.000 1.133 60 N CA -0.672 52.382 53.050 0.006 0.000 0.961 60 N CB 1.446 39.949 38.487 0.027 0.000 1.186 60 N HN 0.852 nan 8.380 nan 0.000 0.493 61 K N 0.368 120.782 120.400 0.023 0.000 2.511 61 K HA 0.031 4.351 4.320 0.000 0.000 0.277 61 K C 0.974 177.575 176.600 0.002 0.000 1.025 61 K CA 1.277 57.575 56.287 0.018 0.000 1.112 61 K CB -0.625 31.889 32.500 0.022 0.000 0.859 61 K HN 0.755 nan 8.250 nan 0.000 0.485 62 G N 2.820 111.615 108.800 -0.010 0.000 2.159 62 G HA2 -0.244 3.716 3.960 0.000 0.000 0.256 62 G HA3 -0.244 3.716 3.960 0.000 0.000 0.256 62 G C -0.253 174.644 174.900 -0.005 0.000 0.977 62 G CA 0.174 45.261 45.100 -0.023 0.000 0.652 62 G HN 0.709 nan 8.290 nan 0.000 0.531 63 D N -0.240 120.167 120.400 0.012 0.000 2.357 63 D HA 0.480 5.120 4.640 0.000 0.000 0.242 63 D C 0.872 177.169 176.300 -0.006 0.000 1.153 63 D CA -0.058 53.957 54.000 0.026 0.000 0.918 63 D CB 0.734 41.572 40.800 0.063 0.000 1.181 63 D HN 0.394 nan 8.370 nan 0.000 0.435 64 R N 0.610 121.096 120.500 -0.023 0.000 2.294 64 R HA 0.462 4.802 4.340 0.000 0.000 0.319 64 R C -1.569 174.627 176.300 -0.173 0.000 0.984 64 R CA -0.516 55.516 56.100 -0.114 0.000 0.861 64 R CB 0.762 31.001 30.300 -0.102 0.000 1.104 64 R HN 0.112 nan 8.270 nan 0.000 0.451 65 V N 5.710 125.363 119.914 -0.435 0.000 2.384 65 V HA 0.352 4.472 4.120 0.000 0.000 0.287 65 V C -0.568 175.139 176.094 -0.644 0.000 1.020 65 V CA -0.562 61.424 62.300 -0.523 0.000 0.850 65 V CB 1.553 32.960 31.823 -0.693 0.000 0.987 65 V HN 0.779 nan 8.190 nan 0.000 0.436 66 Q N 5.216 124.795 119.800 -0.368 0.000 2.401 66 Q HA 0.581 4.921 4.340 0.000 0.000 0.260 66 Q C -1.078 174.743 176.000 -0.299 0.000 1.034 66 Q CA -0.207 55.376 55.803 -0.366 0.000 0.737 66 Q CB 2.298 30.819 28.738 -0.363 0.000 1.227 66 Q HN 0.675 nan 8.270 nan 0.000 0.488 67 I N 2.468 122.913 120.570 -0.207 0.000 2.339 67 I HA 0.242 4.412 4.170 0.000 0.000 0.290 67 I C -0.771 175.292 176.117 -0.089 0.000 0.994 67 I CA -0.784 60.430 61.300 -0.143 0.000 1.191 67 I CB 0.778 38.730 38.000 -0.081 0.000 1.343 67 I HN 0.516 nan 8.210 nan 0.000 0.458 68 Y N 6.810 127.115 120.300 0.008 0.000 2.556 68 Y HA 0.300 4.850 4.550 0.000 0.000 0.352 68 Y C 0.158 176.149 175.900 0.151 0.000 1.006 68 Y CA -0.295 57.841 58.100 0.061 0.000 1.277 68 Y CB 0.595 39.066 38.460 0.018 0.000 1.136 68 Y HN 0.402 nan 8.280 nan 0.000 0.523 69 L N 4.127 125.572 121.223 0.370 0.000 2.265 69 L HA 0.389 4.729 4.340 0.000 0.000 0.288 69 L C -0.423 176.637 176.870 0.317 0.000 1.058 69 L CA -0.081 55.007 54.840 0.413 0.000 0.809 69 L CB 0.866 43.230 42.059 0.508 0.000 1.179 69 L HN 0.538 nan 8.230 nan 0.000 0.429 70 T N 2.923 117.654 114.554 0.295 0.000 2.779 70 T HA 0.186 4.536 4.350 0.000 0.000 0.280 70 T C -0.045 174.778 174.700 0.206 0.000 0.987 70 T CA -0.535 61.692 62.100 0.212 0.000 0.966 70 T CB 1.022 69.990 68.868 0.168 0.000 0.933 70 T HN 0.415 nan 8.240 nan 0.000 0.442 71 N N 2.191 120.994 118.700 0.171 0.000 2.399 71 N HA 0.255 4.995 4.740 0.000 0.000 0.259 71 N C 0.972 176.562 175.510 0.134 0.000 1.160 71 N CA -0.324 52.819 53.050 0.156 0.000 0.946 71 N CB 0.586 39.156 38.487 0.138 0.000 1.156 71 N HN 0.836 nan 8.380 nan 0.000 0.489 72 G N 2.979 111.858 108.800 0.132 0.000 3.393 72 G HA2 0.131 4.091 3.960 0.000 0.000 0.255 72 G HA3 0.131 4.091 3.960 0.000 0.000 0.255 72 G C 0.403 175.383 174.900 0.133 0.000 1.097 72 G CA -0.254 44.917 45.100 0.118 0.000 0.780 72 G HN 0.477 nan 8.290 nan 0.000 0.540 73 M N 0.175 119.864 119.600 0.148 0.000 2.274 73 M HA 0.238 4.718 4.480 0.000 0.000 0.344 73 M C 1.138 177.562 176.300 0.207 0.000 1.161 73 M CA -0.362 55.070 55.300 0.220 0.000 1.126 73 M CB 1.361 34.104 32.600 0.239 0.000 1.522 73 M HN -0.054 nan 8.290 nan 0.000 0.461 74 N N 0.994 119.829 118.700 0.226 0.000 2.409 74 N HA -0.090 4.650 4.740 0.000 0.000 0.179 74 N C 0.505 176.090 175.510 0.126 0.000 1.032 74 N CA 1.039 54.181 53.050 0.152 0.000 0.898 74 N CB 0.239 38.805 38.487 0.131 0.000 0.971 74 N HN 0.712 nan 8.380 nan 0.000 0.441 75 N N -3.138 115.649 118.700 0.146 0.000 2.008 75 N HA 0.034 4.774 4.740 0.000 0.000 0.228 75 N C -0.746 174.838 175.510 0.124 0.000 1.375 75 N CA -0.014 53.105 53.050 0.114 0.000 0.856 75 N CB 0.092 38.631 38.487 0.086 0.000 1.096 75 N HN -0.157 nan 8.380 nan 0.000 0.489 76 T N 0.390 115.041 114.554 0.162 0.000 2.943 76 T HA 0.452 4.802 4.350 0.000 0.000 0.284 76 T C -0.040 174.741 174.700 0.136 0.000 1.015 76 T CA -0.679 61.516 62.100 0.157 0.000 1.042 76 T CB 1.359 70.351 68.868 0.207 0.000 1.055 76 T HN -0.041 nan 8.240 nan 0.000 0.500 77 N N 1.075 119.848 118.700 0.122 0.000 2.408 77 N HA 0.535 5.275 4.740 0.000 0.000 0.260 77 N C -0.142 175.435 175.510 0.112 0.000 1.242 77 N CA -0.234 52.881 53.050 0.108 0.000 0.959 77 N CB 0.769 39.314 38.487 0.098 0.000 1.201 77 N HN 0.687 nan 8.380 nan 0.000 0.511 78 T N -1.244 113.374 114.554 0.107 0.000 2.883 78 T HA 0.758 5.108 4.350 0.000 0.000 0.296 78 T C -0.552 174.219 174.700 0.117 0.000 1.117 78 T CA -0.821 61.347 62.100 0.113 0.000 1.006 78 T CB 1.511 70.463 68.868 0.140 0.000 1.191 78 T HN 0.585 nan 8.240 nan 0.000 0.508 79 S N 0.226 115.996 115.700 0.117 0.000 2.611 79 S HA 0.780 5.250 4.470 0.000 0.000 0.268 79 S C -1.364 173.263 174.600 0.046 0.000 1.156 79 S CA -1.036 57.250 58.200 0.142 0.000 0.817 79 S CB 1.772 65.038 63.200 0.111 0.000 1.122 79 S HN 0.897 nan 8.310 nan 0.000 0.466 80 M N 2.245 121.804 119.600 -0.068 0.000 2.271 80 M HA 0.497 4.977 4.480 0.000 0.000 0.285 80 M C -1.959 173.920 176.300 -0.702 0.000 1.059 80 M CA -0.221 54.800 55.300 -0.464 0.000 0.940 80 M CB 1.753 33.970 32.600 -0.638 0.000 1.636 80 M HN 1.074 nan 8.290 nan 0.000 0.460 81 H N 3.720 122.302 119.070 -0.814 0.000 2.469 81 H HA 0.543 5.099 4.556 -0.000 0.000 0.342 81 H C -1.996 172.707 175.328 -1.041 0.000 1.115 81 H CA -0.452 55.144 56.048 -0.754 0.000 1.204 81 H CB 0.977 30.495 29.762 -0.407 0.000 1.492 81 H HN 0.570 nan 8.280 nan 0.000 0.499 82 F N 4.244 123.539 119.950 -1.091 0.000 2.303 82 F HA 0.162 4.689 4.527 -0.000 0.000 0.368 82 F C 0.346 175.446 175.800 -1.166 0.000 1.105 82 F CA -0.721 56.680 58.000 -0.999 0.000 1.153 82 F CB 0.070 38.499 39.000 -0.952 0.000 1.362 82 F HN 0.646 nan 8.300 nan 0.000 0.511 83 H N 2.059 120.512 119.070 -1.028 0.000 3.046 83 H HA 0.391 4.947 4.556 -0.000 0.000 0.303 83 H C 1.179 176.380 175.328 -0.211 0.000 1.002 83 H CA 1.200 56.855 56.048 -0.655 0.000 1.460 83 H CB 0.422 29.747 29.762 -0.728 0.000 1.493 83 H HN 0.880 nan 8.280 nan 0.000 0.559 84 G N 3.646 112.322 108.800 -0.207 0.000 2.254 84 G HA2 -0.276 3.684 3.960 0.000 0.000 0.225 84 G HA3 -0.276 3.684 3.960 0.000 0.000 0.225 84 G C -0.266 174.392 174.900 -0.404 0.000 1.003 84 G CA -0.030 45.072 45.100 0.005 0.000 0.622 84 G HN 0.603 nan 8.290 nan 0.000 0.507 85 L N 1.452 122.324 121.223 -0.584 0.000 2.455 85 L HA 0.524 4.864 4.340 0.000 0.000 0.272 85 L C 1.549 178.115 176.870 -0.506 0.000 1.174 85 L CA 0.146 54.543 54.840 -0.737 0.000 0.869 85 L CB 0.093 41.717 42.059 -0.726 0.000 1.130 85 L HN 0.083 nan 8.230 nan 0.000 0.474 86 F N 0.472 120.252 119.950 -0.284 0.000 2.456 86 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 86 F C 1.265 176.905 175.800 -0.266 0.000 1.104 86 F CA -0.005 57.778 58.000 -0.361 0.000 1.435 86 F CB -0.453 38.358 39.000 -0.314 0.000 1.078 86 F HN 0.518 nan 8.300 nan 0.000 0.546 87 Q N 0.305 120.121 119.800 0.027 0.000 2.457 87 Q HA -0.276 4.064 4.340 0.000 0.000 0.283 87 Q C -0.350 175.779 176.000 0.215 0.000 1.234 87 Q CA 0.425 56.300 55.803 0.119 0.000 0.877 87 Q CB -2.492 26.370 28.738 0.208 0.000 1.250 87 Q HN 0.389 nan 8.270 nan 0.000 0.481 88 N N 0.557 119.339 118.700 0.138 0.000 2.429 88 N HA 0.169 4.909 4.740 0.000 0.000 0.271 88 N C 1.321 176.903 175.510 0.121 0.000 1.272 88 N CA 1.892 54.959 53.050 0.029 0.000 0.921 88 N CB 0.211 38.459 38.487 -0.398 0.000 1.128 88 N HN 0.542 nan 8.380 nan 0.000 0.481 89 G N 2.287 111.157 108.800 0.115 0.000 2.199 89 G HA2 -0.260 3.700 3.960 0.000 0.000 0.254 89 G HA3 -0.260 3.700 3.960 0.000 0.000 0.254 89 G C 0.302 175.263 174.900 0.101 0.000 0.982 89 G CA 0.714 45.878 45.100 0.108 0.000 0.632 89 G HN 0.857 nan 8.290 nan 0.000 0.529 90 T N -3.163 111.463 114.554 0.120 0.000 3.741 90 T HA 0.733 5.083 4.350 0.000 0.000 0.242 90 T C 1.493 176.244 174.700 0.085 0.000 1.042 90 T CA 0.880 63.043 62.100 0.104 0.000 1.278 90 T CB 0.778 69.735 68.868 0.148 0.000 0.994 90 T HN 1.384 nan 8.240 nan 0.000 0.594 91 A N 1.462 124.294 122.820 0.019 0.000 2.024 91 A HA -0.034 4.286 4.320 0.000 0.000 0.220 91 A C 2.499 180.024 177.584 -0.098 0.000 1.164 91 A CA 1.828 53.809 52.037 -0.094 0.000 0.643 91 A CB -1.016 17.772 19.000 -0.354 0.000 0.806 91 A HN 0.705 nan 8.150 nan 0.000 0.451 92 S N -1.195 114.451 115.700 -0.090 0.000 2.493 92 S HA -0.105 4.365 4.470 0.000 0.000 0.243 92 S C 1.500 176.037 174.600 -0.105 0.000 0.991 92 S CA 1.508 59.614 58.200 -0.158 0.000 0.957 92 S CB -0.380 62.727 63.200 -0.156 0.000 0.756 92 S HN 0.450 nan 8.310 nan 0.000 0.521 93 M N 0.452 120.093 119.600 0.069 0.000 2.371 93 M HA 0.239 4.719 4.480 0.000 0.000 0.246 93 M C 1.120 177.561 176.300 0.236 0.000 1.103 93 M CA 0.254 55.696 55.300 0.237 0.000 1.010 93 M CB -0.705 32.048 32.600 0.255 0.000 1.457 93 M HN 0.175 nan 8.290 nan 0.000 0.486 94 D N 1.193 121.696 120.400 0.171 0.000 2.264 94 D HA 0.009 4.649 4.640 0.000 0.000 0.208 94 D C 1.336 177.804 176.300 0.280 0.000 0.966 94 D CA 1.586 55.740 54.000 0.256 0.000 0.864 94 D CB 0.207 41.212 40.800 0.341 0.000 0.933 94 D HN 0.544 nan 8.370 nan 0.000 0.499 95 G N -0.219 108.703 108.800 0.203 0.000 2.182 95 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 95 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 95 G C -0.069 174.811 174.900 -0.034 0.000 1.042 95 G CA 0.322 45.523 45.100 0.169 0.000 0.775 95 G HN 0.297 nan 8.290 nan 0.000 0.501 96 V N 1.870 121.676 119.914 -0.180 0.000 2.328 96 V HA 0.439 4.559 4.120 0.000 0.000 0.278 96 V C -1.464 174.459 176.094 -0.284 0.000 1.021 96 V CA -1.903 60.155 62.300 -0.404 0.000 0.838 96 V CB 1.661 33.080 31.823 -0.675 0.000 0.999 96 V HN 0.224 nan 8.190 nan 0.000 0.447 97 P HA 0.097 nan 4.420 nan 0.000 0.264 97 P C 0.331 177.543 177.300 -0.148 0.000 1.183 97 P CA 0.486 63.449 63.100 -0.228 0.000 0.763 97 P CB 0.132 31.770 31.700 -0.103 0.000 0.807 98 F N -0.599 119.290 119.950 -0.102 0.000 2.871 98 F HA -0.254 4.273 4.527 -0.000 0.000 0.326 98 F C 1.227 176.948 175.800 -0.132 0.000 0.675 98 F CA 0.281 58.233 58.000 -0.080 0.000 1.188 98 F CB -1.467 37.527 39.000 -0.009 0.000 1.567 98 F HN 0.283 nan 8.300 nan 0.000 0.325 99 L N -2.249 118.897 121.223 -0.129 0.000 2.588 99 L HA 0.140 4.480 4.340 0.000 0.000 0.194 99 L C 1.852 178.591 176.870 -0.218 0.000 1.070 99 L CA 1.696 56.405 54.840 -0.218 0.000 0.852 99 L CB -0.426 41.391 42.059 -0.404 0.000 1.199 99 L HN 0.109 nan 8.230 nan 0.000 0.486 100 T N -0.630 113.783 114.554 -0.234 0.000 2.964 100 T HA 0.168 4.518 4.350 0.000 0.000 0.249 100 T C 0.030 174.589 174.700 -0.236 0.000 1.000 100 T CA 0.001 61.965 62.100 -0.226 0.000 0.992 100 T CB 0.996 69.755 68.868 -0.182 0.000 1.087 100 T HN 0.348 nan 8.240 nan 0.000 0.489 101 Q N -0.051 119.604 119.800 -0.242 0.000 2.687 101 Q HA 0.583 4.923 4.340 0.000 0.000 0.295 101 Q C -1.010 174.793 176.000 -0.328 0.000 0.920 101 Q CA -1.273 54.370 55.803 -0.267 0.000 0.766 101 Q CB 0.590 29.183 28.738 -0.240 0.000 1.467 101 Q HN 0.330 nan 8.270 nan 0.000 0.415 102 c N -1.535 116.871 118.600 -0.323 0.000 2.382 102 c HA 0.819 5.389 4.570 0.000 0.000 0.363 102 c C -2.219 171.674 174.090 -0.327 0.000 1.213 102 c CA -1.779 54.262 56.329 -0.479 0.000 2.363 102 c CB -0.039 42.278 42.510 -0.323 0.000 2.397 102 c HN 0.648 nan 8.230 nan 0.000 0.573 103 P HA 0.275 nan 4.420 nan 0.000 0.272 103 P C -0.545 176.733 177.300 -0.037 0.000 1.223 103 P CA 0.002 63.024 63.100 -0.131 0.000 0.784 103 P CB 0.242 31.900 31.700 -0.070 0.000 0.923 104 I N 1.327 121.914 120.570 0.028 0.000 2.363 104 I HA 0.233 4.403 4.170 0.000 0.000 0.292 104 I C 0.949 177.109 176.117 0.072 0.000 1.075 104 I CA -0.363 60.974 61.300 0.063 0.000 1.333 104 I CB 0.095 38.162 38.000 0.112 0.000 1.415 104 I HN 0.311 nan 8.210 nan 0.000 0.502 105 A N 8.793 131.650 122.820 0.062 0.000 2.386 105 A HA 0.453 4.773 4.320 0.000 0.000 0.248 105 A C -2.300 175.333 177.584 0.082 0.000 1.082 105 A CA -1.349 50.730 52.037 0.070 0.000 0.789 105 A CB -0.319 18.715 19.000 0.058 0.000 1.025 105 A HN 0.438 nan 8.150 nan 0.000 0.490 106 P HA 0.173 nan 4.420 nan 0.000 0.260 106 P C 1.069 178.418 177.300 0.082 0.000 1.172 106 P CA 2.151 65.308 63.100 0.095 0.000 0.760 106 P CB 0.448 32.205 31.700 0.096 0.000 0.773 107 G N 1.924 110.775 108.800 0.085 0.000 2.284 107 G HA2 -0.233 3.727 3.960 0.000 0.000 0.230 107 G HA3 -0.233 3.727 3.960 0.000 0.000 0.230 107 G C 0.539 175.480 174.900 0.069 0.000 1.021 107 G CA -0.030 45.114 45.100 0.072 0.000 0.619 107 G HN 0.580 nan 8.290 nan 0.000 0.510 108 S N 0.798 116.542 115.700 0.073 0.000 2.603 108 S HA 0.622 5.092 4.470 0.000 0.000 0.268 108 S C 0.138 174.791 174.600 0.088 0.000 1.317 108 S CA 0.639 58.880 58.200 0.068 0.000 1.012 108 S CB 1.398 64.634 63.200 0.061 0.000 0.926 108 S HN 0.518 nan 8.310 nan 0.000 0.539 109 T N 2.637 117.239 114.554 0.081 0.000 2.840 109 T HA 0.432 4.782 4.350 0.000 0.000 0.287 109 T C -0.503 174.252 174.700 0.091 0.000 0.991 109 T CA -0.412 61.755 62.100 0.113 0.000 0.964 109 T CB 0.965 69.898 68.868 0.109 0.000 0.954 109 T HN 0.560 nan 8.240 nan 0.000 0.438 110 M N 4.349 124.002 119.600 0.089 0.000 2.238 110 M HA 0.645 5.125 4.480 0.000 0.000 0.350 110 M C -1.249 174.998 176.300 -0.087 0.000 1.138 110 M CA -1.056 54.215 55.300 -0.048 0.000 1.040 110 M CB 0.853 33.379 32.600 -0.124 0.000 1.639 110 M HN 0.506 nan 8.290 nan 0.000 0.451 111 L N 6.440 127.526 121.223 -0.229 0.000 2.255 111 L HA 0.423 4.763 4.340 0.000 0.000 0.289 111 L C -1.926 174.756 176.870 -0.313 0.000 1.046 111 L CA 0.098 54.760 54.840 -0.298 0.000 0.816 111 L CB 0.265 42.120 42.059 -0.339 0.000 1.197 111 L HN 0.632 nan 8.230 nan 0.000 0.427 112 Y N 4.635 124.939 120.300 0.007 0.000 2.425 112 Y HA 0.399 4.949 4.550 0.000 0.000 0.347 112 Y C 0.447 176.358 175.900 0.019 0.000 0.976 112 Y CA -0.177 58.040 58.100 0.195 0.000 1.190 112 Y CB 0.664 39.393 38.460 0.447 0.000 1.136 112 Y HN 0.597 nan 8.280 nan 0.000 0.517 113 N N 5.836 124.645 118.700 0.183 0.000 2.573 113 N HA 0.322 5.062 4.740 0.000 0.000 0.262 113 N C -1.761 173.801 175.510 0.086 0.000 1.029 113 N CA -0.495 52.525 53.050 -0.051 0.000 0.882 113 N CB 0.466 38.900 38.487 -0.088 0.000 1.204 113 N HN 0.497 nan 8.380 nan 0.000 0.519 114 F N -0.809 119.101 119.950 -0.066 0.000 2.668 114 F HA 0.634 5.161 4.527 0.000 0.000 0.309 114 F C -0.400 175.365 175.800 -0.058 0.000 1.117 114 F CA -0.871 57.095 58.000 -0.056 0.000 0.951 114 F CB 0.766 39.710 39.000 -0.094 0.000 1.323 114 F HN -0.075 nan 8.300 nan 0.000 0.451 115 T N 0.650 115.303 114.554 0.166 0.000 2.936 115 T HA 0.622 4.972 4.350 0.000 0.000 0.282 115 T C -0.653 174.150 174.700 0.172 0.000 1.003 115 T CA -0.712 61.441 62.100 0.090 0.000 1.005 115 T CB 1.949 70.855 68.868 0.063 0.000 1.097 115 T HN 0.565 nan 8.240 nan 0.000 0.532 116 V N 2.049 122.017 119.914 0.090 0.000 2.361 116 V HA 0.218 4.338 4.120 0.000 0.000 0.252 116 V C 0.159 176.250 176.094 -0.005 0.000 0.986 116 V CA -0.408 61.933 62.300 0.069 0.000 1.033 116 V CB 0.461 32.337 31.823 0.088 0.000 1.282 116 V HN 0.867 nan 8.190 nan 0.000 0.514 117 D N 0.836 121.197 120.400 -0.065 0.000 2.305 117 D HA 0.008 4.648 4.640 0.000 0.000 0.206 117 D C 0.859 176.890 176.300 -0.448 0.000 0.974 117 D CA 1.202 54.996 54.000 -0.343 0.000 0.871 117 D CB 0.590 40.999 40.800 -0.651 0.000 0.947 117 D HN 0.652 nan 8.370 nan 0.000 0.516 118 Y N 0.034 120.396 120.300 0.104 0.000 2.527 118 Y HA 0.276 4.826 4.550 -0.000 0.000 0.247 118 Y C 0.027 176.042 175.900 0.192 0.000 1.138 118 Y CA -0.528 57.692 58.100 0.200 0.000 1.228 118 Y CB 0.410 39.067 38.460 0.328 0.000 1.252 118 Y HN -0.252 nan 8.280 nan 0.000 0.531 119 N N -0.269 118.490 118.700 0.099 0.000 2.269 119 N HA 0.671 5.411 4.740 0.000 0.000 0.304 119 N C -1.587 173.969 175.510 0.077 0.000 1.072 119 N CA -0.539 52.485 53.050 -0.042 0.000 0.802 119 N CB 2.753 40.917 38.487 -0.539 0.000 1.348 119 N HN -0.249 nan 8.380 nan 0.000 0.484 120 V N 0.674 120.731 119.914 0.238 0.000 2.925 120 V HA 0.923 5.043 4.120 0.000 0.000 0.311 120 V C 0.563 176.877 176.094 0.367 0.000 1.104 120 V CA 0.023 62.479 62.300 0.259 0.000 0.954 120 V CB 1.350 33.283 31.823 0.184 0.000 1.022 120 V HN 0.961 nan 8.190 nan 0.000 0.427 121 G N 3.525 112.490 108.800 0.274 0.000 2.443 121 G HA2 -0.081 3.879 3.960 0.000 0.000 0.209 121 G HA3 -0.081 3.879 3.960 0.000 0.000 0.209 121 G C -0.247 174.687 174.900 0.057 0.000 1.176 121 G CA -0.143 45.014 45.100 0.096 0.000 1.074 121 G HN 0.838 nan 8.290 nan 0.000 0.577 122 T N 1.455 115.866 114.554 -0.238 0.000 2.749 122 T HA 0.699 5.049 4.350 0.000 0.000 0.287 122 T C -0.899 173.547 174.700 -0.423 0.000 0.970 122 T CA 0.268 62.246 62.100 -0.202 0.000 0.980 122 T CB 0.818 69.561 68.868 -0.208 0.000 0.924 122 T HN 0.515 nan 8.240 nan 0.000 0.456 123 Y N 1.096 121.475 120.300 0.131 0.000 2.705 123 Y HA 0.786 5.336 4.550 0.000 0.000 0.332 123 Y C -0.641 175.469 175.900 0.349 0.000 1.157 123 Y CA -1.286 56.939 58.100 0.209 0.000 1.091 123 Y CB 1.522 40.061 38.460 0.132 0.000 1.301 123 Y HN 0.704 nan 8.280 nan 0.000 0.488 124 W N 0.604 122.008 121.300 0.173 0.000 3.074 124 W HA 0.613 5.273 4.660 0.000 0.000 0.332 124 W C -2.362 174.212 176.519 0.091 0.000 1.253 124 W CA -1.987 55.408 57.345 0.085 0.000 1.180 124 W CB 0.275 29.641 29.460 -0.157 0.000 1.445 124 W HN 0.607 nan 8.180 nan 0.000 0.573 125 Y N 0.547 120.786 120.300 -0.101 0.000 2.524 125 Y HA 0.797 5.347 4.550 0.000 0.000 0.344 125 Y C -0.758 174.805 175.900 -0.561 0.000 1.012 125 Y CA -1.193 56.586 58.100 -0.536 0.000 1.068 125 Y CB 1.696 39.915 38.460 -0.401 0.000 1.249 125 Y HN 0.691 nan 8.280 nan 0.000 0.468 126 H N -1.131 117.505 119.070 -0.724 0.000 3.042 126 H HA 0.519 5.075 4.556 0.000 0.000 0.346 126 H C -1.149 173.954 175.328 -0.375 0.000 1.294 126 H CA -1.150 54.500 56.048 -0.663 0.000 1.141 126 H CB 1.090 30.214 29.762 -1.063 0.000 1.872 126 H HN 0.772 nan 8.280 nan 0.000 0.541 127 S N -0.108 115.518 115.700 -0.124 0.000 2.560 127 S HA -0.028 4.442 4.470 0.000 0.000 0.284 127 S C 0.133 174.826 174.600 0.156 0.000 1.327 127 S CA -0.242 57.942 58.200 -0.025 0.000 1.055 127 S CB 0.012 63.209 63.200 -0.004 0.000 0.868 127 S HN 0.830 nan 8.310 nan 0.000 0.506 128 H N 3.026 122.119 119.070 0.038 0.000 2.581 128 H HA 0.263 4.819 4.556 -0.000 0.000 0.275 128 H C 0.690 176.051 175.328 0.055 0.000 1.126 128 H CA 0.019 56.119 56.048 0.087 0.000 1.097 128 H CB -0.076 29.691 29.762 0.009 0.000 1.626 128 H HN 0.602 nan 8.280 nan 0.000 0.565 129 T N -0.118 114.518 114.554 0.137 0.000 4.326 129 T HA -0.019 4.331 4.350 0.000 0.000 0.368 129 T C 1.259 175.992 174.700 0.054 0.000 1.189 129 T CA -0.305 61.858 62.100 0.106 0.000 0.907 129 T CB 0.516 69.440 68.868 0.093 0.000 1.887 129 T HN 0.248 nan 8.240 nan 0.000 0.509 130 D N 0.963 121.385 120.400 0.038 0.000 1.971 130 D HA -0.013 4.627 4.640 0.000 0.000 0.253 130 D C 1.843 178.063 176.300 -0.133 0.000 1.019 130 D CA 1.281 55.278 54.000 -0.005 0.000 0.947 130 D CB -0.704 40.111 40.800 0.026 0.000 1.256 130 D HN 0.639 nan 8.370 nan 0.000 0.493 131 G N -0.644 108.046 108.800 -0.184 0.000 3.192 131 G HA2 -0.018 3.942 3.960 0.000 0.000 0.239 131 G HA3 -0.018 3.942 3.960 0.000 0.000 0.239 131 G C 1.221 175.939 174.900 -0.303 0.000 1.084 131 G CA -0.094 44.770 45.100 -0.394 0.000 0.784 131 G HN 0.183 nan 8.290 nan 0.000 0.540 132 Q N 0.001 119.731 119.800 -0.117 0.000 2.188 132 Q HA -0.355 3.985 4.340 0.000 0.000 0.217 132 Q C 2.117 178.098 176.000 -0.032 0.000 1.018 132 Q CA 2.668 58.455 55.803 -0.027 0.000 0.910 132 Q CB -0.354 28.395 28.738 0.019 0.000 0.979 132 Q HN 0.787 nan 8.270 nan 0.000 0.413 133 Y N -0.282 119.964 120.300 -0.090 0.000 2.293 133 Y HA -0.078 4.472 4.550 -0.000 0.000 0.291 133 Y C 1.718 177.609 175.900 -0.016 0.000 1.137 133 Y CA 1.290 59.345 58.100 -0.076 0.000 1.202 133 Y CB -0.486 37.945 38.460 -0.048 0.000 0.990 133 Y HN 0.034 nan 8.280 nan 0.000 0.537 134 E N 0.723 120.704 120.200 -0.366 0.000 2.160 134 E HA -0.190 4.160 4.350 0.000 0.000 0.195 134 E C 0.858 177.475 176.600 0.028 0.000 0.991 134 E CA 1.420 57.709 56.400 -0.185 0.000 0.810 134 E CB -0.325 29.154 29.700 -0.369 0.000 0.742 134 E HN 0.642 nan 8.360 nan 0.000 0.466 135 D N -0.900 119.513 120.400 0.023 0.000 2.323 135 D HA 0.063 4.703 4.640 0.000 0.000 0.239 135 D C 1.119 177.580 176.300 0.269 0.000 1.129 135 D CA 0.787 54.867 54.000 0.135 0.000 0.865 135 D CB 0.478 41.410 40.800 0.219 0.000 0.913 135 D HN 0.355 nan 8.370 nan 0.000 0.517 136 G N 0.804 109.812 108.800 0.346 0.000 2.255 136 G HA2 -0.254 3.706 3.960 0.000 0.000 0.196 136 G HA3 -0.254 3.706 3.960 0.000 0.000 0.196 136 G C 0.494 175.516 174.900 0.203 0.000 0.998 136 G CA -0.051 45.370 45.100 0.536 0.000 0.656 136 G HN 0.331 nan 8.290 nan 0.000 0.490 137 M N 2.221 121.761 119.600 -0.100 0.000 3.237 137 M HA 0.453 4.933 4.480 0.000 0.000 0.266 137 M C 0.177 176.086 176.300 -0.652 0.000 1.456 137 M CA 0.229 55.089 55.300 -0.733 0.000 1.593 137 M CB -0.490 31.802 32.600 -0.513 0.000 1.129 137 M HN 0.349 nan 8.290 nan 0.000 0.547 138 K N 1.940 121.918 120.400 -0.704 0.000 2.578 138 K HA 0.853 5.173 4.320 0.000 0.000 0.269 138 K C -1.252 174.976 176.600 -0.621 0.000 0.941 138 K CA -1.153 54.797 56.287 -0.561 0.000 0.847 138 K CB 1.394 33.838 32.500 -0.093 0.000 1.397 138 K HN 0.414 nan 8.250 nan 0.000 0.422 139 G N 1.353 109.601 108.800 -0.920 0.000 2.576 139 G HA2 0.453 4.413 3.960 0.000 0.000 0.290 139 G HA3 0.453 4.413 3.960 0.000 0.000 0.290 139 G C -1.495 173.269 174.900 -0.226 0.000 1.442 139 G CA -1.203 43.564 45.100 -0.554 0.000 0.792 139 G HN 0.400 nan 8.290 nan 0.000 0.491 140 L N -0.002 121.255 121.223 0.056 0.000 2.375 140 L HA 0.600 4.940 4.340 0.000 0.000 0.271 140 L C -0.818 176.283 176.870 0.385 0.000 1.107 140 L CA -0.599 54.352 54.840 0.186 0.000 0.806 140 L CB 1.342 43.425 42.059 0.041 0.000 1.146 140 L HN 0.435 nan 8.230 nan 0.000 0.447 141 F N 3.573 123.681 119.950 0.263 0.000 2.577 141 F HA 0.541 5.068 4.527 -0.000 0.000 0.344 141 F C -0.563 175.356 175.800 0.197 0.000 1.145 141 F CA -0.401 57.750 58.000 0.252 0.000 0.996 141 F CB 0.914 40.103 39.000 0.316 0.000 1.248 141 F HN 0.168 nan 8.300 nan 0.000 0.447 142 I N 7.099 127.689 120.570 0.034 0.000 2.378 142 I HA 0.415 4.585 4.170 0.000 0.000 0.291 142 I C -0.740 175.384 176.117 0.011 0.000 0.992 142 I CA -0.620 60.724 61.300 0.073 0.000 1.154 142 I CB 1.721 39.710 38.000 -0.019 0.000 1.315 142 I HN 0.373 nan 8.210 nan 0.000 0.448 143 I N 6.477 127.139 120.570 0.154 0.000 2.362 143 I HA 0.340 4.510 4.170 0.000 0.000 0.289 143 I C -0.239 175.918 176.117 0.068 0.000 0.994 143 I CA -0.628 60.733 61.300 0.101 0.000 1.158 143 I CB 1.198 39.302 38.000 0.173 0.000 1.315 143 I HN 0.421 nan 8.210 nan 0.000 0.451 144 K N 5.357 125.769 120.400 0.021 0.000 2.118 144 K HA 0.364 4.684 4.320 0.000 0.000 0.267 144 K C -0.689 175.937 176.600 0.044 0.000 0.991 144 K CA -0.591 55.704 56.287 0.014 0.000 0.916 144 K CB 0.923 33.424 32.500 0.001 0.000 1.041 144 K HN 0.643 nan 8.250 nan 0.000 0.455 145 D N 0.903 121.342 120.400 0.064 0.000 2.619 145 D HA 0.123 4.763 4.640 0.000 0.000 0.241 145 D C -0.509 175.846 176.300 0.091 0.000 1.087 145 D CA -0.493 53.556 54.000 0.082 0.000 0.851 145 D CB 1.856 42.718 40.800 0.104 0.000 1.474 145 D HN 0.309 nan 8.370 nan 0.000 0.478 146 D N 0.366 120.806 120.400 0.066 0.000 2.348 146 D HA -0.079 4.561 4.640 0.000 0.000 0.216 146 D C 1.148 177.486 176.300 0.063 0.000 0.970 146 D CA 0.913 54.947 54.000 0.057 0.000 0.889 146 D CB 0.189 41.009 40.800 0.033 0.000 0.912 146 D HN 0.424 nan 8.370 nan 0.000 0.524 147 S N -0.373 115.368 115.700 0.069 0.000 2.506 147 S HA 0.167 4.637 4.470 0.000 0.000 0.245 147 S C 0.097 174.700 174.600 0.005 0.000 1.088 147 S CA -0.858 57.361 58.200 0.033 0.000 1.099 147 S CB -0.782 62.433 63.200 0.025 0.000 0.805 147 S HN 0.041 nan 8.310 nan 0.000 0.461 148 F N 4.416 124.313 119.950 -0.088 0.000 2.506 148 F HA 0.341 4.868 4.527 0.000 0.000 0.371 148 F C -1.063 174.581 175.800 -0.259 0.000 1.078 148 F CA -1.990 55.923 58.000 -0.145 0.000 1.195 148 F CB 0.905 39.904 39.000 -0.002 0.000 1.099 148 F HN 0.125 nan 8.300 nan 0.000 0.548 149 P HA -0.137 nan 4.420 nan 0.000 0.223 149 P C -0.713 176.115 177.300 -0.786 0.000 1.151 149 P CA 1.302 63.775 63.100 -1.045 0.000 0.787 149 P CB -0.026 30.596 31.700 -1.796 0.000 0.788 150 Y N -0.278 119.805 120.300 -0.361 0.000 2.457 150 Y HA 0.408 4.958 4.550 0.000 0.000 0.333 150 Y C 0.803 176.849 175.900 0.243 0.000 1.119 150 Y CA -1.359 56.726 58.100 -0.024 0.000 1.143 150 Y CB 0.744 39.199 38.460 -0.008 0.000 1.230 150 Y HN -0.282 nan 8.280 nan 0.000 0.469 151 D N 1.267 121.862 120.400 0.325 0.000 2.225 151 D HA 0.270 4.910 4.640 0.000 0.000 0.249 151 D C -1.106 175.368 176.300 0.290 0.000 1.052 151 D CA 0.151 54.262 54.000 0.186 0.000 0.909 151 D CB 1.105 41.952 40.800 0.078 0.000 1.186 151 D HN 0.530 nan 8.370 nan 0.000 0.431 152 Y N -1.470 118.902 120.300 0.120 0.000 2.581 152 Y HA 0.373 4.923 4.550 -0.000 0.000 0.337 152 Y C -0.013 175.894 175.900 0.011 0.000 1.108 152 Y CA -0.874 57.272 58.100 0.076 0.000 1.033 152 Y CB 1.021 39.536 38.460 0.092 0.000 1.318 152 Y HN 0.079 nan 8.280 nan 0.000 0.459 153 D N 0.529 120.986 120.400 0.094 0.000 2.262 153 D HA 0.050 4.690 4.640 0.000 0.000 0.212 153 D C -0.203 176.095 176.300 -0.002 0.000 0.964 153 D CA 1.095 55.073 54.000 -0.036 0.000 0.875 153 D CB 0.711 41.451 40.800 -0.099 0.000 0.996 153 D HN 0.623 nan 8.370 nan 0.000 0.497 154 E N 0.508 120.728 120.200 0.033 0.000 2.408 154 E HA 0.346 4.696 4.350 0.000 0.000 0.275 154 E C -0.658 176.049 176.600 0.178 0.000 0.935 154 E CA -0.501 55.921 56.400 0.037 0.000 0.775 154 E CB 2.755 32.307 29.700 -0.246 0.000 1.277 154 E HN 0.147 nan 8.360 nan 0.000 0.455 155 E N 1.284 121.580 120.200 0.158 0.000 2.356 155 E HA 0.729 5.079 4.350 0.000 0.000 0.275 155 E C -0.763 175.862 176.600 0.042 0.000 0.904 155 E CA -0.884 55.533 56.400 0.029 0.000 0.757 155 E CB 2.116 31.746 29.700 -0.117 0.000 1.232 155 E HN 0.457 nan 8.360 nan 0.000 0.442 156 L N -1.478 119.714 121.223 -0.051 0.000 2.801 156 L HA 0.798 5.138 4.340 0.000 0.000 0.264 156 L C -1.345 175.387 176.870 -0.231 0.000 1.086 156 L CA -0.840 53.920 54.840 -0.132 0.000 0.920 156 L CB 2.036 43.993 42.059 -0.170 0.000 1.529 156 L HN 0.552 nan 8.230 nan 0.000 0.399 157 S N 0.354 115.895 115.700 -0.264 0.000 2.599 157 S HA 0.835 5.305 4.470 0.000 0.000 0.294 157 S C -0.985 173.396 174.600 -0.364 0.000 1.094 157 S CA -0.689 57.331 58.200 -0.298 0.000 0.931 157 S CB 1.910 64.969 63.200 -0.235 0.000 1.093 157 S HN 0.554 nan 8.310 nan 0.000 0.488 158 L N 1.591 122.573 121.223 -0.400 0.000 2.381 158 L HA 0.492 4.832 4.340 0.000 0.000 0.274 158 L C -0.588 176.040 176.870 -0.402 0.000 0.988 158 L CA -0.495 54.099 54.840 -0.410 0.000 0.824 158 L CB 2.150 43.922 42.059 -0.478 0.000 1.263 158 L HN 0.549 nan 8.230 nan 0.000 0.410 159 S N 4.569 120.061 115.700 -0.346 0.000 2.466 159 S HA 0.484 4.954 4.470 0.000 0.000 0.313 159 S C -0.049 174.349 174.600 -0.337 0.000 1.078 159 S CA -0.569 57.420 58.200 -0.352 0.000 1.115 159 S CB 0.056 63.077 63.200 -0.298 0.000 1.006 159 S HN 0.327 nan 8.310 nan 0.000 0.487 160 L N 2.725 123.714 121.223 -0.389 0.000 2.397 160 L HA 0.620 4.960 4.340 0.000 0.000 0.271 160 L C 0.627 177.310 176.870 -0.311 0.000 1.148 160 L CA -0.170 54.463 54.840 -0.345 0.000 0.825 160 L CB 0.943 42.767 42.059 -0.392 0.000 1.117 160 L HN 0.574 nan 8.230 nan 0.000 0.456 161 S N 0.763 116.319 115.700 -0.239 0.000 2.615 161 S HA 0.364 4.834 4.470 0.000 0.000 0.268 161 S C -1.558 172.963 174.600 -0.133 0.000 1.146 161 S CA -0.878 57.224 58.200 -0.162 0.000 0.818 161 S CB 1.681 64.848 63.200 -0.055 0.000 1.111 161 S HN 0.696 nan 8.310 nan 0.000 0.465 162 E N 1.705 121.863 120.200 -0.070 0.000 2.232 162 E HA 0.361 4.711 4.350 0.000 0.000 0.265 162 E C -1.263 175.452 176.600 0.191 0.000 1.001 162 E CA -0.748 55.624 56.400 -0.047 0.000 0.870 162 E CB 1.191 30.814 29.700 -0.130 0.000 1.175 162 E HN 0.727 nan 8.360 nan 0.000 0.407 163 W N 2.336 123.583 121.300 -0.089 0.000 2.839 163 W HA 0.388 5.048 4.660 -0.000 0.000 0.334 163 W C -1.712 174.786 176.519 -0.035 0.000 1.064 163 W CA -0.791 56.564 57.345 0.016 0.000 1.236 163 W CB 1.446 30.951 29.460 0.076 0.000 1.405 163 W HN 0.511 nan 8.180 nan 0.000 0.478 164 Y N 3.059 123.050 120.300 -0.515 0.000 2.376 164 Y HA 0.201 4.751 4.550 0.000 0.000 0.325 164 Y C 1.510 177.169 175.900 -0.401 0.000 1.199 164 Y CA -0.063 57.825 58.100 -0.354 0.000 1.206 164 Y CB 1.462 39.771 38.460 -0.252 0.000 1.229 164 Y HN 0.441 nan 8.280 nan 0.000 0.480 165 H N -0.356 118.661 119.070 -0.088 0.000 2.562 165 H HA 0.098 4.654 4.556 0.000 0.000 0.267 165 H C -0.731 174.563 175.328 -0.056 0.000 0.959 165 H CA 0.045 56.063 56.048 -0.050 0.000 1.204 165 H CB 0.595 30.379 29.762 0.036 0.000 1.430 165 H HN 0.691 nan 8.280 nan 0.000 0.545 166 D N 0.445 120.884 120.400 0.064 0.000 2.252 166 D HA 0.232 4.872 4.640 0.000 0.000 0.245 166 D C -0.707 175.534 176.300 -0.097 0.000 1.009 166 D CA -0.678 53.308 54.000 -0.023 0.000 0.870 166 D CB 1.994 42.782 40.800 -0.019 0.000 1.251 166 D HN -0.088 nan 8.370 nan 0.000 0.460 167 L N 1.375 122.527 121.223 -0.117 0.000 2.483 167 L HA 0.014 4.354 4.340 0.000 0.000 0.275 167 L C 1.490 178.297 176.870 -0.105 0.000 1.220 167 L CA 0.215 54.983 54.840 -0.121 0.000 0.833 167 L CB 0.465 42.424 42.059 -0.167 0.000 1.102 167 L HN 0.392 nan 8.230 nan 0.000 0.490 168 V N 1.216 121.073 119.914 -0.095 0.000 2.282 168 V HA -0.317 3.803 4.120 0.000 0.000 0.249 168 V C 2.139 178.230 176.094 -0.004 0.000 1.057 168 V CA 2.410 64.667 62.300 -0.072 0.000 1.032 168 V CB -0.830 30.894 31.823 -0.164 0.000 0.645 168 V HN 1.059 nan 8.190 nan 0.000 0.447 169 T N -0.340 114.206 114.554 -0.012 0.000 2.685 169 T HA -0.252 4.098 4.350 0.000 0.000 0.268 169 T C 1.643 176.339 174.700 -0.007 0.000 1.034 169 T CA 1.931 64.032 62.100 0.001 0.000 1.149 169 T CB -0.413 68.444 68.868 -0.018 0.000 0.860 169 T HN 0.538 nan 8.240 nan 0.000 0.449 170 D N 0.878 121.253 120.400 -0.041 0.000 2.097 170 D HA 0.013 4.653 4.640 0.000 0.000 0.197 170 D C 2.241 178.519 176.300 -0.036 0.000 0.984 170 D CA 0.775 54.749 54.000 -0.044 0.000 0.826 170 D CB -0.340 40.421 40.800 -0.065 0.000 0.973 170 D HN 0.333 nan 8.370 nan 0.000 0.460 171 L N 0.847 122.040 121.223 -0.051 0.000 2.046 171 L HA -0.146 4.194 4.340 0.000 0.000 0.208 171 L C 2.535 179.392 176.870 -0.022 0.000 1.077 171 L CA 1.129 55.909 54.840 -0.101 0.000 0.747 171 L CB -0.843 41.078 42.059 -0.230 0.000 0.896 171 L HN -0.001 nan 8.230 nan 0.000 0.432 172 T N -0.555 114.056 114.554 0.095 0.000 2.737 172 T HA -0.237 4.113 4.350 0.000 0.000 0.269 172 T C 1.914 176.691 174.700 0.127 0.000 1.040 172 T CA 1.391 63.617 62.100 0.209 0.000 1.142 172 T CB -0.148 68.841 68.868 0.202 0.000 0.861 172 T HN 0.240 nan 8.240 nan 0.000 0.456 173 K N 1.168 121.602 120.400 0.057 0.000 2.103 173 K HA -0.075 4.245 4.320 0.000 0.000 0.207 173 K C 2.612 179.220 176.600 0.014 0.000 1.048 173 K CA 1.623 57.926 56.287 0.027 0.000 0.930 173 K CB -0.065 32.440 32.500 0.007 0.000 0.716 173 K HN 0.464 nan 8.250 nan 0.000 0.444 174 S N -0.719 114.984 115.700 0.006 0.000 2.503 174 S HA 0.013 4.483 4.470 0.000 0.000 0.215 174 S C 1.683 176.282 174.600 -0.001 0.000 1.003 174 S CA -0.311 57.883 58.200 -0.009 0.000 0.910 174 S CB -0.190 62.987 63.200 -0.039 0.000 0.790 174 S HN 0.299 nan 8.310 nan 0.000 0.514 175 F N 2.048 121.909 119.950 -0.149 0.000 2.149 175 F HA 0.459 4.986 4.527 -0.000 0.000 0.294 175 F C 1.055 176.780 175.800 -0.125 0.000 1.095 175 F CA 0.501 58.385 58.000 -0.194 0.000 1.276 175 F CB -0.101 38.717 39.000 -0.304 0.000 1.023 175 F HN 0.193 nan 8.300 nan 0.000 0.480 176 M N 1.606 120.992 119.600 -0.357 0.000 3.117 176 M HA 0.251 4.731 4.480 0.000 0.000 0.292 176 M C -0.654 175.501 176.300 -0.241 0.000 1.357 176 M CA 0.025 55.051 55.300 -0.456 0.000 1.463 176 M CB -0.004 32.449 32.600 -0.245 0.000 1.105 176 M HN 0.123 nan 8.290 nan 0.000 0.553 177 S N 0.655 116.216 115.700 -0.232 0.000 2.556 177 S HA 0.486 4.956 4.470 0.000 0.000 0.271 177 S C 0.744 175.286 174.600 -0.097 0.000 1.135 177 S CA -0.677 57.468 58.200 -0.092 0.000 0.858 177 S CB 1.169 64.370 63.200 0.001 0.000 1.114 177 S HN 0.502 nan 8.310 nan 0.000 0.468 178 V N 1.824 121.694 119.914 -0.074 0.000 2.970 178 V HA 0.140 4.260 4.120 0.000 0.000 0.260 178 V C 1.154 177.132 176.094 -0.192 0.000 1.100 178 V CA 1.206 63.419 62.300 -0.144 0.000 1.122 178 V CB -1.397 30.316 31.823 -0.183 0.000 0.721 178 V HN 0.860 nan 8.190 nan 0.000 0.483 179 Y N 1.154 121.417 120.300 -0.061 0.000 2.471 179 Y HA 0.336 4.886 4.550 -0.000 0.000 0.286 179 Y C 1.285 177.148 175.900 -0.061 0.000 1.188 179 Y CA 0.439 58.509 58.100 -0.050 0.000 1.286 179 Y CB 0.111 38.545 38.460 -0.043 0.000 1.072 179 Y HN 0.429 nan 8.280 nan 0.000 0.517 180 N N -0.091 118.618 118.700 0.015 0.000 2.733 180 N HA 0.199 4.939 4.740 0.000 0.000 0.271 180 N C -2.558 172.904 175.510 -0.079 0.000 1.720 180 N CA -2.035 50.994 53.050 -0.036 0.000 0.803 180 N CB 0.746 39.184 38.487 -0.081 0.000 1.208 180 N HN -0.127 nan 8.380 nan 0.000 0.498 181 P HA 0.068 nan 4.420 nan 0.000 0.231 181 P C 0.849 178.132 177.300 -0.028 0.000 1.168 181 P CA 0.806 63.879 63.100 -0.044 0.000 0.779 181 P CB 0.324 32.009 31.700 -0.024 0.000 0.844 182 T N -1.301 113.244 114.554 -0.015 0.000 2.995 182 T HA 0.119 4.469 4.350 0.000 0.000 0.269 182 T C 1.585 176.296 174.700 0.017 0.000 1.091 182 T CA 1.204 63.310 62.100 0.011 0.000 1.128 182 T CB -0.947 67.936 68.868 0.024 0.000 0.891 182 T HN 0.287 nan 8.240 nan 0.000 0.492 183 G N 1.678 110.460 108.800 -0.030 0.000 2.153 183 G HA2 -0.136 3.824 3.960 0.000 0.000 0.252 183 G HA3 -0.136 3.824 3.960 0.000 0.000 0.252 183 G C 0.258 175.228 174.900 0.117 0.000 0.994 183 G CA -0.069 45.013 45.100 -0.031 0.000 0.698 183 G HN 0.958 nan 8.290 nan 0.000 0.521 184 A N 0.693 123.560 122.820 0.079 0.000 2.561 184 A HA 0.452 4.772 4.320 0.000 0.000 0.251 184 A C 0.936 178.571 177.584 0.085 0.000 1.062 184 A CA 0.788 52.876 52.037 0.084 0.000 0.761 184 A CB 0.168 19.189 19.000 0.034 0.000 0.986 184 A HN 0.824 nan 8.150 nan 0.000 0.510 185 E N 4.351 124.525 120.200 -0.043 0.000 2.338 185 E HA 0.305 4.655 4.350 0.000 0.000 0.272 185 E C -2.528 173.703 176.600 -0.616 0.000 1.029 185 E CA -1.947 54.126 56.400 -0.546 0.000 0.872 185 E CB 0.136 29.336 29.700 -0.833 0.000 1.015 185 E HN 0.467 nan 8.360 nan 0.000 0.417 186 P HA 0.074 nan 4.420 nan 0.000 0.268 186 P C -0.317 176.889 177.300 -0.156 0.000 1.204 186 P CA 0.165 62.947 63.100 -0.530 0.000 0.768 186 P CB 0.441 31.672 31.700 -0.782 0.000 0.842 187 I N 5.587 126.157 120.570 0.000 0.000 2.371 187 I HA 0.220 4.390 4.170 0.000 0.000 0.290 187 I C -1.542 174.569 176.117 -0.010 0.000 1.028 187 I CA -2.236 59.095 61.300 0.052 0.000 1.345 187 I CB 0.627 38.610 38.000 -0.028 0.000 1.407 187 I HN 0.244 nan 8.210 nan 0.000 0.501 188 P HA 0.126 nan 4.420 nan 0.000 0.274 188 P C -0.467 176.684 177.300 -0.248 0.000 1.256 188 P CA -0.253 62.456 63.100 -0.651 0.000 0.795 188 P CB 1.003 32.342 31.700 -0.602 0.000 1.038 189 Q N -0.544 119.110 119.800 -0.242 0.000 2.373 189 Q HA 0.231 4.571 4.340 0.000 0.000 0.210 189 Q C 0.023 176.013 176.000 -0.017 0.000 0.913 189 Q CA 1.027 56.701 55.803 -0.215 0.000 0.911 189 Q CB 0.245 28.615 28.738 -0.613 0.000 1.040 189 Q HN 0.435 nan 8.270 nan 0.000 0.521 190 N N -1.162 117.609 118.700 0.119 0.000 2.859 190 N HA 0.301 5.041 4.740 0.000 0.000 0.250 190 N C -1.596 173.996 175.510 0.136 0.000 1.341 190 N CA -0.456 52.709 53.050 0.192 0.000 0.881 190 N CB 1.290 39.883 38.487 0.176 0.000 1.516 190 N HN -0.045 nan 8.380 nan 0.000 0.503 191 L N 1.791 123.028 121.223 0.023 0.000 2.350 191 L HA 0.597 4.937 4.340 0.000 0.000 0.275 191 L C 0.365 177.183 176.870 -0.088 0.000 1.099 191 L CA -0.630 54.115 54.840 -0.158 0.000 0.808 191 L CB 0.538 42.416 42.059 -0.301 0.000 1.149 191 L HN 0.504 nan 8.230 nan 0.000 0.442 192 I N 0.308 120.812 120.570 -0.110 0.000 2.828 192 I HA 0.792 4.962 4.170 0.000 0.000 0.302 192 I C -0.784 175.232 176.117 -0.168 0.000 1.101 192 I CA -1.046 60.179 61.300 -0.126 0.000 1.031 192 I CB 2.239 40.160 38.000 -0.131 0.000 1.231 192 I HN 0.253 nan 8.210 nan 0.000 0.427 193 V N 0.794 120.600 119.914 -0.180 0.000 2.656 193 V HA 0.530 4.650 4.120 0.000 0.000 0.307 193 V C 0.056 176.031 176.094 -0.198 0.000 1.051 193 V CA -0.812 61.367 62.300 -0.201 0.000 0.893 193 V CB 1.124 32.830 31.823 -0.195 0.000 0.999 193 V HN 0.921 nan 8.190 nan 0.000 0.426 194 N N 3.121 121.692 118.700 -0.215 0.000 2.701 194 N HA -0.242 4.498 4.740 0.000 0.000 0.250 194 N C 0.494 175.891 175.510 -0.188 0.000 1.046 194 N CA 1.321 54.249 53.050 -0.204 0.000 0.733 194 N CB -1.117 37.256 38.487 -0.190 0.000 0.973 194 N HN 0.976 nan 8.380 nan 0.000 0.541 195 N N -2.803 115.781 118.700 -0.193 0.000 2.747 195 N HA -0.196 4.544 4.740 0.000 0.000 0.249 195 N C -0.293 175.105 175.510 -0.186 0.000 1.107 195 N CA 1.667 54.600 53.050 -0.195 0.000 0.707 195 N CB -1.424 36.966 38.487 -0.161 0.000 1.054 195 N HN 0.745 nan 8.380 nan 0.000 0.555 196 T N -3.550 110.896 114.554 -0.180 0.000 2.618 196 T HA 0.736 5.086 4.350 0.000 0.000 0.293 196 T C 0.115 174.725 174.700 -0.149 0.000 1.093 196 T CA -0.876 61.130 62.100 -0.157 0.000 1.061 196 T CB 2.121 70.925 68.868 -0.107 0.000 1.498 196 T HN -0.017 nan 8.240 nan 0.000 0.494 197 M N 1.264 120.794 119.600 -0.116 0.000 2.761 197 M HA 0.433 4.913 4.480 0.000 0.000 0.305 197 M C -0.759 175.462 176.300 -0.132 0.000 1.235 197 M CA -0.703 54.528 55.300 -0.115 0.000 0.850 197 M CB 1.518 34.077 32.600 -0.069 0.000 1.744 197 M HN 1.010 nan 8.290 nan 0.000 0.480 198 N N 0.477 119.054 118.700 -0.204 0.000 2.691 198 N HA -0.198 4.542 4.740 0.000 0.000 0.277 198 N C -1.254 174.068 175.510 -0.313 0.000 1.029 198 N CA 0.194 53.024 53.050 -0.366 0.000 0.798 198 N CB -1.571 36.824 38.487 -0.154 0.000 0.922 198 N HN 0.553 nan 8.380 nan 0.000 0.562 199 L N -0.285 120.747 121.223 -0.319 0.000 2.399 199 L HA 0.582 4.922 4.340 0.000 0.000 0.266 199 L C 0.036 176.852 176.870 -0.090 0.000 1.114 199 L CA -0.053 54.694 54.840 -0.155 0.000 0.804 199 L CB 1.329 43.301 42.059 -0.145 0.000 1.146 199 L HN 0.330 nan 8.230 nan 0.000 0.451 200 T N 3.432 118.024 114.554 0.063 0.000 2.794 200 T HA 0.275 4.625 4.350 0.000 0.000 0.280 200 T C -1.512 173.297 174.700 0.182 0.000 0.987 200 T CA 0.138 62.338 62.100 0.166 0.000 0.993 200 T CB 0.569 69.542 68.868 0.175 0.000 0.939 200 T HN 0.569 nan 8.240 nan 0.000 0.449 201 W N 4.293 125.566 121.300 -0.046 0.000 2.338 201 W HA 0.405 5.065 4.660 -0.000 0.000 0.315 201 W C -0.606 175.839 176.519 -0.123 0.000 1.005 201 W CA -1.483 55.797 57.345 -0.109 0.000 1.380 201 W CB 0.282 29.644 29.460 -0.162 0.000 1.235 201 W HN 0.602 nan 8.180 nan 0.000 0.409 202 E N 4.426 124.588 120.200 -0.064 0.000 2.223 202 E HA 0.269 4.619 4.350 0.000 0.000 0.282 202 E C 0.006 176.344 176.600 -0.436 0.000 1.046 202 E CA -0.216 56.057 56.400 -0.212 0.000 0.857 202 E CB 1.369 31.032 29.700 -0.061 0.000 1.055 202 E HN 0.364 nan 8.360 nan 0.000 0.409 203 V N 0.617 120.156 119.914 -0.625 0.000 3.019 203 V HA 0.448 4.568 4.120 0.000 0.000 0.317 203 V C -0.504 175.371 176.094 -0.365 0.000 1.094 203 V CA -1.066 60.807 62.300 -0.710 0.000 1.000 203 V CB 2.119 33.151 31.823 -1.318 0.000 1.060 203 V HN 0.450 nan 8.190 nan 0.000 0.443 204 Q N 2.105 121.828 119.800 -0.129 0.000 2.274 204 Q HA 0.550 4.890 4.340 0.000 0.000 0.260 204 Q C -2.682 173.271 176.000 -0.078 0.000 0.974 204 Q CA -2.119 53.642 55.803 -0.070 0.000 0.876 204 Q CB 2.049 30.785 28.738 -0.003 0.000 1.297 204 Q HN 0.660 nan 8.270 nan 0.000 0.446 205 P HA -0.069 nan 4.420 nan 0.000 0.269 205 P C -0.205 177.102 177.300 0.011 0.000 1.215 205 P CA 0.127 63.267 63.100 0.067 0.000 0.780 205 P CB 0.412 32.181 31.700 0.116 0.000 0.898 206 D N -0.360 120.021 120.400 -0.031 0.000 2.737 206 D HA -0.132 4.508 4.640 0.000 0.000 0.238 206 D C -1.100 175.176 176.300 -0.039 0.000 1.157 206 D CA 1.179 55.138 54.000 -0.070 0.000 0.694 206 D CB -1.450 39.393 40.800 0.072 0.000 1.021 206 D HN 0.310 nan 8.370 nan 0.000 0.420 207 T N 0.829 115.289 114.554 -0.157 0.000 2.916 207 T HA 0.518 4.868 4.350 0.000 0.000 0.298 207 T C -0.204 174.509 174.700 0.021 0.000 1.031 207 T CA -0.719 61.336 62.100 -0.074 0.000 0.993 207 T CB 1.814 70.568 68.868 -0.191 0.000 1.045 207 T HN -0.017 nan 8.240 nan 0.000 0.454 208 T N 3.381 118.010 114.554 0.125 0.000 2.728 208 T HA 0.425 4.775 4.350 0.000 0.000 0.296 208 T C -0.807 173.948 174.700 0.093 0.000 0.940 208 T CA -0.287 61.960 62.100 0.244 0.000 1.013 208 T CB -0.087 68.946 68.868 0.275 0.000 0.912 208 T HN 0.384 nan 8.240 nan 0.000 0.484 209 Y N 2.052 122.479 120.300 0.211 0.000 2.330 209 Y HA 0.491 5.041 4.550 -0.000 0.000 0.336 209 Y C 0.058 176.024 175.900 0.110 0.000 1.036 209 Y CA -1.317 56.904 58.100 0.201 0.000 1.125 209 Y CB 1.178 39.828 38.460 0.315 0.000 1.194 209 Y HN 0.453 nan 8.280 nan 0.000 0.469 210 L N 5.452 126.724 121.223 0.081 0.000 2.283 210 L HA 0.368 4.708 4.340 0.000 0.000 0.287 210 L C -1.110 175.698 176.870 -0.102 0.000 1.073 210 L CA -0.009 54.734 54.840 -0.161 0.000 0.822 210 L CB 0.031 41.650 42.059 -0.735 0.000 1.186 210 L HN 0.615 nan 8.230 nan 0.000 0.436 211 L N 6.469 127.651 121.223 -0.069 0.000 2.294 211 L HA 0.504 4.844 4.340 0.000 0.000 0.283 211 L C -0.339 176.419 176.870 -0.187 0.000 1.015 211 L CA -0.630 54.117 54.840 -0.156 0.000 0.831 211 L CB 0.636 42.612 42.059 -0.139 0.000 1.217 211 L HN 0.675 nan 8.230 nan 0.000 0.420 212 R N 6.058 126.414 120.500 -0.240 0.000 2.205 212 R HA 0.425 4.765 4.340 0.000 0.000 0.342 212 R C -0.792 175.325 176.300 -0.305 0.000 1.058 212 R CA -0.266 55.691 56.100 -0.237 0.000 0.904 212 R CB 0.591 30.755 30.300 -0.226 0.000 1.089 212 R HN 0.533 nan 8.270 nan 0.000 0.471 213 I N 3.380 123.764 120.570 -0.309 0.000 2.312 213 I HA 0.255 4.425 4.170 0.000 0.000 0.290 213 I C -0.329 175.554 176.117 -0.390 0.000 1.008 213 I CA -0.837 60.195 61.300 -0.447 0.000 1.226 213 I CB 1.514 39.156 38.000 -0.597 0.000 1.371 213 I HN 0.164 nan 8.210 nan 0.000 0.468 214 V N 5.151 124.792 119.914 -0.456 0.000 2.487 214 V HA 0.303 4.423 4.120 0.000 0.000 0.298 214 V C -0.123 175.621 176.094 -0.583 0.000 1.028 214 V CA -0.751 61.243 62.300 -0.511 0.000 0.860 214 V CB 1.859 33.363 31.823 -0.531 0.000 0.991 214 V HN 0.668 nan 8.190 nan 0.000 0.427 215 N N 3.840 122.173 118.700 -0.612 0.000 2.521 215 N HA 0.137 4.877 4.740 0.000 0.000 0.236 215 N C 0.403 175.424 175.510 -0.815 0.000 1.067 215 N CA -0.306 52.384 53.050 -0.600 0.000 0.939 215 N CB 1.424 39.614 38.487 -0.495 0.000 1.201 215 N HN 0.613 nan 8.380 nan 0.000 0.511 216 V N 1.404 120.849 119.914 -0.782 0.000 3.415 216 V HA 0.493 4.613 4.120 0.000 0.000 0.325 216 V C 1.144 177.047 176.094 -0.318 0.000 1.313 216 V CA -0.451 61.279 62.300 -0.950 0.000 1.228 216 V CB -0.613 30.778 31.823 -0.720 0.000 1.131 216 V HN 0.375 nan 8.190 nan 0.000 0.433 217 G N 0.190 108.847 108.800 -0.238 0.000 2.616 217 G HA2 0.464 4.424 3.960 0.000 0.000 0.268 217 G HA3 0.464 4.424 3.960 0.000 0.000 0.268 217 G C 0.859 175.862 174.900 0.171 0.000 1.213 217 G CA -0.024 45.067 45.100 -0.016 0.000 0.926 217 G HN 0.548 nan 8.290 nan 0.000 0.523 218 G N -1.749 107.112 108.800 0.101 0.000 2.921 218 G HA2 0.277 4.237 3.960 0.000 0.000 0.213 218 G HA3 0.277 4.237 3.960 0.000 0.000 0.213 218 G C 0.551 175.484 174.900 0.055 0.000 1.143 218 G CA 0.600 45.663 45.100 -0.062 0.000 0.764 218 G HN 0.446 nan 8.290 nan 0.000 0.542 219 F N -0.425 119.505 119.950 -0.034 0.000 1.835 219 F HA 0.485 5.012 4.527 0.000 0.000 0.231 219 F C 0.112 175.902 175.800 -0.018 0.000 1.216 219 F CA -0.589 57.421 58.000 0.017 0.000 1.310 219 F CB 0.267 39.415 39.000 0.246 0.000 1.827 219 F HN -0.121 nan 8.300 nan 0.000 0.352 220 V N 2.430 122.142 119.914 -0.337 0.000 2.546 220 V HA 0.444 4.564 4.120 0.000 0.000 0.284 220 V C 0.149 175.969 176.094 -0.456 0.000 1.050 220 V CA -0.240 61.709 62.300 -0.584 0.000 0.981 220 V CB 1.171 32.745 31.823 -0.415 0.000 0.990 220 V HN 0.438 nan 8.190 nan 0.000 0.474 221 S N 5.300 120.706 115.700 -0.491 0.000 2.593 221 S HA 0.376 4.846 4.470 0.000 0.000 0.269 221 S C -0.392 173.801 174.600 -0.678 0.000 1.334 221 S CA -0.348 57.464 58.200 -0.647 0.000 1.015 221 S CB 0.698 63.395 63.200 -0.839 0.000 0.912 221 S HN 0.814 nan 8.310 nan 0.000 0.541 222 Q N 0.436 119.770 119.800 -0.776 0.000 2.372 222 Q HA 0.389 4.729 4.340 0.000 0.000 0.273 222 Q C -1.621 174.035 176.000 -0.572 0.000 1.078 222 Q CA -0.539 54.925 55.803 -0.565 0.000 0.806 222 Q CB 1.848 30.342 28.738 -0.406 0.000 1.332 222 Q HN 0.633 nan 8.270 nan 0.000 0.435 223 Y N 1.060 121.305 120.300 -0.090 0.000 2.299 223 Y HA 0.445 4.995 4.550 0.000 0.000 0.326 223 Y C -0.493 175.558 175.900 0.252 0.000 1.164 223 Y CA -0.347 57.820 58.100 0.112 0.000 1.234 223 Y CB 0.821 39.448 38.460 0.278 0.000 1.219 223 Y HN 0.501 nan 8.280 nan 0.000 0.497 224 F N 4.411 124.534 119.950 0.288 0.000 2.561 224 F HA 0.653 5.180 4.527 0.000 0.000 0.313 224 F C -1.621 174.399 175.800 0.367 0.000 1.126 224 F CA -1.286 56.793 58.000 0.132 0.000 0.918 224 F CB 1.117 40.063 39.000 -0.090 0.000 1.199 224 F HN 0.655 nan 8.300 nan 0.000 0.444 225 W N 5.782 126.633 121.300 -0.748 0.000 3.059 225 W HA 0.750 5.410 4.660 0.000 0.000 0.329 225 W C -2.563 173.627 176.519 -0.548 0.000 1.246 225 W CA -1.388 55.661 57.345 -0.493 0.000 1.190 225 W CB 0.649 30.014 29.460 -0.159 0.000 1.423 225 W HN 0.457 nan 8.180 nan 0.000 0.571 226 I N 2.445 122.947 120.570 -0.113 0.000 2.389 226 I HA 0.155 4.325 4.170 0.000 0.000 0.288 226 I C 0.258 176.495 176.117 0.200 0.000 0.999 226 I CA -1.008 60.249 61.300 -0.071 0.000 1.129 226 I CB 1.701 39.703 38.000 0.004 0.000 1.288 226 I HN 0.633 nan 8.210 nan 0.000 0.444 227 E N 6.140 126.470 120.200 0.216 0.000 2.652 227 E HA -0.184 4.166 4.350 0.000 0.000 0.255 227 E C -0.003 176.796 176.600 0.331 0.000 0.952 227 E CA 0.595 57.198 56.400 0.338 0.000 0.947 227 E CB 0.227 30.148 29.700 0.369 0.000 0.912 227 E HN 0.595 nan 8.360 nan 0.000 0.489 228 D N 2.114 122.624 120.400 0.183 0.000 3.039 228 D HA -0.214 4.426 4.640 0.000 0.000 0.222 228 D C -1.329 174.746 176.300 -0.375 0.000 1.179 228 D CA 1.258 55.214 54.000 -0.072 0.000 0.880 228 D CB -1.183 39.551 40.800 -0.110 0.000 1.115 228 D HN 0.529 nan 8.370 nan 0.000 0.416 229 H N 0.041 119.078 119.070 -0.055 0.000 2.744 229 H HA 0.412 4.968 4.556 0.000 0.000 0.339 229 H C 0.034 175.389 175.328 0.046 0.000 1.004 229 H CA -0.613 55.413 56.048 -0.036 0.000 1.257 229 H CB 1.154 30.886 29.762 -0.050 0.000 1.552 229 H HN -0.071 nan 8.280 nan 0.000 0.522 230 E N 2.764 123.043 120.200 0.132 0.000 2.374 230 E HA 0.326 4.676 4.350 0.000 0.000 0.260 230 E C -0.394 176.305 176.600 0.165 0.000 1.101 230 E CA -0.335 56.141 56.400 0.127 0.000 0.907 230 E CB 1.143 30.894 29.700 0.085 0.000 1.014 230 E HN 0.430 nan 8.360 nan 0.000 0.427 231 M N 1.272 120.965 119.600 0.153 0.000 2.253 231 M HA 0.239 4.719 4.480 0.000 0.000 0.314 231 M C -1.004 175.372 176.300 0.127 0.000 1.019 231 M CA -0.560 54.838 55.300 0.162 0.000 0.932 231 M CB 2.137 34.853 32.600 0.194 0.000 1.606 231 M HN 0.315 nan 8.290 nan 0.000 0.430 232 T N 2.704 117.320 114.554 0.104 0.000 2.781 232 T HA 0.372 4.722 4.350 0.000 0.000 0.305 232 T C 0.084 174.815 174.700 0.051 0.000 1.001 232 T CA -0.595 61.536 62.100 0.052 0.000 0.950 232 T CB 0.417 69.284 68.868 -0.002 0.000 0.955 232 T HN 0.377 nan 8.240 nan 0.000 0.471 233 V N 4.758 124.718 119.914 0.077 0.000 2.521 233 V HA 0.113 4.233 4.120 0.000 0.000 0.286 233 V C 1.335 177.453 176.094 0.040 0.000 1.034 233 V CA 0.074 62.437 62.300 0.105 0.000 1.045 233 V CB 0.713 32.645 31.823 0.182 0.000 0.974 233 V HN 0.887 nan 8.190 nan 0.000 0.480 234 V N 0.927 120.877 119.914 0.061 0.000 3.451 234 V HA 0.521 4.641 4.120 0.000 0.000 0.288 234 V C 0.254 176.451 176.094 0.172 0.000 1.502 234 V CA 0.169 62.521 62.300 0.086 0.000 1.026 234 V CB 0.283 32.166 31.823 0.101 0.000 0.840 234 V HN 0.839 nan 8.190 nan 0.000 0.437 235 E N 1.173 121.433 120.200 0.100 0.000 2.381 235 E HA 0.527 4.877 4.350 0.000 0.000 0.286 235 E C -1.884 174.656 176.600 -0.101 0.000 0.960 235 E CA -0.678 55.747 56.400 0.042 0.000 0.793 235 E CB 2.983 32.742 29.700 0.098 0.000 1.225 235 E HN 0.536 nan 8.360 nan 0.000 0.420 236 I N 0.296 120.760 120.570 -0.176 0.000 2.545 236 I HA 0.512 4.682 4.170 0.000 0.000 0.292 236 I C -0.674 175.278 176.117 -0.275 0.000 1.040 236 I CA -0.787 60.305 61.300 -0.346 0.000 1.068 236 I CB 1.844 39.551 38.000 -0.487 0.000 1.251 236 I HN 0.358 nan 8.210 nan 0.000 0.424 237 D N 4.641 124.855 120.400 -0.310 0.000 2.692 237 D HA -0.187 4.453 4.640 0.000 0.000 0.233 237 D C 1.271 177.375 176.300 -0.327 0.000 1.172 237 D CA 1.978 55.808 54.000 -0.284 0.000 0.636 237 D CB -1.091 39.594 40.800 -0.192 0.000 1.028 237 D HN 1.398 nan 8.370 nan 0.000 0.419 238 G N -1.312 107.241 108.800 -0.412 0.000 2.205 238 G HA2 -0.309 3.651 3.960 0.000 0.000 0.261 238 G HA3 -0.309 3.651 3.960 0.000 0.000 0.261 238 G C 0.254 175.123 174.900 -0.052 0.000 0.980 238 G CA 0.255 45.147 45.100 -0.347 0.000 0.632 238 G HN 0.485 nan 8.290 nan 0.000 0.533 239 I N 2.827 123.365 120.570 -0.053 0.000 2.306 239 I HA 0.281 4.451 4.170 0.000 0.000 0.288 239 I C 0.811 176.947 176.117 0.032 0.000 1.036 239 I CA -0.494 60.817 61.300 0.018 0.000 1.221 239 I CB 0.217 38.214 38.000 -0.004 0.000 1.385 239 I HN -0.008 nan 8.210 nan 0.000 0.472 240 T N 4.708 119.310 114.554 0.080 0.000 2.908 240 T HA 0.116 4.466 4.350 0.000 0.000 0.301 240 T C 0.608 175.376 174.700 0.114 0.000 1.019 240 T CA 0.420 62.569 62.100 0.082 0.000 1.152 240 T CB 0.754 69.607 68.868 -0.025 0.000 0.966 240 T HN 0.663 nan 8.240 nan 0.000 0.540 241 T N 2.079 116.714 114.554 0.136 0.000 2.942 241 T HA 0.308 4.658 4.350 0.000 0.000 0.289 241 T C -0.510 174.336 174.700 0.243 0.000 1.044 241 T CA -0.998 61.193 62.100 0.152 0.000 1.023 241 T CB 0.925 69.843 68.868 0.083 0.000 1.123 241 T HN 0.483 nan 8.240 nan 0.000 0.512 242 E N 2.257 122.584 120.200 0.211 0.000 2.373 242 E HA 0.138 4.488 4.350 0.000 0.000 0.267 242 E C -0.031 176.629 176.600 0.099 0.000 1.032 242 E CA -0.103 56.430 56.400 0.222 0.000 0.889 242 E CB 0.506 30.290 29.700 0.141 0.000 0.984 242 E HN 0.473 nan 8.360 nan 0.000 0.425 243 K N 2.421 122.823 120.400 0.004 0.000 2.473 243 K HA -0.054 4.266 4.320 0.000 0.000 0.277 243 K C 0.194 176.787 176.600 -0.011 0.000 1.052 243 K CA 0.443 56.663 56.287 -0.112 0.000 1.114 243 K CB 0.112 32.498 32.500 -0.189 0.000 0.869 243 K HN 0.246 nan 8.250 nan 0.000 0.481 244 N N 2.776 121.485 118.700 0.014 0.000 2.461 244 N HA 0.160 4.900 4.740 0.000 0.000 0.284 244 N C -1.377 174.171 175.510 0.063 0.000 1.049 244 N CA -0.507 52.575 53.050 0.053 0.000 0.889 244 N CB 1.485 40.027 38.487 0.091 0.000 1.365 244 N HN 0.095 nan 8.380 nan 0.000 0.499 245 V N 3.069 123.014 119.914 0.052 0.000 2.488 245 V HA 0.482 4.602 4.120 0.000 0.000 0.277 245 V C 0.475 176.614 176.094 0.075 0.000 1.046 245 V CA -0.018 62.318 62.300 0.060 0.000 0.986 245 V CB 0.822 32.669 31.823 0.041 0.000 0.989 245 V HN 0.822 nan 8.190 nan 0.000 0.475 246 T N 0.543 115.156 114.554 0.098 0.000 2.812 246 T HA 0.450 4.800 4.350 0.000 0.000 0.294 246 T C -0.042 174.722 174.700 0.108 0.000 1.159 246 T CA -0.751 61.410 62.100 0.102 0.000 1.008 246 T CB 2.216 71.166 68.868 0.137 0.000 1.289 246 T HN 0.476 nan 8.240 nan 0.000 0.514 247 D N -0.371 120.084 120.400 0.091 0.000 2.392 247 D HA 0.223 4.863 4.640 0.000 0.000 0.206 247 D C 0.191 176.569 176.300 0.131 0.000 1.046 247 D CA 0.352 54.406 54.000 0.090 0.000 0.865 247 D CB 0.802 41.615 40.800 0.023 0.000 0.969 247 D HN 0.409 nan 8.370 nan 0.000 0.509 248 M N 0.928 120.620 119.600 0.154 0.000 2.421 248 M HA 0.338 4.818 4.480 0.000 0.000 0.287 248 M C -2.113 174.361 176.300 0.291 0.000 1.183 248 M CA -0.510 54.928 55.300 0.228 0.000 0.916 248 M CB 2.649 35.321 32.600 0.120 0.000 1.701 248 M HN -0.275 nan 8.290 nan 0.000 0.470 249 L N 3.166 124.566 121.223 0.296 0.000 2.342 249 L HA 0.520 4.860 4.340 0.000 0.000 0.271 249 L C -1.537 175.397 176.870 0.107 0.000 1.008 249 L CA -0.909 54.010 54.840 0.132 0.000 0.818 249 L CB 2.045 44.033 42.059 -0.118 0.000 1.296 249 L HN 0.662 nan 8.230 nan 0.000 0.427 250 Y N 3.498 123.677 120.300 -0.201 0.000 2.356 250 Y HA 0.599 5.149 4.550 0.000 0.000 0.334 250 Y C -0.776 174.870 175.900 -0.423 0.000 0.958 250 Y CA -0.549 57.248 58.100 -0.505 0.000 1.196 250 Y CB 0.860 38.673 38.460 -1.078 0.000 1.137 250 Y HN 0.352 nan 8.280 nan 0.000 0.485 251 I N 6.492 126.580 120.570 -0.802 0.000 2.382 251 I HA 0.274 4.444 4.170 0.000 0.000 0.286 251 I C 0.286 176.009 176.117 -0.655 0.000 1.002 251 I CA -0.697 60.269 61.300 -0.558 0.000 1.135 251 I CB 1.791 39.510 38.000 -0.467 0.000 1.288 251 I HN 0.653 nan 8.210 nan 0.000 0.448 252 T N 3.181 117.488 114.554 -0.412 0.000 2.788 252 T HA 0.460 4.810 4.350 0.000 0.000 0.287 252 T C 0.480 175.005 174.700 -0.292 0.000 1.007 252 T CA -0.832 61.060 62.100 -0.347 0.000 1.005 252 T CB 1.231 70.058 68.868 -0.068 0.000 1.012 252 T HN 0.384 nan 8.240 nan 0.000 0.530 253 V N -0.394 119.368 119.914 -0.254 0.000 2.763 253 V HA 0.474 4.594 4.120 0.000 0.000 0.306 253 V C 1.579 177.458 176.094 -0.359 0.000 1.059 253 V CA -0.053 62.079 62.300 -0.280 0.000 1.138 253 V CB -0.776 30.981 31.823 -0.110 0.000 0.940 253 V HN 2.197 nan 8.190 nan 0.000 0.489 254 A N 1.377 123.825 122.820 -0.620 0.000 3.829 254 A HA -0.213 4.107 4.320 0.000 0.000 0.264 254 A C 0.751 177.980 177.584 -0.591 0.000 0.998 254 A CA 1.488 53.076 52.037 -0.748 0.000 1.270 254 A CB -2.443 16.011 19.000 -0.910 0.000 1.063 254 A HN 1.574 nan 8.150 nan 0.000 0.879 255 Q N -0.676 118.897 119.800 -0.378 0.000 2.260 255 Q HA 0.739 5.079 4.340 0.000 0.000 0.238 255 Q C -0.355 175.483 176.000 -0.270 0.000 0.948 255 Q CA -0.687 54.979 55.803 -0.227 0.000 0.895 255 Q CB 0.758 29.481 28.738 -0.026 0.000 1.218 255 Q HN 0.455 nan 8.270 nan 0.000 0.470 256 R N 0.965 121.325 120.500 -0.234 0.000 2.513 256 R HA 0.406 4.746 4.340 0.000 0.000 0.301 256 R C -1.603 174.586 176.300 -0.185 0.000 0.968 256 R CA -0.321 55.644 56.100 -0.225 0.000 0.872 256 R CB 1.338 31.464 30.300 -0.291 0.000 1.177 256 R HN 0.602 nan 8.270 nan 0.000 0.444 257 Y N 0.930 121.105 120.300 -0.209 0.000 2.328 257 Y HA 0.379 4.929 4.550 -0.000 0.000 0.336 257 Y C 0.094 175.907 175.900 -0.145 0.000 0.960 257 Y CA -0.742 57.280 58.100 -0.130 0.000 1.134 257 Y CB 2.289 40.697 38.460 -0.087 0.000 1.166 257 Y HN 0.441 nan 8.280 nan 0.000 0.464 258 T N 3.800 118.352 114.554 -0.002 0.000 2.799 258 T HA 0.572 4.922 4.350 0.000 0.000 0.286 258 T C -0.621 174.108 174.700 0.049 0.000 0.973 258 T CA -0.603 61.485 62.100 -0.021 0.000 1.035 258 T CB 1.229 70.072 68.868 -0.042 0.000 0.932 258 T HN 0.298 nan 8.240 nan 0.000 0.469 259 V N 4.007 123.941 119.914 0.033 0.000 2.841 259 V HA 0.452 4.572 4.120 0.000 0.000 0.310 259 V C -0.593 175.549 176.094 0.081 0.000 1.090 259 V CA -0.955 61.392 62.300 0.078 0.000 0.930 259 V CB 2.136 34.023 31.823 0.107 0.000 1.014 259 V HN 0.749 nan 8.190 nan 0.000 0.425 260 L N 4.687 125.969 121.223 0.099 0.000 2.292 260 L HA 0.660 5.000 4.340 0.000 0.000 0.284 260 L C -0.687 176.294 176.870 0.185 0.000 1.065 260 L CA -0.533 54.390 54.840 0.138 0.000 0.806 260 L CB 1.638 43.764 42.059 0.112 0.000 1.175 260 L HN 0.327 nan 8.230 nan 0.000 0.431 261 V N 1.886 121.956 119.914 0.260 0.000 2.577 261 V HA 0.253 4.373 4.120 0.000 0.000 0.303 261 V C -0.917 175.393 176.094 0.359 0.000 1.042 261 V CA -0.669 61.809 62.300 0.297 0.000 0.872 261 V CB 1.733 33.745 31.823 0.314 0.000 0.998 261 V HN 0.638 nan 8.190 nan 0.000 0.423 262 H N 3.000 122.203 119.070 0.222 0.000 2.519 262 H HA 0.601 5.157 4.556 -0.000 0.000 0.316 262 H C 0.360 175.831 175.328 0.237 0.000 1.065 262 H CA -0.121 56.050 56.048 0.205 0.000 1.264 262 H CB 1.360 31.205 29.762 0.138 0.000 1.413 262 H HN 0.794 nan 8.280 nan 0.000 0.465 263 T N 2.315 116.731 114.554 -0.229 0.000 2.904 263 T HA 0.280 4.630 4.350 0.000 0.000 0.290 263 T C 0.225 174.866 174.700 -0.097 0.000 1.018 263 T CA -1.068 61.006 62.100 -0.043 0.000 1.075 263 T CB 0.954 69.767 68.868 -0.092 0.000 0.986 263 T HN 0.675 nan 8.240 nan 0.000 0.523 264 K N 1.810 122.335 120.400 0.208 0.000 2.155 264 K HA 0.305 4.625 4.320 0.000 0.000 0.237 264 K C 0.501 177.175 176.600 0.124 0.000 1.040 264 K CA -0.967 55.370 56.287 0.083 0.000 0.912 264 K CB 0.313 32.786 32.500 -0.045 0.000 1.137 264 K HN 0.339 nan 8.250 nan 0.000 0.498 265 N N 0.515 119.257 118.700 0.070 0.000 2.409 265 N HA -0.033 4.707 4.740 0.000 0.000 0.179 265 N C -0.580 174.974 175.510 0.074 0.000 1.032 265 N CA 0.772 53.867 53.050 0.075 0.000 0.898 265 N CB 0.016 38.538 38.487 0.058 0.000 0.971 265 N HN 0.479 nan 8.380 nan 0.000 0.441 266 D N 0.024 120.447 120.400 0.038 0.000 2.277 266 D HA 0.127 4.767 4.640 0.000 0.000 0.249 266 D C 0.139 176.459 176.300 0.033 0.000 1.134 266 D CA 0.235 54.244 54.000 0.014 0.000 0.863 266 D CB 1.359 42.143 40.800 -0.026 0.000 1.143 266 D HN -0.024 nan 8.370 nan 0.000 0.458 267 T N 1.150 115.753 114.554 0.082 0.000 3.278 267 T HA -0.027 4.323 4.350 0.000 0.000 0.251 267 T C 1.132 175.865 174.700 0.056 0.000 1.039 267 T CA -0.085 62.098 62.100 0.139 0.000 0.935 267 T CB 0.025 68.960 68.868 0.112 0.000 1.034 267 T HN 0.428 nan 8.240 nan 0.000 0.575 268 D N 0.758 121.150 120.400 -0.014 0.000 2.201 268 D HA 0.041 4.681 4.640 0.000 0.000 0.209 268 D C 0.839 177.085 176.300 -0.090 0.000 0.961 268 D CA 0.705 54.679 54.000 -0.043 0.000 0.861 268 D CB 0.402 41.174 40.800 -0.046 0.000 0.997 268 D HN 0.000 nan 8.370 nan 0.000 0.486 269 K N 0.309 120.611 120.400 -0.163 0.000 2.385 269 K HA 0.366 4.686 4.320 0.000 0.000 0.248 269 K C -1.123 175.269 176.600 -0.346 0.000 0.955 269 K CA -0.828 55.278 56.287 -0.302 0.000 0.816 269 K CB 1.782 34.003 32.500 -0.465 0.000 1.250 269 K HN 0.066 nan 8.250 nan 0.000 0.434 270 N N 1.006 119.487 118.700 -0.365 0.000 2.466 270 N HA 0.487 5.227 4.740 0.000 0.000 0.294 270 N C -0.931 174.325 175.510 -0.425 0.000 1.129 270 N CA -0.194 52.751 53.050 -0.175 0.000 0.931 270 N CB 0.784 39.229 38.487 -0.071 0.000 1.193 270 N HN 0.260 nan 8.380 nan 0.000 0.500 271 F N 0.053 120.070 119.950 0.112 0.000 2.563 271 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 271 F C 0.403 176.252 175.800 0.083 0.000 1.076 271 F CA -1.138 56.926 58.000 0.107 0.000 0.921 271 F CB 1.422 40.534 39.000 0.186 0.000 1.209 271 F HN 0.346 nan 8.300 nan 0.000 0.462 272 A N 3.305 126.260 122.820 0.225 0.000 2.328 272 A HA 0.651 4.971 4.320 0.000 0.000 0.284 272 A C -0.469 177.083 177.584 -0.053 0.000 1.160 272 A CA -0.384 51.700 52.037 0.078 0.000 0.818 272 A CB -0.127 18.878 19.000 0.008 0.000 1.087 272 A HN 0.705 nan 8.150 nan 0.000 0.504 273 I N 2.752 123.244 120.570 -0.129 0.000 2.325 273 I HA 0.269 4.439 4.170 0.000 0.000 0.291 273 I C -0.075 175.744 176.117 -0.497 0.000 1.019 273 I CA -0.011 61.110 61.300 -0.298 0.000 1.302 273 I CB 1.262 39.180 38.000 -0.138 0.000 1.401 273 I HN 0.627 nan 8.210 nan 0.000 0.485 274 M N 7.437 126.506 119.600 -0.884 0.000 2.311 274 M HA 0.333 4.813 4.480 0.000 0.000 0.325 274 M C -0.786 174.913 176.300 -1.003 0.000 1.061 274 M CA -0.283 54.378 55.300 -1.065 0.000 0.957 274 M CB 1.599 33.135 32.600 -1.773 0.000 1.646 274 M HN 0.547 nan 8.290 nan 0.000 0.434 275 Q N 3.521 122.992 119.800 -0.549 0.000 2.375 275 Q HA 0.656 4.996 4.340 0.000 0.000 0.271 275 Q C -1.553 174.353 176.000 -0.156 0.000 1.074 275 Q CA -1.033 54.613 55.803 -0.263 0.000 0.808 275 Q CB 2.771 31.443 28.738 -0.111 0.000 1.327 275 Q HN 0.645 nan 8.270 nan 0.000 0.441 276 K N 2.802 123.224 120.400 0.036 0.000 2.464 276 K HA 0.370 4.690 4.320 0.000 0.000 0.253 276 K C -1.395 175.299 176.600 0.157 0.000 0.933 276 K CA -0.763 55.639 56.287 0.191 0.000 0.801 276 K CB 1.638 34.407 32.500 0.448 0.000 1.271 276 K HN 0.616 nan 8.250 nan 0.000 0.430 277 F N 1.810 121.803 119.950 0.071 0.000 2.602 277 F HA -0.066 4.461 4.527 -0.000 0.000 0.367 277 F C 1.175 177.012 175.800 0.062 0.000 1.126 277 F CA 0.566 58.566 58.000 -0.001 0.000 1.321 277 F CB 0.490 39.484 39.000 -0.010 0.000 1.094 277 F HN 0.487 nan 8.300 nan 0.000 0.594 278 D N 3.362 123.836 120.400 0.123 0.000 2.483 278 D HA 0.025 4.665 4.640 0.000 0.000 0.220 278 D C 0.632 177.010 176.300 0.131 0.000 1.173 278 D CA -0.414 53.650 54.000 0.108 0.000 0.964 278 D CB 0.023 40.761 40.800 -0.104 0.000 1.046 278 D HN 0.471 nan 8.370 nan 0.000 0.517 279 D N 0.917 121.417 120.400 0.167 0.000 2.350 279 D HA -0.138 4.502 4.640 0.000 0.000 0.216 279 D C 1.395 177.721 176.300 0.043 0.000 0.968 279 D CA 0.511 54.547 54.000 0.060 0.000 0.894 279 D CB -0.334 40.477 40.800 0.018 0.000 0.909 279 D HN 0.222 nan 8.370 nan 0.000 0.520 280 T N 0.457 115.051 114.554 0.067 0.000 2.737 280 T HA -0.140 4.210 4.350 0.000 0.000 0.269 280 T C 1.748 176.474 174.700 0.044 0.000 1.040 280 T CA 1.487 63.622 62.100 0.057 0.000 1.142 280 T CB -0.253 68.653 68.868 0.064 0.000 0.861 280 T HN 0.266 nan 8.240 nan 0.000 0.456 281 M N 0.307 119.911 119.600 0.005 0.000 2.492 281 M HA 0.165 4.645 4.480 0.000 0.000 0.262 281 M C 0.107 176.483 176.300 0.127 0.000 1.090 281 M CA 0.551 55.850 55.300 -0.002 0.000 1.110 281 M CB -0.247 32.214 32.600 -0.231 0.000 1.407 281 M HN 0.137 nan 8.290 nan 0.000 0.470 282 L N 0.619 121.894 121.223 0.087 0.000 2.349 282 L HA 0.070 4.410 4.340 0.000 0.000 0.275 282 L C 1.027 177.961 176.870 0.107 0.000 1.115 282 L CA -0.378 54.542 54.840 0.133 0.000 0.820 282 L CB 0.576 42.636 42.059 0.002 0.000 1.135 282 L HN 0.089 nan 8.230 nan 0.000 0.445 283 D N 2.196 122.667 120.400 0.117 0.000 2.092 283 D HA -0.120 4.520 4.640 0.000 0.000 0.193 283 D C 0.305 176.629 176.300 0.040 0.000 0.994 283 D CA 1.262 55.308 54.000 0.077 0.000 0.828 283 D CB 0.427 41.263 40.800 0.059 0.000 0.963 283 D HN 0.278 nan 8.370 nan 0.000 0.450 284 V N -1.884 118.038 119.914 0.014 0.000 3.102 284 V HA 0.500 4.620 4.120 0.000 0.000 0.312 284 V C -0.319 175.752 176.094 -0.038 0.000 1.135 284 V CA -1.169 61.127 62.300 -0.007 0.000 1.022 284 V CB 1.998 33.816 31.823 -0.008 0.000 1.056 284 V HN -0.004 nan 8.190 nan 0.000 0.436 285 I N 2.762 123.302 120.570 -0.049 0.000 2.330 285 I HA 0.456 4.626 4.170 0.000 0.000 0.286 285 I C -2.247 173.825 176.117 -0.076 0.000 1.025 285 I CA -1.604 59.643 61.300 -0.088 0.000 1.197 285 I CB 1.477 39.428 38.000 -0.081 0.000 1.358 285 I HN 0.539 nan 8.210 nan 0.000 0.467 286 P HA 0.076 nan 4.420 nan 0.000 0.268 286 P C 0.722 177.984 177.300 -0.063 0.000 1.204 286 P CA -0.194 62.864 63.100 -0.070 0.000 0.768 286 P CB 0.696 32.347 31.700 -0.081 0.000 0.842 287 S N 0.429 116.105 115.700 -0.039 0.000 2.507 287 S HA -0.137 4.333 4.470 0.000 0.000 0.235 287 S C 1.100 175.686 174.600 -0.022 0.000 0.988 287 S CA 0.938 59.122 58.200 -0.027 0.000 0.944 287 S CB -0.505 62.686 63.200 -0.015 0.000 0.762 287 S HN 0.641 nan 8.310 nan 0.000 0.526 288 D N 0.535 120.918 120.400 -0.028 0.000 2.389 288 D HA 0.090 4.730 4.640 0.000 0.000 0.206 288 D C 0.523 176.807 176.300 -0.025 0.000 1.055 288 D CA -0.427 53.562 54.000 -0.018 0.000 0.856 288 D CB -0.429 40.364 40.800 -0.012 0.000 0.957 288 D HN 0.380 nan 8.370 nan 0.000 0.509 289 L N 2.467 123.655 121.223 -0.058 0.000 2.500 289 L HA 0.081 4.421 4.340 0.000 0.000 0.272 289 L C -0.021 176.823 176.870 -0.043 0.000 1.149 289 L CA 0.127 54.917 54.840 -0.083 0.000 0.897 289 L CB 0.536 42.483 42.059 -0.187 0.000 1.178 289 L HN -0.130 nan 8.230 nan 0.000 0.473 290 Q N 5.998 125.808 119.800 0.015 0.000 2.325 290 Q HA 0.050 4.390 4.340 0.000 0.000 0.256 290 Q C 0.982 177.059 176.000 0.129 0.000 1.142 290 Q CA 0.349 56.189 55.803 0.061 0.000 0.902 290 Q CB 0.712 29.492 28.738 0.069 0.000 1.350 290 Q HN 0.801 nan 8.270 nan 0.000 0.449 291 L N 1.896 123.182 121.223 0.106 0.000 2.156 291 L HA -0.183 4.157 4.340 0.000 0.000 0.208 291 L C 0.207 177.267 176.870 0.316 0.000 1.095 291 L CA 0.955 55.923 54.840 0.214 0.000 0.770 291 L CB -0.037 42.085 42.059 0.106 0.000 0.914 291 L HN 0.528 nan 8.230 nan 0.000 0.439 292 N N -0.260 118.542 118.700 0.170 0.000 2.284 292 N HA 0.606 5.346 4.740 0.000 0.000 0.300 292 N C -0.909 174.606 175.510 0.008 0.000 1.047 292 N CA -0.497 52.610 53.050 0.096 0.000 0.821 292 N CB 1.791 40.340 38.487 0.103 0.000 1.337 292 N HN -0.035 nan 8.380 nan 0.000 0.482 293 A N 0.985 123.763 122.820 -0.069 0.000 2.342 293 A HA 0.751 5.071 4.320 0.000 0.000 0.323 293 A C -0.660 176.804 177.584 -0.200 0.000 1.125 293 A CA -0.637 51.334 52.037 -0.110 0.000 0.785 293 A CB 0.878 19.816 19.000 -0.104 0.000 1.221 293 A HN 0.619 nan 8.150 nan 0.000 0.463 294 T N 2.116 116.554 114.554 -0.193 0.000 2.771 294 T HA 0.599 4.949 4.350 0.000 0.000 0.281 294 T C 0.183 174.637 174.700 -0.409 0.000 0.982 294 T CA -0.191 61.764 62.100 -0.242 0.000 0.978 294 T CB 1.140 69.942 68.868 -0.110 0.000 0.930 294 T HN 0.596 nan 8.240 nan 0.000 0.447 295 S N 1.512 116.933 115.700 -0.464 0.000 2.759 295 S HA 0.684 5.154 4.470 0.000 0.000 0.310 295 S C -1.317 172.970 174.600 -0.522 0.000 1.123 295 S CA -0.857 56.918 58.200 -0.710 0.000 0.959 295 S CB 0.819 63.785 63.200 -0.389 0.000 1.172 295 S HN 0.662 nan 8.310 nan 0.000 0.539 296 Y N 0.771 121.072 120.300 0.002 0.000 2.326 296 Y HA 0.484 5.034 4.550 -0.000 0.000 0.331 296 Y C -0.114 175.826 175.900 0.067 0.000 0.962 296 Y CA -0.682 57.431 58.100 0.022 0.000 1.167 296 Y CB 0.997 39.460 38.460 0.004 0.000 1.148 296 Y HN 0.422 nan 8.280 nan 0.000 0.463 297 M N 5.035 124.761 119.600 0.210 0.000 2.135 297 M HA 0.409 4.889 4.480 0.000 0.000 0.345 297 M C -1.623 174.729 176.300 0.088 0.000 1.340 297 M CA -0.476 54.870 55.300 0.076 0.000 1.162 297 M CB 0.135 32.752 32.600 0.028 0.000 1.570 297 M HN 0.496 nan 8.290 nan 0.000 0.454 298 V N 7.108 126.995 119.914 -0.044 0.000 2.328 298 V HA 0.137 4.257 4.120 0.000 0.000 0.278 298 V C -0.272 175.780 176.094 -0.070 0.000 1.021 298 V CA -0.266 62.042 62.300 0.012 0.000 0.838 298 V CB 0.763 32.593 31.823 0.011 0.000 0.999 298 V HN 0.840 nan 8.190 nan 0.000 0.447 299 Y N 2.045 122.311 120.300 -0.056 0.000 2.397 299 Y HA 0.184 4.734 4.550 0.000 0.000 0.292 299 Y C 1.435 177.313 175.900 -0.036 0.000 1.115 299 Y CA 0.534 58.608 58.100 -0.043 0.000 1.208 299 Y CB 0.407 38.885 38.460 0.031 0.000 1.046 299 Y HN 0.544 nan 8.280 nan 0.000 0.552 300 N N 0.408 119.184 118.700 0.127 0.000 2.491 300 N HA 0.097 4.837 4.740 0.000 0.000 0.274 300 N C 0.277 175.793 175.510 0.010 0.000 1.023 300 N CA -0.079 53.001 53.050 0.051 0.000 0.902 300 N CB 1.101 39.608 38.487 0.032 0.000 1.267 300 N HN 0.041 nan 8.380 nan 0.000 0.503 301 K N 1.037 121.437 120.400 -0.000 0.000 2.211 301 K HA -0.062 4.258 4.320 0.000 0.000 0.204 301 K C 0.625 177.210 176.600 -0.025 0.000 1.047 301 K CA 1.378 57.658 56.287 -0.013 0.000 0.935 301 K CB 0.289 32.784 32.500 -0.009 0.000 0.728 301 K HN 0.493 nan 8.250 nan 0.000 0.452 302 T N 0.177 114.718 114.554 -0.023 0.000 3.014 302 T HA 0.168 4.518 4.350 0.000 0.000 0.250 302 T C 0.688 175.363 174.700 -0.042 0.000 1.060 302 T CA 0.088 62.170 62.100 -0.030 0.000 1.040 302 T CB 0.352 69.207 68.868 -0.021 0.000 0.971 302 T HN 0.211 nan 8.240 nan 0.000 0.497 303 A N 1.500 124.293 122.820 -0.046 0.000 2.292 303 A HA 0.742 5.062 4.320 0.000 0.000 0.265 303 A C 0.692 178.224 177.584 -0.088 0.000 1.133 303 A CA -0.355 51.644 52.037 -0.063 0.000 0.807 303 A CB -0.245 18.717 19.000 -0.064 0.000 1.102 303 A HN 0.450 nan 8.150 nan 0.000 0.502 304 A N -0.020 122.739 122.820 -0.101 0.000 2.488 304 A HA 0.466 4.786 4.320 0.000 0.000 0.249 304 A C 0.252 177.739 177.584 -0.162 0.000 1.083 304 A CA -0.211 51.754 52.037 -0.120 0.000 0.768 304 A CB -0.565 18.370 19.000 -0.107 0.000 1.017 304 A HN 0.701 nan 8.150 nan 0.000 0.496 305 L N 4.652 125.744 121.223 -0.219 0.000 2.455 305 L HA 0.193 4.533 4.340 0.000 0.000 0.272 305 L C -1.561 175.153 176.870 -0.259 0.000 1.174 305 L CA -1.331 53.292 54.840 -0.362 0.000 0.869 305 L CB 0.178 41.864 42.059 -0.621 0.000 1.130 305 L HN 0.566 nan 8.230 nan 0.000 0.474 306 P HA 0.067 nan 4.420 nan 0.000 0.268 306 P C -0.206 177.096 177.300 0.003 0.000 1.205 306 P CA -0.312 62.755 63.100 -0.055 0.000 0.771 306 P CB 0.570 32.292 31.700 0.038 0.000 0.858 307 T N -0.582 113.964 114.554 -0.013 0.000 2.788 307 T HA 0.140 4.490 4.350 0.000 0.000 0.280 307 T C 0.377 175.061 174.700 -0.028 0.000 0.984 307 T CA -0.773 61.325 62.100 -0.003 0.000 0.972 307 T CB 0.367 69.235 68.868 -0.001 0.000 1.039 307 T HN 0.507 nan 8.240 nan 0.000 0.530 308 Q N 0.976 120.716 119.800 -0.100 0.000 2.315 308 Q HA -0.033 4.307 4.340 0.000 0.000 0.289 308 Q C -0.045 175.802 176.000 -0.256 0.000 1.044 308 Q CA -0.049 55.620 55.803 -0.224 0.000 0.920 308 Q CB 0.265 28.778 28.738 -0.375 0.000 1.214 308 Q HN 0.716 nan 8.270 nan 0.000 0.392 309 N N 4.346 122.962 118.700 -0.140 0.000 2.437 309 N HA 0.072 4.812 4.740 0.000 0.000 0.243 309 N C -1.447 174.119 175.510 0.094 0.000 1.041 309 N CA -0.149 52.921 53.050 0.033 0.000 0.940 309 N CB 0.372 38.969 38.487 0.183 0.000 1.133 309 N HN 0.470 nan 8.380 nan 0.000 0.506 310 Y N 1.997 122.405 120.300 0.179 0.000 2.377 310 Y HA 0.166 4.716 4.550 0.000 0.000 0.330 310 Y C 0.673 176.638 175.900 0.107 0.000 1.108 310 Y CA -0.239 57.948 58.100 0.144 0.000 1.308 310 Y CB 1.160 39.666 38.460 0.077 0.000 1.216 310 Y HN 0.157 nan 8.280 nan 0.000 0.518 311 V N 3.269 123.300 119.914 0.194 0.000 2.628 311 V HA 0.135 4.255 4.120 0.000 0.000 0.306 311 V C 0.003 176.059 176.094 -0.065 0.000 1.045 311 V CA -0.418 61.846 62.300 -0.061 0.000 0.905 311 V CB 2.013 33.547 31.823 -0.482 0.000 0.997 311 V HN 0.878 nan 8.190 nan 0.000 0.436 312 D N 2.092 122.434 120.400 -0.096 0.000 2.289 312 D HA 0.113 4.753 4.640 0.000 0.000 0.207 312 D C 0.469 176.708 176.300 -0.102 0.000 0.966 312 D CA 1.174 55.131 54.000 -0.073 0.000 0.868 312 D CB 0.421 41.186 40.800 -0.059 0.000 0.943 312 D HN 0.495 nan 8.370 nan 0.000 0.514 313 S N -1.006 114.597 115.700 -0.162 0.000 2.533 313 S HA 0.342 4.812 4.470 0.000 0.000 0.271 313 S C -0.275 174.172 174.600 -0.255 0.000 1.143 313 S CA -0.833 57.267 58.200 -0.166 0.000 0.891 313 S CB 0.738 63.864 63.200 -0.124 0.000 1.105 313 S HN 0.146 nan 8.310 nan 0.000 0.468 314 I N 0.271 120.687 120.570 -0.256 0.000 3.889 314 I HA 0.587 4.757 4.170 0.000 0.000 0.332 314 I C -0.159 175.905 176.117 -0.088 0.000 1.493 314 I CA -0.234 60.823 61.300 -0.404 0.000 1.158 314 I CB 0.114 37.710 38.000 -0.674 0.000 1.117 314 I HN 0.313 nan 8.210 nan 0.000 0.411 315 D N 0.563 120.940 120.400 -0.038 0.000 2.433 315 D HA 0.100 4.740 4.640 0.000 0.000 0.211 315 D C 0.891 177.071 176.300 -0.201 0.000 1.114 315 D CA 0.193 54.185 54.000 -0.014 0.000 0.837 315 D CB 0.209 40.980 40.800 -0.048 0.000 0.984 315 D HN 0.253 nan 8.370 nan 0.000 0.505 316 N N 0.641 119.254 118.700 -0.145 0.000 2.234 316 N HA 0.086 4.826 4.740 0.000 0.000 0.227 316 N C -0.155 175.278 175.510 -0.128 0.000 1.151 316 N CA -0.237 52.700 53.050 -0.188 0.000 0.865 316 N CB 0.438 38.852 38.487 -0.121 0.000 1.066 316 N HN 0.210 nan 8.380 nan 0.000 0.515 317 F N 0.393 120.370 119.950 0.045 0.000 2.539 317 F HA 0.206 4.733 4.527 0.000 0.000 0.340 317 F C 0.827 176.713 175.800 0.143 0.000 1.185 317 F CA -1.265 56.808 58.000 0.123 0.000 1.333 317 F CB 0.243 39.395 39.000 0.255 0.000 1.152 317 F HN -0.188 nan 8.300 nan 0.000 0.602 318 L N 2.444 123.880 121.223 0.355 0.000 2.513 318 L HA 0.098 4.439 4.340 0.000 0.000 0.272 318 L C -0.238 176.892 176.870 0.433 0.000 1.187 318 L CA 0.379 55.399 54.840 0.299 0.000 0.895 318 L CB -0.322 41.924 42.059 0.311 0.000 1.147 318 L HN 0.728 nan 8.230 nan 0.000 0.483 319 D N 3.695 124.286 120.400 0.318 0.000 2.365 319 D HA 0.025 4.665 4.640 0.000 0.000 0.237 319 D C 0.816 177.397 176.300 0.467 0.000 1.190 319 D CA -0.184 54.076 54.000 0.434 0.000 0.867 319 D CB 0.716 41.760 40.800 0.407 0.000 1.050 319 D HN 0.686 nan 8.370 nan 0.000 0.491 320 D N 3.110 123.785 120.400 0.458 0.000 2.311 320 D HA -0.251 4.389 4.640 0.000 0.000 0.212 320 D C 1.719 178.153 176.300 0.224 0.000 0.972 320 D CA 0.249 54.456 54.000 0.346 0.000 0.887 320 D CB -0.464 40.543 40.800 0.344 0.000 0.915 320 D HN 0.455 nan 8.370 nan 0.000 0.497 321 F N 1.009 121.002 119.950 0.071 0.000 2.202 321 F HA -0.197 4.330 4.527 -0.000 0.000 0.301 321 F C 1.302 176.987 175.800 -0.192 0.000 1.082 321 F CA 1.143 59.067 58.000 -0.127 0.000 1.313 321 F CB -0.255 38.573 39.000 -0.287 0.000 1.024 321 F HN -0.145 nan 8.300 nan 0.000 0.495 322 Y N -0.354 120.017 120.300 0.119 0.000 2.457 322 Y HA 0.190 4.740 4.550 0.000 0.000 0.263 322 Y C 0.472 176.375 175.900 0.004 0.000 1.164 322 Y CA -0.830 57.289 58.100 0.033 0.000 1.274 322 Y CB -0.318 38.226 38.460 0.140 0.000 1.097 322 Y HN -0.187 nan 8.280 nan 0.000 0.523 323 L N 1.283 122.573 121.223 0.111 0.000 2.483 323 L HA -0.005 4.335 4.340 0.000 0.000 0.276 323 L C -0.011 176.868 176.870 0.015 0.000 1.213 323 L CA 0.263 55.147 54.840 0.073 0.000 0.843 323 L CB 0.354 42.446 42.059 0.053 0.000 1.107 323 L HN 0.271 nan 8.230 nan 0.000 0.487 324 Q N 4.792 124.614 119.800 0.037 0.000 2.363 324 Q HA 0.362 4.702 4.340 0.000 0.000 0.265 324 Q C -2.252 173.768 176.000 0.033 0.000 1.032 324 Q CA -1.912 53.903 55.803 0.021 0.000 0.746 324 Q CB 1.574 30.328 28.738 0.026 0.000 1.237 324 Q HN 0.395 nan 8.270 nan 0.000 0.475 325 P HA -0.137 nan 4.420 nan 0.000 0.266 325 P C -0.377 176.960 177.300 0.061 0.000 1.195 325 P CA 0.241 63.368 63.100 0.046 0.000 0.768 325 P CB 0.466 32.179 31.700 0.022 0.000 0.838 326 Y N 2.990 123.278 120.300 -0.020 0.000 2.181 326 Y HA -0.129 4.421 4.550 -0.000 0.000 0.288 326 Y C 0.778 176.645 175.900 -0.055 0.000 1.146 326 Y CA 1.468 59.541 58.100 -0.044 0.000 1.164 326 Y CB 0.083 38.495 38.460 -0.080 0.000 0.982 326 Y HN 0.361 nan 8.280 nan 0.000 0.515 327 E N 2.469 122.696 120.200 0.045 0.000 1.941 327 E HA 0.078 4.428 4.350 0.000 0.000 0.275 327 E C -0.576 176.000 176.600 -0.039 0.000 1.113 327 E CA -0.214 56.171 56.400 -0.025 0.000 0.878 327 E CB 0.325 30.067 29.700 0.069 0.000 1.070 327 E HN 0.285 nan 8.360 nan 0.000 0.399 328 K N 2.716 123.048 120.400 -0.113 0.000 2.412 328 K HA 0.090 4.410 4.320 0.000 0.000 0.281 328 K C -0.129 176.493 176.600 0.036 0.000 1.027 328 K CA 0.517 56.751 56.287 -0.089 0.000 0.989 328 K CB 0.566 32.874 32.500 -0.319 0.000 0.935 328 K HN 0.411 nan 8.250 nan 0.000 0.475 329 E N 1.198 121.469 120.200 0.118 0.000 2.246 329 E HA 0.288 4.638 4.350 0.000 0.000 0.266 329 E C -1.076 175.551 176.600 0.045 0.000 0.880 329 E CA -0.701 55.736 56.400 0.063 0.000 0.762 329 E CB 1.941 31.601 29.700 -0.067 0.000 1.180 329 E HN 0.656 nan 8.360 nan 0.000 0.416 330 A N 3.427 126.213 122.820 -0.057 0.000 2.483 330 A HA 0.132 4.452 4.320 0.000 0.000 0.238 330 A C 0.388 177.713 177.584 -0.432 0.000 1.070 330 A CA -0.244 51.533 52.037 -0.432 0.000 0.770 330 A CB 0.127 18.907 19.000 -0.366 0.000 1.008 330 A HN 0.848 nan 8.150 nan 0.000 0.497 331 I N 1.882 122.205 120.570 -0.413 0.000 2.906 331 I HA -0.045 4.125 4.170 0.000 0.000 0.302 331 I C -0.306 175.653 176.117 -0.263 0.000 1.220 331 I CA 0.158 61.264 61.300 -0.323 0.000 1.441 331 I CB 0.099 37.986 38.000 -0.188 0.000 1.336 331 I HN 0.622 nan 8.210 nan 0.000 0.565 332 Y N 6.103 126.343 120.300 -0.101 0.000 2.578 332 Y HA 0.216 4.766 4.550 0.000 0.000 0.339 332 Y C 1.432 177.282 175.900 -0.084 0.000 1.231 332 Y CA 0.050 58.096 58.100 -0.089 0.000 1.461 332 Y CB 0.364 38.763 38.460 -0.102 0.000 1.323 332 Y HN 0.702 nan 8.280 nan 0.000 0.590 333 G N 1.422 110.293 108.800 0.120 0.000 2.647 333 G HA2 0.008 3.968 3.960 0.000 0.000 0.271 333 G HA3 0.008 3.968 3.960 0.000 0.000 0.271 333 G C -0.484 174.435 174.900 0.032 0.000 1.300 333 G CA -0.784 44.349 45.100 0.054 0.000 0.997 333 G HN 0.565 nan 8.290 nan 0.000 0.533 334 E N 0.822 121.039 120.200 0.029 0.000 2.652 334 E HA 0.030 4.380 4.350 0.000 0.000 0.255 334 E C -1.898 174.692 176.600 -0.016 0.000 0.952 334 E CA -0.564 55.849 56.400 0.021 0.000 0.947 334 E CB 0.270 29.989 29.700 0.033 0.000 0.912 334 E HN 0.100 nan 8.360 nan 0.000 0.489 335 P HA 0.030 nan 4.420 nan 0.000 0.268 335 P C 0.263 177.525 177.300 -0.063 0.000 1.204 335 P CA -0.050 63.000 63.100 -0.083 0.000 0.768 335 P CB 0.610 32.251 31.700 -0.098 0.000 0.842 336 D N -0.205 120.148 120.400 -0.077 0.000 2.234 336 D HA -0.078 4.562 4.640 0.000 0.000 0.205 336 D C 0.180 176.459 176.300 -0.034 0.000 0.962 336 D CA 1.523 55.492 54.000 -0.052 0.000 0.855 336 D CB 0.097 40.865 40.800 -0.052 0.000 0.951 336 D HN 0.408 nan 8.370 nan 0.000 0.500 337 H N -0.019 118.959 119.070 -0.153 0.000 3.018 337 H HA 0.341 4.897 4.556 -0.000 0.000 0.334 337 H C -1.500 173.705 175.328 -0.206 0.000 0.983 337 H CA -0.445 55.507 56.048 -0.160 0.000 1.363 337 H CB 0.865 30.518 29.762 -0.182 0.000 1.668 337 H HN -0.346 nan 8.280 nan 0.000 0.513 338 V N 7.773 127.730 119.914 0.073 0.000 2.370 338 V HA 0.332 4.452 4.120 0.000 0.000 0.283 338 V C 0.496 176.577 176.094 -0.022 0.000 1.023 338 V CA -0.550 61.742 62.300 -0.014 0.000 0.857 338 V CB 1.379 33.186 31.823 -0.026 0.000 0.985 338 V HN 0.576 nan 8.190 nan 0.000 0.443 339 I N 4.277 124.726 120.570 -0.202 0.000 2.330 339 I HA 0.359 4.529 4.170 0.000 0.000 0.289 339 I C 0.080 176.021 176.117 -0.293 0.000 1.001 339 I CA -0.050 61.024 61.300 -0.378 0.000 1.193 339 I CB 1.642 39.149 38.000 -0.822 0.000 1.345 339 I HN 0.505 nan 8.210 nan 0.000 0.461 340 T N 6.320 120.780 114.554 -0.156 0.000 2.756 340 T HA 0.471 4.821 4.350 0.000 0.000 0.290 340 T C -0.164 174.510 174.700 -0.044 0.000 0.985 340 T CA -0.562 61.489 62.100 -0.081 0.000 0.955 340 T CB 1.165 70.040 68.868 0.011 0.000 0.930 340 T HN 0.385 nan 8.240 nan 0.000 0.451 341 V N 0.327 120.195 119.914 -0.076 0.000 2.540 341 V HA 0.710 4.830 4.120 0.000 0.000 0.302 341 V C -1.031 175.127 176.094 0.107 0.000 1.035 341 V CA -1.129 61.192 62.300 0.035 0.000 0.873 341 V CB 1.930 33.697 31.823 -0.094 0.000 0.992 341 V HN 0.546 nan 8.190 nan 0.000 0.428 342 D N 3.091 123.603 120.400 0.186 0.000 2.198 342 D HA 0.596 5.236 4.640 0.000 0.000 0.245 342 D C -0.359 176.066 176.300 0.209 0.000 1.079 342 D CA -0.080 54.013 54.000 0.155 0.000 0.854 342 D CB 2.050 42.921 40.800 0.118 0.000 1.148 342 D HN 0.546 nan 8.370 nan 0.000 0.456 343 V N 2.950 122.943 119.914 0.133 0.000 2.370 343 V HA 0.547 4.667 4.120 0.000 0.000 0.279 343 V C -0.016 176.118 176.094 0.067 0.000 1.029 343 V CA -0.479 61.861 62.300 0.067 0.000 0.870 343 V CB 1.558 33.383 31.823 0.003 0.000 0.984 343 V HN 0.302 nan 8.190 nan 0.000 0.451 344 V N 6.405 126.380 119.914 0.103 0.000 3.120 344 V HA 0.603 4.723 4.120 0.000 0.000 0.303 344 V C -1.081 175.144 176.094 0.218 0.000 1.238 344 V CA -0.712 61.665 62.300 0.128 0.000 1.008 344 V CB 2.664 34.547 31.823 0.099 0.000 1.064 344 V HN 0.848 nan 8.190 nan 0.000 0.434 345 M N 4.257 123.966 119.600 0.182 0.000 2.300 345 M HA 0.684 5.164 4.480 0.000 0.000 0.348 345 M C -0.721 175.725 176.300 0.244 0.000 1.151 345 M CA 0.125 55.559 55.300 0.225 0.000 1.046 345 M CB 1.067 33.748 32.600 0.134 0.000 1.647 345 M HN 0.708 nan 8.290 nan 0.000 0.451 346 D N 0.696 121.328 120.400 0.387 0.000 2.622 346 D HA 0.368 5.008 4.640 0.000 0.000 0.255 346 D C -1.377 175.137 176.300 0.355 0.000 1.246 346 D CA -0.442 53.718 54.000 0.267 0.000 0.795 346 D CB 1.702 42.547 40.800 0.074 0.000 1.369 346 D HN 0.500 nan 8.370 nan 0.000 0.425 347 N N 1.181 120.008 118.700 0.210 0.000 2.518 347 N HA 0.397 5.137 4.740 0.000 0.000 0.283 347 N C -0.339 175.424 175.510 0.422 0.000 1.119 347 N CA -0.178 53.034 53.050 0.270 0.000 0.983 347 N CB 1.382 39.987 38.487 0.198 0.000 1.139 347 N HN 0.311 nan 8.380 nan 0.000 0.465 348 L N 1.095 122.573 121.223 0.426 0.000 2.421 348 L HA 0.323 4.663 4.340 0.000 0.000 0.267 348 L C 1.919 178.900 176.870 0.184 0.000 1.036 348 L CA -0.692 54.352 54.840 0.340 0.000 0.829 348 L CB 0.735 42.985 42.059 0.319 0.000 1.437 348 L HN 0.481 nan 8.230 nan 0.000 0.488 349 K N 0.627 121.075 120.400 0.079 0.000 2.211 349 K HA -0.190 4.130 4.320 0.000 0.000 0.204 349 K C 1.433 178.037 176.600 0.006 0.000 1.047 349 K CA 1.846 58.124 56.287 -0.016 0.000 0.935 349 K CB -0.017 32.467 32.500 -0.027 0.000 0.728 349 K HN 0.691 nan 8.250 nan 0.000 0.452 350 N N -0.551 118.190 118.700 0.069 0.000 2.515 350 N HA -0.033 4.707 4.740 0.000 0.000 0.185 350 N C 1.100 176.630 175.510 0.034 0.000 1.109 350 N CA 1.195 54.279 53.050 0.057 0.000 0.903 350 N CB 0.100 38.648 38.487 0.102 0.000 0.969 350 N HN 0.329 nan 8.380 nan 0.000 0.450 351 G N -0.676 108.154 108.800 0.049 0.000 2.199 351 G HA2 -0.272 3.688 3.960 0.000 0.000 0.254 351 G HA3 -0.272 3.688 3.960 0.000 0.000 0.254 351 G C 0.023 174.918 174.900 -0.008 0.000 0.982 351 G CA 0.532 45.644 45.100 0.020 0.000 0.632 351 G HN 0.880 nan 8.290 nan 0.000 0.529 352 V N -0.735 119.159 119.914 -0.033 0.000 2.863 352 V HA 0.710 4.830 4.120 0.000 0.000 0.307 352 V C 0.409 176.338 176.094 -0.276 0.000 1.061 352 V CA -0.594 61.575 62.300 -0.219 0.000 1.024 352 V CB 1.861 33.468 31.823 -0.360 0.000 1.049 352 V HN 0.343 nan 8.190 nan 0.000 0.471 353 N N 2.635 121.109 118.700 -0.377 0.000 2.414 353 N HA 0.340 5.080 4.740 0.000 0.000 0.256 353 N C -1.531 173.754 175.510 -0.375 0.000 1.029 353 N CA -0.232 52.678 53.050 -0.232 0.000 0.948 353 N CB 0.741 39.134 38.487 -0.156 0.000 1.102 353 N HN 0.766 nan 8.380 nan 0.000 0.496 354 Y N 0.807 121.101 120.300 -0.010 0.000 2.602 354 Y HA 0.592 5.142 4.550 -0.000 0.000 0.330 354 Y C 0.467 176.256 175.900 -0.185 0.000 1.114 354 Y CA -0.920 57.088 58.100 -0.154 0.000 1.182 354 Y CB 1.516 39.775 38.460 -0.334 0.000 1.305 354 Y HN 0.469 nan 8.280 nan 0.000 0.502 355 A N 1.384 124.141 122.820 -0.106 0.000 2.324 355 A HA 0.805 5.125 4.320 0.000 0.000 0.330 355 A C -1.705 175.666 177.584 -0.353 0.000 1.165 355 A CA -0.452 51.515 52.037 -0.115 0.000 0.813 355 A CB 0.247 19.220 19.000 -0.045 0.000 1.197 355 A HN 0.570 nan 8.150 nan 0.000 0.484 356 F N 0.342 120.298 119.950 0.011 0.000 2.529 356 F HA 0.496 5.023 4.527 0.000 0.000 0.320 356 F C -0.558 175.251 175.800 0.014 0.000 1.118 356 F CA -0.276 57.762 58.000 0.062 0.000 0.915 356 F CB 2.039 41.096 39.000 0.096 0.000 1.161 356 F HN 0.507 nan 8.300 nan 0.000 0.445 357 F N 4.072 124.271 119.950 0.415 0.000 2.391 357 F HA 0.262 4.789 4.527 -0.000 0.000 0.359 357 F C 0.817 176.895 175.800 0.463 0.000 1.122 357 F CA -0.344 57.876 58.000 0.368 0.000 1.120 357 F CB 0.580 39.769 39.000 0.316 0.000 1.142 357 F HN 0.612 nan 8.300 nan 0.000 0.483 358 N N 1.773 120.787 118.700 0.523 0.000 1.518 358 N HA -0.365 4.375 4.740 0.000 0.000 0.146 358 N C 0.626 176.297 175.510 0.269 0.000 0.621 358 N CA 1.917 55.173 53.050 0.343 0.000 1.108 358 N CB -0.852 37.844 38.487 0.349 0.000 1.310 358 N HN 0.716 nan 8.380 nan 0.000 0.457 359 N N 1.980 120.811 118.700 0.217 0.000 2.273 359 N HA 0.236 4.976 4.740 0.000 0.000 0.231 359 N C -0.420 175.266 175.510 0.294 0.000 1.134 359 N CA 0.139 53.264 53.050 0.125 0.000 0.856 359 N CB 0.165 38.663 38.487 0.018 0.000 1.068 359 N HN 0.589 nan 8.380 nan 0.000 0.510 360 I N 0.580 121.405 120.570 0.425 0.000 2.466 360 I HA 0.217 4.387 4.170 0.000 0.000 0.289 360 I C -0.500 175.821 176.117 0.340 0.000 1.026 360 I CA -0.600 60.885 61.300 0.309 0.000 1.078 360 I CB 2.227 40.211 38.000 -0.027 0.000 1.249 360 I HN -0.179 nan 8.210 nan 0.000 0.429 361 T N 4.940 119.530 114.554 0.060 0.000 2.767 361 T HA 0.196 4.546 4.350 0.000 0.000 0.288 361 T C -0.477 174.265 174.700 0.070 0.000 0.963 361 T CA -0.205 61.824 62.100 -0.118 0.000 1.019 361 T CB 0.314 68.902 68.868 -0.466 0.000 0.923 361 T HN 0.304 nan 8.240 nan 0.000 0.468 362 Y N 3.713 124.091 120.300 0.130 0.000 2.729 362 Y HA 0.147 4.697 4.550 -0.000 0.000 0.331 362 Y C 0.178 176.124 175.900 0.076 0.000 1.208 362 Y CA 0.328 58.537 58.100 0.181 0.000 1.521 362 Y CB 0.099 38.752 38.460 0.322 0.000 1.233 362 Y HN 0.527 nan 8.280 nan 0.000 0.539 363 T N 7.185 121.343 114.554 -0.660 0.000 2.833 363 T HA 0.601 4.951 4.350 0.000 0.000 0.297 363 T C -0.207 174.004 174.700 -0.815 0.000 1.015 363 T CA -0.412 61.366 62.100 -0.535 0.000 0.963 363 T CB 0.713 69.397 68.868 -0.307 0.000 0.955 363 T HN 0.912 nan 8.240 nan 0.000 0.449 364 A N 5.957 128.387 122.820 -0.649 0.000 2.565 364 A HA 0.432 4.752 4.320 0.000 0.000 0.237 364 A C -1.681 175.609 177.584 -0.490 0.000 1.053 364 A CA -0.607 51.141 52.037 -0.481 0.000 0.755 364 A CB -0.349 18.475 19.000 -0.294 0.000 0.980 364 A HN 0.534 nan 8.150 nan 0.000 0.506 365 P HA 0.277 nan 4.420 nan 0.000 0.279 365 P C 0.039 177.126 177.300 -0.354 0.000 1.276 365 P CA -0.453 62.482 63.100 -0.275 0.000 0.801 365 P CB 0.796 32.436 31.700 -0.100 0.000 1.127 366 K N -0.838 119.455 120.400 -0.178 0.000 2.296 366 K HA 0.129 4.449 4.320 0.000 0.000 0.200 366 K C 0.088 176.731 176.600 0.070 0.000 1.048 366 K CA 0.727 56.955 56.287 -0.099 0.000 0.966 366 K CB 0.053 32.519 32.500 -0.057 0.000 0.754 366 K HN 0.211 nan 8.250 nan 0.000 0.466 367 V N 2.242 122.216 119.914 0.100 0.000 2.577 367 V HA 0.217 4.337 4.120 0.000 0.000 0.303 367 V C -2.610 173.611 176.094 0.212 0.000 1.042 367 V CA -2.539 59.860 62.300 0.165 0.000 0.872 367 V CB 1.717 33.586 31.823 0.076 0.000 0.998 367 V HN -0.084 nan 8.190 nan 0.000 0.423 368 P HA 0.075 nan 4.420 nan 0.000 0.264 368 P C 1.116 178.456 177.300 0.068 0.000 1.183 368 P CA 0.418 63.610 63.100 0.153 0.000 0.763 368 P CB 0.501 32.184 31.700 -0.027 0.000 0.807 369 T N 2.542 117.120 114.554 0.040 0.000 2.624 369 T HA -0.228 4.122 4.350 0.000 0.000 0.268 369 T C 1.618 176.302 174.700 -0.028 0.000 1.041 369 T CA 1.415 63.520 62.100 0.009 0.000 1.159 369 T CB -0.674 68.141 68.868 -0.088 0.000 0.863 369 T HN 0.295 nan 8.240 nan 0.000 0.434 370 L N 0.392 121.553 121.223 -0.104 0.000 2.043 370 L HA -0.065 4.275 4.340 0.000 0.000 0.212 370 L C 2.224 179.056 176.870 -0.064 0.000 1.075 370 L CA 1.813 56.579 54.840 -0.123 0.000 0.752 370 L CB -0.710 41.242 42.059 -0.178 0.000 0.891 370 L HN 0.153 nan 8.230 nan 0.000 0.432 371 M N -0.851 118.722 119.600 -0.044 0.000 2.213 371 M HA -0.155 4.325 4.480 0.000 0.000 0.263 371 M C 2.231 178.535 176.300 0.007 0.000 1.062 371 M CA 2.158 57.445 55.300 -0.022 0.000 1.105 371 M CB -1.203 31.389 32.600 -0.015 0.000 1.385 371 M HN 0.601 nan 8.290 nan 0.000 0.417 372 T N -2.884 111.694 114.554 0.040 0.000 2.770 372 T HA -0.063 4.287 4.350 0.000 0.000 0.263 372 T C 1.905 176.645 174.700 0.066 0.000 1.039 372 T CA 1.264 63.398 62.100 0.056 0.000 1.142 372 T CB -1.102 67.824 68.868 0.096 0.000 0.868 372 T HN 0.230 nan 8.240 nan 0.000 0.435 373 V N 1.303 121.290 119.914 0.121 0.000 2.490 373 V HA 0.068 4.188 4.120 0.000 0.000 0.250 373 V C 2.274 178.374 176.094 0.009 0.000 1.061 373 V CA 1.546 63.896 62.300 0.084 0.000 1.064 373 V CB -0.738 31.105 31.823 0.033 0.000 0.670 373 V HN 0.614 nan 8.190 nan 0.000 0.461 374 L N 0.911 122.131 121.223 -0.005 0.000 2.610 374 L HA 0.114 4.454 4.340 0.000 0.000 0.232 374 L C 1.570 178.441 176.870 0.001 0.000 1.149 374 L CA 1.034 55.869 54.840 -0.009 0.000 0.872 374 L CB -0.153 41.891 42.059 -0.025 0.000 0.992 374 L HN 0.651 nan 8.230 nan 0.000 0.447 375 S N -3.836 111.866 115.700 0.003 0.000 2.993 375 S HA 0.040 4.510 4.470 0.000 0.000 0.257 375 S C 1.187 175.785 174.600 -0.003 0.000 0.997 375 S CA 0.068 58.269 58.200 0.002 0.000 1.191 375 S CB 0.191 63.390 63.200 -0.000 0.000 1.143 375 S HN 0.249 nan 8.310 nan 0.000 0.655 376 S N 0.631 116.327 115.700 -0.008 0.000 2.535 376 S HA 0.551 5.021 4.470 0.000 0.000 0.214 376 S C 1.639 176.243 174.600 0.006 0.000 0.980 376 S CA 0.540 58.724 58.200 -0.026 0.000 0.907 376 S CB -0.430 62.724 63.200 -0.076 0.000 0.790 376 S HN 1.440 nan 8.310 nan 0.000 0.510 377 G N 2.885 111.706 108.800 0.035 0.000 2.602 377 G HA2 -0.364 3.596 3.960 0.000 0.000 0.310 377 G HA3 -0.364 3.596 3.960 0.000 0.000 0.310 377 G C 0.199 175.195 174.900 0.160 0.000 1.183 377 G CA 0.642 45.791 45.100 0.081 0.000 0.979 377 G HN 0.463 nan 8.290 nan 0.000 0.545 378 D N 0.969 121.471 120.400 0.170 0.000 2.340 378 D HA 0.119 4.759 4.640 0.000 0.000 0.220 378 D C 2.083 178.536 176.300 0.255 0.000 1.039 378 D CA 0.764 54.937 54.000 0.288 0.000 0.866 378 D CB 0.443 41.333 40.800 0.150 0.000 0.913 378 D HN 0.521 nan 8.370 nan 0.000 0.523 379 Q N -0.240 119.623 119.800 0.106 0.000 2.280 379 Q HA 0.242 4.582 4.340 0.000 0.000 0.201 379 Q C 1.538 177.500 176.000 -0.063 0.000 0.890 379 Q CA -0.160 55.658 55.803 0.025 0.000 0.947 379 Q CB 0.415 29.137 28.738 -0.027 0.000 1.081 379 Q HN 0.110 nan 8.270 nan 0.000 0.502 380 A N 0.409 123.171 122.820 -0.097 0.000 2.168 380 A HA -0.127 4.193 4.320 0.000 0.000 0.215 380 A C 1.648 179.138 177.584 -0.157 0.000 1.152 380 A CA 1.206 53.144 52.037 -0.165 0.000 0.716 380 A CB -0.254 18.593 19.000 -0.256 0.000 0.794 380 A HN 0.337 nan 8.150 nan 0.000 0.465 381 N N 0.233 118.832 118.700 -0.168 0.000 2.446 381 N HA -0.059 4.681 4.740 0.000 0.000 0.179 381 N C 0.211 175.765 175.510 0.074 0.000 1.054 381 N CA 0.269 53.311 53.050 -0.013 0.000 0.905 381 N CB -0.398 38.232 38.487 0.240 0.000 0.973 381 N HN 0.419 nan 8.380 nan 0.000 0.448 382 N N -0.230 118.486 118.700 0.026 0.000 2.401 382 N HA 0.044 4.784 4.740 0.000 0.000 0.255 382 N C 0.758 176.261 175.510 -0.011 0.000 1.110 382 N CA 0.025 53.078 53.050 0.005 0.000 0.949 382 N CB 0.768 39.233 38.487 -0.036 0.000 1.110 382 N HN 0.115 nan 8.380 nan 0.000 0.490 383 S N 2.326 118.073 115.700 0.079 0.000 2.447 383 S HA -0.165 4.305 4.470 0.000 0.000 0.233 383 S C 1.456 176.093 174.600 0.062 0.000 1.006 383 S CA 0.610 58.911 58.200 0.169 0.000 0.957 383 S CB -0.295 62.983 63.200 0.129 0.000 0.773 383 S HN 0.773 nan 8.310 nan 0.000 0.507 384 E N 1.774 121.955 120.200 -0.030 0.000 2.118 384 E HA -0.197 4.153 4.350 0.000 0.000 0.195 384 E C 1.985 178.512 176.600 -0.121 0.000 0.992 384 E CA 1.621 57.984 56.400 -0.061 0.000 0.804 384 E CB -0.385 29.279 29.700 -0.059 0.000 0.741 384 E HN 0.896 nan 8.360 nan 0.000 0.458 385 I N -2.272 118.142 120.570 -0.260 0.000 2.830 385 I HA -0.161 4.009 4.170 0.000 0.000 0.263 385 I C 1.277 177.179 176.117 -0.359 0.000 1.230 385 I CA 0.903 61.993 61.300 -0.351 0.000 1.480 385 I CB -0.364 37.358 38.000 -0.462 0.000 1.095 385 I HN 0.012 nan 8.210 nan 0.000 0.455 386 Y N 2.495 122.765 120.300 -0.050 0.000 2.511 386 Y HA 0.457 5.007 4.550 0.000 0.000 0.279 386 Y C 1.428 177.295 175.900 -0.055 0.000 1.157 386 Y CA 0.252 58.322 58.100 -0.049 0.000 1.300 386 Y CB 0.018 38.451 38.460 -0.046 0.000 1.052 386 Y HN 0.400 nan 8.280 nan 0.000 0.529 387 G N -0.124 108.696 108.800 0.034 0.000 2.587 387 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 387 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 387 G C 0.380 175.262 174.900 -0.031 0.000 1.236 387 G CA -0.248 44.842 45.100 -0.017 0.000 0.820 387 G HN 0.226 nan 8.290 nan 0.000 0.645 388 S N -1.025 114.638 115.700 -0.060 0.000 2.492 388 S HA 0.121 4.591 4.470 0.000 0.000 0.218 388 S C 1.142 175.684 174.600 -0.097 0.000 1.016 388 S CA 1.036 59.190 58.200 -0.076 0.000 0.916 388 S CB 0.266 63.424 63.200 -0.070 0.000 0.791 388 S HN 0.720 nan 8.310 nan 0.000 0.513 389 N N 0.332 118.971 118.700 -0.102 0.000 2.321 389 N HA 0.250 4.990 4.740 0.000 0.000 0.242 389 N C 0.640 176.061 175.510 -0.147 0.000 1.141 389 N CA 0.206 53.184 53.050 -0.120 0.000 0.864 389 N CB 0.519 38.925 38.487 -0.135 0.000 1.100 389 N HN 0.328 nan 8.380 nan 0.000 0.510 390 T N -1.909 112.597 114.554 -0.080 0.000 2.975 390 T HA 0.037 4.387 4.350 0.000 0.000 0.257 390 T C 0.005 174.858 174.700 0.256 0.000 1.003 390 T CA 0.047 62.129 62.100 -0.030 0.000 0.932 390 T CB -0.191 68.671 68.868 -0.009 0.000 1.087 390 T HN 0.426 nan 8.240 nan 0.000 0.512 391 H N 1.564 120.679 119.070 0.074 0.000 2.591 391 H HA -0.122 4.434 4.556 -0.000 0.000 0.325 391 H C -0.974 174.323 175.328 -0.052 0.000 1.096 391 H CA 0.432 56.502 56.048 0.036 0.000 1.108 391 H CB -1.103 28.806 29.762 0.246 0.000 1.590 391 H HN 0.230 nan 8.280 nan 0.000 0.399 392 T N 2.368 116.903 114.554 -0.032 0.000 2.799 392 T HA 0.425 4.775 4.350 0.000 0.000 0.286 392 T C -0.113 174.393 174.700 -0.324 0.000 0.973 392 T CA -0.267 61.786 62.100 -0.077 0.000 1.035 392 T CB 0.676 69.532 68.868 -0.020 0.000 0.932 392 T HN 0.223 nan 8.240 nan 0.000 0.469 393 F N 1.918 121.894 119.950 0.043 0.000 2.508 393 F HA 0.587 5.114 4.527 0.000 0.000 0.325 393 F C 0.245 176.026 175.800 -0.032 0.000 1.090 393 F CA -1.209 56.806 58.000 0.024 0.000 0.945 393 F CB 1.327 40.298 39.000 -0.049 0.000 1.156 393 F HN 0.306 nan 8.300 nan 0.000 0.463 394 I N 4.369 125.062 120.570 0.204 0.000 2.336 394 I HA 0.358 4.528 4.170 0.000 0.000 0.292 394 I C -0.788 175.395 176.117 0.110 0.000 0.991 394 I CA -0.558 60.803 61.300 0.101 0.000 1.227 394 I CB 1.248 39.313 38.000 0.109 0.000 1.366 394 I HN 0.333 nan 8.210 nan 0.000 0.466 395 L N 5.633 126.877 121.223 0.036 0.000 2.325 395 L HA 0.473 4.813 4.340 0.000 0.000 0.278 395 L C 0.215 177.115 176.870 0.050 0.000 1.023 395 L CA -0.863 53.982 54.840 0.009 0.000 0.811 395 L CB 1.381 43.413 42.059 -0.045 0.000 1.249 395 L HN 0.498 nan 8.230 nan 0.000 0.431 396 E N 1.491 121.727 120.200 0.061 0.000 2.318 396 E HA 0.090 4.440 4.350 0.000 0.000 0.265 396 E C 0.602 177.230 176.600 0.046 0.000 1.069 396 E CA -0.371 56.071 56.400 0.070 0.000 0.893 396 E CB 1.313 31.056 29.700 0.072 0.000 1.076 396 E HN 0.487 nan 8.360 nan 0.000 0.414 397 K N 0.847 121.287 120.400 0.067 0.000 2.056 397 K HA -0.241 4.079 4.320 0.000 0.000 0.225 397 K C 0.714 177.330 176.600 0.027 0.000 1.053 397 K CA 2.237 58.559 56.287 0.059 0.000 0.966 397 K CB -0.069 32.468 32.500 0.061 0.000 0.735 397 K HN 0.250 nan 8.250 nan 0.000 0.455 398 D N 0.393 120.791 120.400 -0.003 0.000 2.582 398 D HA 0.042 4.682 4.640 0.000 0.000 0.246 398 D C -0.676 175.568 176.300 -0.093 0.000 1.334 398 D CA -0.133 53.845 54.000 -0.038 0.000 0.805 398 D CB 0.261 41.045 40.800 -0.027 0.000 1.087 398 D HN 0.584 nan 8.370 nan 0.000 0.499 399 E N 0.436 120.580 120.200 -0.093 0.000 2.404 399 E HA 0.143 4.493 4.350 0.000 0.000 0.261 399 E C -0.030 176.419 176.600 -0.252 0.000 1.074 399 E CA -0.099 56.223 56.400 -0.130 0.000 0.917 399 E CB 1.200 30.855 29.700 -0.075 0.000 0.965 399 E HN 0.046 nan 8.360 nan 0.000 0.433 400 I N 2.674 123.088 120.570 -0.260 0.000 2.337 400 I HA 0.085 4.255 4.170 0.000 0.000 0.291 400 I C -0.596 175.284 176.117 -0.395 0.000 1.046 400 I CA -0.685 60.388 61.300 -0.378 0.000 1.324 400 I CB 1.037 38.869 38.000 -0.280 0.000 1.409 400 I HN 0.346 nan 8.210 nan 0.000 0.494 401 V N 6.334 125.852 119.914 -0.659 0.000 2.483 401 V HA 0.351 4.471 4.120 0.000 0.000 0.295 401 V C -0.009 175.710 176.094 -0.626 0.000 1.035 401 V CA -0.646 61.227 62.300 -0.711 0.000 0.896 401 V CB 1.651 32.801 31.823 -1.122 0.000 0.986 401 V HN 0.726 nan 8.190 nan 0.000 0.447 402 E N 4.248 124.204 120.200 -0.407 0.000 2.199 402 E HA 0.564 4.914 4.350 0.000 0.000 0.265 402 E C -1.472 174.929 176.600 -0.332 0.000 0.882 402 E CA -0.677 55.529 56.400 -0.323 0.000 0.759 402 E CB 1.622 31.174 29.700 -0.247 0.000 1.148 402 E HN 0.663 nan 8.360 nan 0.000 0.412 403 I N 4.659 125.027 120.570 -0.336 0.000 2.312 403 I HA 0.224 4.394 4.170 0.000 0.000 0.290 403 I C -0.662 175.269 176.117 -0.309 0.000 1.008 403 I CA -0.866 60.193 61.300 -0.402 0.000 1.226 403 I CB 1.662 39.310 38.000 -0.586 0.000 1.371 403 I HN 0.317 nan 8.210 nan 0.000 0.468 404 V N 7.862 127.601 119.914 -0.291 0.000 2.350 404 V HA 0.359 4.479 4.120 0.000 0.000 0.276 404 V C -0.217 175.732 176.094 -0.241 0.000 1.028 404 V CA -0.528 61.629 62.300 -0.239 0.000 0.860 404 V CB 1.650 33.402 31.823 -0.118 0.000 0.990 404 V HN 0.476 nan 8.190 nan 0.000 0.453 405 L N 5.904 126.925 121.223 -0.337 0.000 2.325 405 L HA 0.623 4.963 4.340 0.000 0.000 0.281 405 L C -0.422 176.288 176.870 -0.268 0.000 1.004 405 L CA -0.227 54.364 54.840 -0.415 0.000 0.823 405 L CB 1.281 42.819 42.059 -0.868 0.000 1.236 405 L HN 0.547 nan 8.230 nan 0.000 0.415 406 N N 3.526 122.168 118.700 -0.097 0.000 2.511 406 N HA 0.179 4.919 4.740 0.000 0.000 0.249 406 N C -0.986 174.546 175.510 0.036 0.000 0.971 406 N CA -0.485 52.567 53.050 0.003 0.000 0.938 406 N CB 1.316 39.833 38.487 0.050 0.000 1.131 406 N HN 0.493 nan 8.380 nan 0.000 0.505 407 N N 1.409 120.152 118.700 0.073 0.000 2.405 407 N HA 0.000 4.740 4.740 0.000 0.000 0.260 407 N C 0.531 176.123 175.510 0.138 0.000 1.152 407 N CA 0.304 53.435 53.050 0.136 0.000 0.948 407 N CB 0.756 39.385 38.487 0.237 0.000 1.111 407 N HN 0.382 nan 8.380 nan 0.000 0.485 408 Q N 1.405 121.274 119.800 0.115 0.000 2.319 408 Q HA 0.156 4.496 4.340 0.000 0.000 0.202 408 Q C -0.734 175.339 176.000 0.122 0.000 0.896 408 Q CA 0.048 55.912 55.803 0.102 0.000 0.942 408 Q CB 0.262 29.044 28.738 0.074 0.000 1.083 408 Q HN 0.708 nan 8.270 nan 0.000 0.510 409 D N -2.052 118.445 120.400 0.162 0.000 2.277 409 D HA 0.071 4.711 4.640 0.000 0.000 0.250 409 D C 0.709 177.147 176.300 0.230 0.000 1.032 409 D CA -0.146 53.974 54.000 0.199 0.000 0.947 409 D CB 1.336 42.291 40.800 0.260 0.000 1.159 409 D HN 0.075 nan 8.370 nan 0.000 0.460 410 T N -0.456 114.215 114.554 0.196 0.000 3.169 410 T HA 0.322 4.672 4.350 0.000 0.000 0.250 410 T C 0.880 175.679 174.700 0.166 0.000 1.111 410 T CA -0.299 61.905 62.100 0.173 0.000 1.010 410 T CB -0.234 68.715 68.868 0.135 0.000 0.984 410 T HN 0.284 nan 8.240 nan 0.000 0.537 411 G N 0.211 109.123 108.800 0.185 0.000 2.552 411 G HA2 0.557 4.517 3.960 0.000 0.000 0.324 411 G HA3 0.557 4.517 3.960 0.000 0.000 0.324 411 G C -0.897 173.988 174.900 -0.025 0.000 1.217 411 G CA -0.717 44.411 45.100 0.047 0.000 0.989 411 G HN 0.230 nan 8.290 nan 0.000 0.490 412 T N 1.025 115.511 114.554 -0.114 0.000 2.837 412 T HA 0.485 4.835 4.350 0.000 0.000 0.285 412 T C -0.731 173.851 174.700 -0.198 0.000 0.984 412 T CA -0.088 62.006 62.100 -0.011 0.000 1.049 412 T CB 0.519 69.395 68.868 0.013 0.000 0.947 412 T HN 0.433 nan 8.240 nan 0.000 0.472 413 H N 3.222 122.447 119.070 0.257 0.000 2.689 413 H HA 0.302 4.858 4.556 -0.000 0.000 0.346 413 H C -2.732 172.677 175.328 0.135 0.000 1.037 413 H CA -2.097 54.015 56.048 0.107 0.000 1.234 413 H CB 2.282 31.977 29.762 -0.112 0.000 1.572 413 H HN 0.340 nan 8.280 nan 0.000 0.524 414 P HA 0.203 nan 4.420 nan 0.000 0.283 414 P C -0.639 176.717 177.300 0.093 0.000 1.412 414 P CA -0.301 62.945 63.100 0.243 0.000 0.912 414 P CB -0.166 31.647 31.700 0.189 0.000 1.132 415 F N 2.915 123.083 119.950 0.364 0.000 2.384 415 F HA 0.376 4.903 4.527 -0.000 0.000 0.338 415 F C 1.332 177.249 175.800 0.194 0.000 1.103 415 F CA 0.160 58.252 58.000 0.154 0.000 1.157 415 F CB 0.844 39.925 39.000 0.135 0.000 1.167 415 F HN 0.402 nan 8.300 nan 0.000 0.529 416 H N 2.988 122.081 119.070 0.040 0.000 2.637 416 H HA 0.624 5.180 4.556 -0.000 0.000 0.363 416 H C -1.928 173.492 175.328 0.153 0.000 1.131 416 H CA -1.131 55.006 56.048 0.148 0.000 1.183 416 H CB 1.711 31.575 29.762 0.168 0.000 1.637 416 H HN 0.559 nan 8.280 nan 0.000 0.531 417 L N 5.543 126.709 121.223 -0.096 0.000 2.325 417 L HA 0.339 4.679 4.340 0.000 0.000 0.281 417 L C -0.749 175.944 176.870 -0.295 0.000 1.004 417 L CA -0.290 54.553 54.840 0.005 0.000 0.823 417 L CB 0.770 43.011 42.059 0.304 0.000 1.236 417 L HN 0.790 nan 8.230 nan 0.000 0.415 418 H N 3.919 122.814 119.070 -0.291 0.000 2.707 418 H HA 0.265 4.821 4.556 -0.000 0.000 0.359 418 H C 1.018 176.038 175.328 -0.514 0.000 1.113 418 H CA 0.765 56.716 56.048 -0.163 0.000 1.422 418 H CB 1.015 30.909 29.762 0.220 0.000 1.443 418 H HN 0.960 nan 8.280 nan 0.000 0.591 419 G N 1.713 110.064 108.800 -0.748 0.000 2.212 419 G HA2 -0.231 3.729 3.960 0.000 0.000 0.266 419 G HA3 -0.231 3.729 3.960 0.000 0.000 0.266 419 G C 0.068 174.271 174.900 -1.162 0.000 0.978 419 G CA 0.328 44.436 45.100 -1.655 0.000 0.632 419 G HN 0.779 nan 8.290 nan 0.000 0.537 420 H N -0.693 118.163 119.070 -0.356 0.000 3.012 420 H HA 0.659 5.215 4.556 0.000 0.000 0.367 420 H C -0.206 175.132 175.328 0.016 0.000 1.211 420 H CA -0.066 55.790 56.048 -0.319 0.000 1.139 420 H CB 1.746 31.150 29.762 -0.597 0.000 1.838 420 H HN 0.651 nan 8.280 nan 0.000 0.550 421 A N 2.911 125.831 122.820 0.168 0.000 2.258 421 A HA 0.529 4.849 4.320 0.000 0.000 0.316 421 A C -0.422 177.128 177.584 -0.057 0.000 1.279 421 A CA -0.670 51.365 52.037 -0.002 0.000 0.876 421 A CB -0.537 18.546 19.000 0.140 0.000 1.170 421 A HN 0.469 nan 8.150 nan 0.000 0.520 422 F N 0.460 120.433 119.950 0.038 0.000 2.380 422 F HA 0.614 5.141 4.527 -0.000 0.000 0.321 422 F C 0.374 176.201 175.800 0.045 0.000 1.103 422 F CA -1.042 56.986 58.000 0.048 0.000 1.067 422 F CB 0.807 39.806 39.000 -0.002 0.000 1.265 422 F HN 0.506 nan 8.300 nan 0.000 0.517 423 Q N 0.856 120.866 119.800 0.351 0.000 2.274 423 Q HA 0.279 4.619 4.340 0.000 0.000 0.256 423 Q C -0.846 175.264 176.000 0.183 0.000 0.927 423 Q CA -0.489 55.412 55.803 0.163 0.000 0.939 423 Q CB 1.455 30.220 28.738 0.044 0.000 1.201 423 Q HN 0.662 nan 8.270 nan 0.000 0.426 424 T N 3.671 118.296 114.554 0.119 0.000 2.762 424 T HA 0.246 4.596 4.350 0.000 0.000 0.303 424 T C 1.194 175.936 174.700 0.070 0.000 0.977 424 T CA -0.227 61.932 62.100 0.100 0.000 0.961 424 T CB -0.017 68.933 68.868 0.138 0.000 0.944 424 T HN 0.561 nan 8.240 nan 0.000 0.481 425 I N 0.554 121.154 120.570 0.049 0.000 3.708 425 I HA 0.390 4.560 4.170 0.000 0.000 0.302 425 I C 0.602 176.934 176.117 0.358 0.000 1.255 425 I CA -0.132 61.198 61.300 0.049 0.000 1.362 425 I CB 0.399 38.155 38.000 -0.406 0.000 1.100 425 I HN 0.393 nan 8.210 nan 0.000 0.434 426 Q N 1.933 121.884 119.800 0.252 0.000 2.320 426 Q HA 0.454 4.794 4.340 0.000 0.000 0.272 426 Q C -1.326 174.726 176.000 0.086 0.000 1.023 426 Q CA -0.776 55.142 55.803 0.192 0.000 0.855 426 Q CB 2.389 31.291 28.738 0.273 0.000 1.367 426 Q HN 0.277 nan 8.270 nan 0.000 0.406 427 R N 3.673 124.090 120.500 -0.138 0.000 2.713 427 R HA 0.195 4.535 4.340 0.000 0.000 0.282 427 R C -1.364 174.902 176.300 -0.057 0.000 1.472 427 R CA -0.319 55.777 56.100 -0.008 0.000 1.060 427 R CB 1.007 31.285 30.300 -0.037 0.000 1.237 427 R HN 0.797 nan 8.270 nan 0.000 0.484 428 D N 2.523 122.982 120.400 0.098 0.000 2.361 428 D HA 0.033 4.673 4.640 0.000 0.000 0.239 428 D C 0.269 176.603 176.300 0.057 0.000 1.200 428 D CA 0.068 54.132 54.000 0.106 0.000 0.915 428 D CB 0.891 41.853 40.800 0.271 0.000 1.170 428 D HN 0.507 nan 8.370 nan 0.000 0.444 429 R N -0.389 120.069 120.500 -0.070 0.000 2.822 429 R HA 0.222 4.562 4.340 0.000 0.000 0.277 429 R C -0.069 176.063 176.300 -0.280 0.000 1.102 429 R CA -0.443 55.548 56.100 -0.182 0.000 1.207 429 R CB -0.340 29.794 30.300 -0.276 0.000 1.139 429 R HN 0.133 nan 8.270 nan 0.000 0.557 430 T N 1.487 115.922 114.554 -0.199 0.000 2.888 430 T HA 0.054 4.404 4.350 0.000 0.000 0.301 430 T C -0.820 173.679 174.700 -0.336 0.000 1.001 430 T CA 0.326 62.353 62.100 -0.122 0.000 1.147 430 T CB -0.062 68.794 68.868 -0.018 0.000 0.931 430 T HN 0.363 nan 8.240 nan 0.000 0.541 431 Y N 1.804 122.128 120.300 0.040 0.000 2.587 431 Y HA 0.256 4.806 4.550 -0.000 0.000 0.328 431 Y C 0.474 176.413 175.900 0.065 0.000 0.980 431 Y CA -1.185 56.927 58.100 0.021 0.000 1.272 431 Y CB 0.631 39.096 38.460 0.008 0.000 1.094 431 Y HN 0.534 nan 8.280 nan 0.000 0.503 432 D N 3.156 123.641 120.400 0.141 0.000 2.325 432 D HA -0.041 4.599 4.640 0.000 0.000 0.251 432 D C 0.878 177.252 176.300 0.123 0.000 1.196 432 D CA -0.028 54.040 54.000 0.113 0.000 0.866 432 D CB 0.797 41.639 40.800 0.069 0.000 1.101 432 D HN 0.688 nan 8.370 nan 0.000 0.476 433 D N 3.024 123.497 120.400 0.121 0.000 2.317 433 D HA -0.124 4.516 4.640 0.000 0.000 0.211 433 D C 1.385 177.735 176.300 0.082 0.000 0.966 433 D CA 0.407 54.471 54.000 0.107 0.000 0.876 433 D CB -0.046 40.816 40.800 0.105 0.000 0.927 433 D HN 0.321 nan 8.370 nan 0.000 0.519 434 A N 0.590 123.455 122.820 0.074 0.000 2.015 434 A HA 0.025 4.345 4.320 0.000 0.000 0.219 434 A C 2.283 179.900 177.584 0.054 0.000 1.163 434 A CA 0.558 52.631 52.037 0.059 0.000 0.646 434 A CB -0.652 18.380 19.000 0.053 0.000 0.806 434 A HN 0.281 nan 8.150 nan 0.000 0.448 435 L N -1.317 119.943 121.223 0.061 0.000 2.591 435 L HA 0.246 4.586 4.340 0.000 0.000 0.228 435 L C 1.543 178.453 176.870 0.066 0.000 1.133 435 L CA 0.798 55.672 54.840 0.057 0.000 0.880 435 L CB 0.260 42.351 42.059 0.054 0.000 1.033 435 L HN 0.560 nan 8.230 nan 0.000 0.450 436 G N -0.521 108.323 108.800 0.073 0.000 2.157 436 G HA2 -0.238 3.722 3.960 0.000 0.000 0.239 436 G HA3 -0.238 3.722 3.960 0.000 0.000 0.239 436 G C 0.105 175.062 174.900 0.095 0.000 0.982 436 G CA -0.307 44.837 45.100 0.074 0.000 0.650 436 G HN 0.397 nan 8.290 nan 0.000 0.527 437 E N 0.049 120.325 120.200 0.127 0.000 2.343 437 E HA 0.506 4.856 4.350 0.000 0.000 0.269 437 E C 0.912 177.617 176.600 0.174 0.000 1.047 437 E CA -0.091 56.418 56.400 0.183 0.000 0.874 437 E CB 1.912 31.765 29.700 0.257 0.000 1.033 437 E HN 0.686 nan 8.360 nan 0.000 0.409 438 V N -0.082 119.933 119.914 0.168 0.000 3.096 438 V HA 0.541 4.661 4.120 0.000 0.000 0.319 438 V C -2.487 173.683 176.094 0.127 0.000 1.082 438 V CA -2.738 59.624 62.300 0.104 0.000 1.022 438 V CB 0.845 32.681 31.823 0.021 0.000 1.103 438 V HN 0.489 nan 8.190 nan 0.000 0.455 439 P HA 0.310 nan 4.420 nan 0.000 0.268 439 P C -1.242 176.023 177.300 -0.058 0.000 1.205 439 P CA 0.473 63.607 63.100 0.057 0.000 0.771 439 P CB -0.002 31.729 31.700 0.052 0.000 0.858 440 H N -0.298 118.580 119.070 -0.320 0.000 2.589 440 H HA 0.394 4.950 4.556 -0.000 0.000 0.335 440 H C -0.014 175.250 175.328 -0.106 0.000 1.019 440 H CA -0.232 55.621 56.048 -0.324 0.000 1.213 440 H CB 0.879 30.219 29.762 -0.703 0.000 1.472 440 H HN 0.247 nan 8.280 nan 0.000 0.508 441 S N 2.312 118.031 115.700 0.031 0.000 2.632 441 S HA 0.183 4.653 4.470 0.000 0.000 0.267 441 S C -0.097 174.599 174.600 0.159 0.000 1.276 441 S CA -0.836 57.418 58.200 0.091 0.000 0.998 441 S CB 0.797 64.027 63.200 0.051 0.000 0.953 441 S HN 0.507 nan 8.310 nan 0.000 0.547 442 F N 2.326 122.315 119.950 0.065 0.000 2.538 442 F HA 0.247 4.774 4.527 0.000 0.000 0.371 442 F C 0.157 176.010 175.800 0.089 0.000 1.087 442 F CA -0.359 57.697 58.000 0.093 0.000 1.250 442 F CB 0.305 39.354 39.000 0.081 0.000 1.110 442 F HN 0.436 nan 8.300 nan 0.000 0.570 443 D N 8.684 128.708 120.400 -0.628 0.000 2.440 443 D HA 0.296 4.936 4.640 0.000 0.000 0.239 443 D C -1.906 173.913 176.300 -0.802 0.000 1.084 443 D CA -2.455 51.232 54.000 -0.523 0.000 0.843 443 D CB 1.924 42.589 40.800 -0.225 0.000 1.097 443 D HN 0.262 nan 8.370 nan 0.000 0.531 444 P HA -0.061 nan 4.420 nan 0.000 0.222 444 P C 0.286 177.574 177.300 -0.020 0.000 1.147 444 P CA 0.736 63.694 63.100 -0.236 0.000 0.790 444 P CB 0.680 32.398 31.700 0.029 0.000 0.780 445 D N -1.166 119.167 120.400 -0.111 0.000 2.333 445 D HA 0.015 4.655 4.640 0.000 0.000 0.208 445 D C 0.361 176.556 176.300 -0.175 0.000 0.984 445 D CA 0.804 54.742 54.000 -0.105 0.000 0.873 445 D CB -0.236 40.516 40.800 -0.080 0.000 0.935 445 D HN 0.142 nan 8.370 nan 0.000 0.521 446 N N -0.026 118.556 118.700 -0.197 0.000 2.594 446 N HA 0.237 4.977 4.740 0.000 0.000 0.280 446 N C -1.796 173.633 175.510 -0.136 0.000 1.156 446 N CA -0.542 52.390 53.050 -0.198 0.000 0.831 446 N CB 0.561 38.980 38.487 -0.113 0.000 1.379 446 N HN 0.029 nan 8.380 nan 0.000 0.536 447 H N 0.301 119.296 119.070 -0.125 0.000 3.064 447 H HA 0.612 5.168 4.556 0.000 0.000 0.352 447 H C -2.898 172.368 175.328 -0.102 0.000 1.260 447 H CA -1.591 54.412 56.048 -0.075 0.000 1.160 447 H CB -0.404 29.343 29.762 -0.025 0.000 1.879 447 H HN 0.154 nan 8.280 nan 0.000 0.544 448 P HA 0.288 nan 4.420 nan 0.000 0.269 448 P C -0.322 177.006 177.300 0.047 0.000 1.217 448 P CA -0.014 63.123 63.100 0.063 0.000 0.783 448 P CB 0.315 32.077 31.700 0.104 0.000 0.898 449 A N 2.403 125.218 122.820 -0.009 0.000 2.520 449 A HA 0.195 4.515 4.320 0.000 0.000 0.245 449 A C 0.089 177.701 177.584 0.048 0.000 1.072 449 A CA -0.178 51.836 52.037 -0.039 0.000 0.761 449 A CB -0.858 18.152 19.000 0.017 0.000 1.004 449 A HN 0.444 nan 8.150 nan 0.000 0.499 450 F N 3.122 123.201 119.950 0.214 0.000 2.545 450 F HA 0.259 4.786 4.527 0.000 0.000 0.348 450 F C -1.079 174.788 175.800 0.112 0.000 1.163 450 F CA -1.194 56.900 58.000 0.155 0.000 1.331 450 F CB 0.222 39.274 39.000 0.087 0.000 1.138 450 F HN 0.447 nan 8.300 nan 0.000 0.602 451 P HA 0.050 nan 4.420 nan 0.000 0.272 451 P C -0.124 177.202 177.300 0.044 0.000 1.223 451 P CA -0.118 63.057 63.100 0.125 0.000 0.784 451 P CB 0.811 32.502 31.700 -0.016 0.000 0.923 452 E N 0.658 120.860 120.200 0.003 0.000 2.072 452 E HA -0.136 4.214 4.350 0.000 0.000 0.191 452 E C -0.135 176.187 176.600 -0.463 0.000 0.985 452 E CA 1.420 57.709 56.400 -0.186 0.000 0.801 452 E CB -0.151 29.489 29.700 -0.100 0.000 0.750 452 E HN 0.531 nan 8.360 nan 0.000 0.452 453 Y N 0.547 120.815 120.300 -0.053 0.000 2.749 453 Y HA 0.278 4.828 4.550 -0.000 0.000 0.343 453 Y C -2.326 173.496 175.900 -0.130 0.000 1.015 453 Y CA -2.635 55.410 58.100 -0.093 0.000 1.270 453 Y CB 0.998 39.413 38.460 -0.075 0.000 1.097 453 Y HN -0.026 nan 8.280 nan 0.000 0.571 454 P HA 0.014 nan 4.420 nan 0.000 0.272 454 P C 0.301 177.510 177.300 -0.150 0.000 1.223 454 P CA -0.408 62.592 63.100 -0.167 0.000 0.784 454 P CB 0.743 32.348 31.700 -0.158 0.000 0.923 455 M N 2.695 122.152 119.600 -0.238 0.000 2.250 455 M HA 0.111 4.591 4.480 0.000 0.000 0.325 455 M C -0.439 175.795 176.300 -0.110 0.000 1.084 455 M CA 0.762 55.961 55.300 -0.168 0.000 1.161 455 M CB -0.084 32.386 32.600 -0.216 0.000 1.481 455 M HN 0.339 nan 8.290 nan 0.000 0.449 456 R N 2.842 123.283 120.500 -0.099 0.000 2.628 456 R HA 0.635 4.975 4.340 0.000 0.000 0.288 456 R C -0.984 175.192 176.300 -0.207 0.000 0.980 456 R CA -0.626 55.400 56.100 -0.123 0.000 0.891 456 R CB 2.165 32.429 30.300 -0.060 0.000 1.188 456 R HN 0.878 nan 8.270 nan 0.000 0.450 457 R N -0.178 120.066 120.500 -0.427 0.000 2.826 457 R HA 0.253 4.593 4.340 0.000 0.000 0.269 457 R C -1.007 174.799 176.300 -0.823 0.000 1.031 457 R CA -0.715 55.114 56.100 -0.451 0.000 0.900 457 R CB 0.397 30.519 30.300 -0.297 0.000 1.318 457 R HN 0.555 nan 8.270 nan 0.000 0.447 458 D N -1.027 119.134 120.400 -0.398 0.000 2.417 458 D HA 0.146 4.786 4.640 0.000 0.000 0.207 458 D C -0.465 176.004 176.300 0.282 0.000 1.075 458 D CA 0.166 54.070 54.000 -0.160 0.000 0.851 458 D CB 0.840 41.710 40.800 0.117 0.000 0.976 458 D HN 0.430 nan 8.370 nan 0.000 0.505 459 T N 0.393 115.080 114.554 0.222 0.000 2.928 459 T HA 0.563 4.913 4.350 0.000 0.000 0.296 459 T C -1.520 173.387 174.700 0.345 0.000 1.000 459 T CA -0.649 61.688 62.100 0.395 0.000 0.989 459 T CB 2.008 71.035 68.868 0.265 0.000 1.005 459 T HN 0.094 nan 8.240 nan 0.000 0.442 460 L N 3.820 125.298 121.223 0.426 0.000 2.455 460 L HA 0.690 5.030 4.340 0.000 0.000 0.264 460 L C -1.486 175.612 176.870 0.381 0.000 0.968 460 L CA -0.884 54.114 54.840 0.264 0.000 0.827 460 L CB 1.522 43.629 42.059 0.081 0.000 1.317 460 L HN 0.733 nan 8.230 nan 0.000 0.407 461 Y N 3.321 123.846 120.300 0.375 0.000 2.334 461 Y HA 0.771 5.321 4.550 -0.000 0.000 0.328 461 Y C -0.574 175.687 175.900 0.601 0.000 1.130 461 Y CA -1.391 56.989 58.100 0.467 0.000 1.163 461 Y CB 0.654 39.329 38.460 0.360 0.000 1.207 461 Y HN 0.314 nan 8.280 nan 0.000 0.471 462 V N 4.020 124.455 119.914 0.868 0.000 2.607 462 V HA 0.454 4.574 4.120 0.000 0.000 0.289 462 V C 0.383 176.843 176.094 0.611 0.000 1.053 462 V CA -1.210 61.505 62.300 0.691 0.000 0.996 462 V CB 0.703 32.841 31.823 0.525 0.000 0.995 462 V HN 0.851 nan 8.190 nan 0.000 0.476 463 R N 3.059 123.852 120.500 0.489 0.000 2.577 463 R HA 0.332 4.672 4.340 0.000 0.000 0.269 463 R C -2.496 173.996 176.300 0.320 0.000 1.084 463 R CA -1.735 54.594 56.100 0.383 0.000 1.163 463 R CB 0.204 30.683 30.300 0.299 0.000 1.100 463 R HN 0.442 nan 8.270 nan 0.000 0.547 464 P HA -0.124 nan 4.420 nan 0.000 0.260 464 P C -0.709 176.760 177.300 0.282 0.000 1.172 464 P CA 0.870 64.111 63.100 0.236 0.000 0.760 464 P CB 0.294 32.097 31.700 0.172 0.000 0.773 465 Q N -1.117 118.850 119.800 0.279 0.000 2.461 465 Q HA -0.242 4.098 4.340 0.000 0.000 0.264 465 Q C 0.416 176.604 176.000 0.312 0.000 1.085 465 Q CA 0.910 56.871 55.803 0.264 0.000 1.006 465 Q CB -1.489 27.395 28.738 0.243 0.000 1.437 465 Q HN 0.477 nan 8.270 nan 0.000 0.514 466 S N -0.472 115.435 115.700 0.344 0.000 2.694 466 S HA 0.695 5.165 4.470 0.000 0.000 0.286 466 S C -0.544 174.209 174.600 0.255 0.000 1.080 466 S CA -0.003 58.433 58.200 0.393 0.000 0.953 466 S CB 0.984 64.431 63.200 0.411 0.000 1.313 466 S HN 0.509 nan 8.310 nan 0.000 0.555 467 N N -0.658 118.193 118.700 0.252 0.000 2.494 467 N HA 0.600 5.340 4.740 0.000 0.000 0.270 467 N C -1.152 174.473 175.510 0.192 0.000 1.285 467 N CA -0.886 52.253 53.050 0.147 0.000 0.812 467 N CB 1.056 39.660 38.487 0.196 0.000 1.557 467 N HN 0.629 nan 8.380 nan 0.000 0.487 468 F N -2.197 117.799 119.950 0.076 0.000 2.662 468 F HA 0.893 5.420 4.527 -0.000 0.000 0.312 468 F C -1.908 173.797 175.800 -0.158 0.000 1.113 468 F CA -1.305 56.691 58.000 -0.008 0.000 0.951 468 F CB 1.504 40.522 39.000 0.030 0.000 1.344 468 F HN 0.281 nan 8.300 nan 0.000 0.462 469 V N 3.310 123.340 119.914 0.193 0.000 2.577 469 V HA 0.538 4.658 4.120 0.000 0.000 0.303 469 V C -0.333 175.686 176.094 -0.125 0.000 1.042 469 V CA -0.668 61.545 62.300 -0.144 0.000 0.872 469 V CB 1.655 33.095 31.823 -0.637 0.000 0.998 469 V HN 0.826 nan 8.190 nan 0.000 0.423 470 I N 1.995 122.470 120.570 -0.159 0.000 2.646 470 I HA 0.824 4.994 4.170 0.000 0.000 0.299 470 I C -0.514 175.520 176.117 -0.138 0.000 1.036 470 I CA -0.865 60.320 61.300 -0.192 0.000 1.074 470 I CB 2.295 40.004 38.000 -0.484 0.000 1.258 470 I HN 0.450 nan 8.210 nan 0.000 0.430 471 R N 4.088 124.584 120.500 -0.008 0.000 2.686 471 R HA 0.762 5.102 4.340 0.000 0.000 0.283 471 R C -1.655 174.788 176.300 0.237 0.000 0.978 471 R CA -0.680 55.424 56.100 0.006 0.000 0.897 471 R CB 2.580 32.866 30.300 -0.023 0.000 1.192 471 R HN 0.788 nan 8.270 nan 0.000 0.457 472 F N -1.211 118.655 119.950 -0.140 0.000 2.668 472 F HA 0.515 5.042 4.527 -0.000 0.000 0.309 472 F C -1.290 174.198 175.800 -0.519 0.000 1.117 472 F CA -1.298 56.557 58.000 -0.243 0.000 0.951 472 F CB 1.452 40.291 39.000 -0.269 0.000 1.323 472 F HN 0.164 nan 8.300 nan 0.000 0.451 473 K N 1.790 121.859 120.400 -0.551 0.000 2.201 473 K HA 0.719 5.039 4.320 0.000 0.000 0.278 473 K C -0.377 176.078 176.600 -0.243 0.000 1.027 473 K CA -0.634 55.325 56.287 -0.546 0.000 0.909 473 K CB 1.545 33.722 32.500 -0.538 0.000 1.062 473 K HN 0.940 nan 8.250 nan 0.000 0.465 474 A N 4.629 127.301 122.820 -0.247 0.000 2.981 474 A HA 0.056 4.376 4.320 0.000 0.000 0.280 474 A C -0.116 177.507 177.584 0.064 0.000 1.743 474 A CA -0.213 51.823 52.037 -0.002 0.000 1.430 474 A CB -0.434 18.539 19.000 -0.044 0.000 1.085 474 A HN 0.823 nan 8.150 nan 0.000 0.597 475 D N -0.046 120.429 120.400 0.126 0.000 2.501 475 D HA 0.044 4.684 4.640 0.000 0.000 0.224 475 D C -0.212 176.118 176.300 0.051 0.000 1.202 475 D CA -0.203 53.831 54.000 0.056 0.000 0.829 475 D CB -0.034 40.766 40.800 -0.001 0.000 1.023 475 D HN 0.278 nan 8.370 nan 0.000 0.499 476 N N 1.270 120.059 118.700 0.148 0.000 2.750 476 N HA 0.266 5.006 4.740 0.000 0.000 0.253 476 N C -2.943 172.749 175.510 0.303 0.000 1.408 476 N CA -1.731 51.379 53.050 0.100 0.000 0.780 476 N CB 1.186 39.561 38.487 -0.187 0.000 1.191 476 N HN -0.220 nan 8.380 nan 0.000 0.511 477 P HA 0.175 nan 4.420 nan 0.000 0.257 477 P C 0.180 177.519 177.300 0.064 0.000 1.162 477 P CA 0.655 63.826 63.100 0.118 0.000 0.762 477 P CB 0.486 32.224 31.700 0.064 0.000 0.753 478 G N 1.099 109.799 108.800 -0.167 0.000 2.320 478 G HA2 0.360 4.320 3.960 0.000 0.000 0.296 478 G HA3 0.360 4.320 3.960 0.000 0.000 0.296 478 G C -1.930 172.338 174.900 -1.053 0.000 1.306 478 G CA -0.552 44.096 45.100 -0.753 0.000 0.836 478 G HN 0.267 nan 8.290 nan 0.000 0.517 479 V N 0.524 119.653 119.914 -1.308 0.000 2.350 479 V HA 0.608 4.728 4.120 0.000 0.000 0.285 479 V C -1.128 174.490 176.094 -0.794 0.000 1.014 479 V CA -0.261 61.541 62.300 -0.831 0.000 0.831 479 V CB 0.791 32.314 31.823 -0.500 0.000 1.000 479 V HN 0.602 nan 8.190 nan 0.000 0.433 480 W N 4.332 125.627 121.300 -0.008 0.000 2.656 480 W HA 0.592 5.252 4.660 0.000 0.000 0.327 480 W C -0.463 176.103 176.519 0.079 0.000 1.041 480 W CA -0.878 56.487 57.345 0.034 0.000 1.229 480 W CB 1.573 31.103 29.460 0.117 0.000 1.397 480 W HN 0.372 nan 8.180 nan 0.000 0.479 481 F N 4.157 124.053 119.950 -0.091 0.000 2.427 481 F HA 0.353 4.880 4.527 0.000 0.000 0.352 481 F C -0.699 175.242 175.800 0.235 0.000 1.100 481 F CA -1.916 56.011 58.000 -0.121 0.000 1.191 481 F CB 0.196 38.870 39.000 -0.544 0.000 1.128 481 F HN 0.173 nan 8.300 nan 0.000 0.533 482 F N 7.433 127.436 119.950 0.089 0.000 2.403 482 F HA 0.466 4.993 4.527 -0.000 0.000 0.355 482 F C -1.037 174.751 175.800 -0.020 0.000 1.119 482 F CA -0.343 57.654 58.000 -0.006 0.000 1.007 482 F CB 0.274 39.251 39.000 -0.038 0.000 1.194 482 F HN 0.677 nan 8.300 nan 0.000 0.443 483 H N 2.127 120.857 119.070 -0.567 0.000 2.981 483 H HA 0.424 4.980 4.556 0.000 0.000 0.327 483 H C -1.463 173.853 175.328 -0.020 0.000 1.342 483 H CA -1.422 54.455 56.048 -0.284 0.000 1.123 483 H CB 0.696 30.032 29.762 -0.709 0.000 1.851 483 H HN 0.660 nan 8.280 nan 0.000 0.531 484 C N 1.854 121.175 119.300 0.034 0.000 2.593 484 C HA 0.105 4.565 4.460 0.000 0.000 0.409 484 C C 1.338 176.397 174.990 0.114 0.000 1.304 484 C CA -0.056 58.806 59.018 -0.260 0.000 2.007 484 C CB -0.799 26.743 27.740 -0.330 0.000 2.614 484 C HN 0.999 nan 8.230 nan 0.000 0.585 485 H N 3.849 122.934 119.070 0.024 0.000 2.539 485 H HA 0.272 4.828 4.556 -0.000 0.000 0.269 485 H C 0.499 175.900 175.328 0.120 0.000 0.980 485 H CA 0.329 56.481 56.048 0.173 0.000 1.152 485 H CB 0.102 29.963 29.762 0.164 0.000 1.407 485 H HN 0.645 nan 8.280 nan 0.000 0.564 486 I N 2.270 122.940 120.570 0.167 0.000 2.494 486 I HA -0.093 4.077 4.170 0.000 0.000 0.289 486 I C 1.542 177.588 176.117 -0.117 0.000 1.106 486 I CA 0.006 61.339 61.300 0.055 0.000 1.369 486 I CB 0.888 38.888 38.000 0.001 0.000 1.410 486 I HN 0.096 nan 8.210 nan 0.000 0.523 487 E N 4.881 124.880 120.200 -0.336 0.000 2.097 487 E HA -0.235 4.115 4.350 0.000 0.000 0.196 487 E C 1.784 178.065 176.600 -0.531 0.000 1.000 487 E CA 1.914 57.979 56.400 -0.558 0.000 0.804 487 E CB -0.041 29.093 29.700 -0.944 0.000 0.740 487 E HN 0.726 nan 8.360 nan 0.000 0.454 488 W N 0.168 121.235 121.300 -0.388 0.000 2.363 488 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 488 W C 2.315 178.808 176.519 -0.042 0.000 1.212 488 W CA 1.003 58.031 57.345 -0.529 0.000 1.260 488 W CB -0.656 28.200 29.460 -1.007 0.000 1.131 488 W HN 0.318 nan 8.180 nan 0.000 0.530 489 H N -0.727 118.460 119.070 0.195 0.000 2.428 489 H HA -0.098 4.458 4.556 -0.000 0.000 0.296 489 H C 2.089 177.502 175.328 0.142 0.000 1.062 489 H CA 0.868 57.039 56.048 0.205 0.000 1.350 489 H CB -0.172 29.705 29.762 0.193 0.000 1.403 489 H HN 0.016 nan 8.280 nan 0.000 0.533 490 L N 0.962 122.300 121.223 0.192 0.000 2.093 490 L HA -0.124 4.216 4.340 0.000 0.000 0.208 490 L C 1.856 178.827 176.870 0.167 0.000 1.085 490 L CA 1.321 56.238 54.840 0.128 0.000 0.755 490 L CB -0.450 41.613 42.059 0.007 0.000 0.904 490 L HN 0.249 nan 8.230 nan 0.000 0.435 491 L N -1.115 120.210 121.223 0.170 0.000 2.141 491 L HA -0.197 4.143 4.340 0.000 0.000 0.209 491 L C 2.391 179.443 176.870 0.303 0.000 1.094 491 L CA 1.024 56.007 54.840 0.238 0.000 0.763 491 L CB -0.481 41.742 42.059 0.273 0.000 0.908 491 L HN 0.373 nan 8.230 nan 0.000 0.437 492 Q N -0.093 119.910 119.800 0.339 0.000 2.488 492 Q HA 0.007 4.347 4.340 0.000 0.000 0.211 492 Q C 1.171 177.303 176.000 0.221 0.000 0.967 492 Q CA 0.616 56.575 55.803 0.260 0.000 0.926 492 Q CB 0.220 29.116 28.738 0.264 0.000 0.992 492 Q HN 0.620 nan 8.270 nan 0.000 0.506 493 G N 1.093 110.030 108.800 0.228 0.000 2.140 493 G HA2 -0.241 3.719 3.960 0.000 0.000 0.211 493 G HA3 -0.241 3.719 3.960 0.000 0.000 0.211 493 G C -0.110 174.899 174.900 0.182 0.000 1.013 493 G CA -0.381 44.864 45.100 0.241 0.000 0.705 493 G HN 0.355 nan 8.290 nan 0.000 0.508 494 L N 1.222 122.507 121.223 0.103 0.000 2.391 494 L HA 0.522 4.862 4.340 0.000 0.000 0.249 494 L C 0.913 177.838 176.870 0.092 0.000 1.308 494 L CA 0.635 55.426 54.840 -0.081 0.000 1.209 494 L CB -0.433 41.554 42.059 -0.119 0.000 1.401 494 L HN 0.406 nan 8.230 nan 0.000 0.416 495 G N 2.773 111.794 108.800 0.368 0.000 2.720 495 G HA2 0.584 4.544 3.960 0.000 0.000 0.295 495 G HA3 0.584 4.544 3.960 0.000 0.000 0.295 495 G C -1.714 173.622 174.900 0.727 0.000 1.437 495 G CA -0.565 44.790 45.100 0.425 0.000 0.886 495 G HN 0.257 nan 8.290 nan 0.000 0.509 496 L N -1.285 120.263 121.223 0.542 0.000 2.415 496 L HA 0.940 5.280 4.340 0.000 0.000 0.256 496 L C -0.949 176.231 176.870 0.516 0.000 1.010 496 L CA -1.363 53.771 54.840 0.491 0.000 0.826 496 L CB 1.865 43.983 42.059 0.099 0.000 1.405 496 L HN 0.381 nan 8.230 nan 0.000 0.410 497 V N 2.379 122.548 119.914 0.424 0.000 2.417 497 V HA 0.525 4.645 4.120 0.000 0.000 0.291 497 V C -0.198 176.029 176.094 0.223 0.000 1.024 497 V CA -0.389 62.093 62.300 0.303 0.000 0.861 497 V CB 1.470 33.404 31.823 0.184 0.000 0.985 497 V HN 0.634 nan 8.190 nan 0.000 0.436 498 L N 5.326 126.667 121.223 0.196 0.000 2.287 498 L HA 0.581 4.921 4.340 0.000 0.000 0.287 498 L C -0.584 176.290 176.870 0.006 0.000 1.022 498 L CA -0.742 54.192 54.840 0.156 0.000 0.814 498 L CB 1.849 44.057 42.059 0.249 0.000 1.217 498 L HN 0.356 nan 8.230 nan 0.000 0.420 499 V N 3.134 123.000 119.914 -0.080 0.000 2.311 499 V HA 0.219 4.339 4.120 0.000 0.000 0.275 499 V C 0.184 176.222 176.094 -0.094 0.000 1.022 499 V CA -0.640 61.534 62.300 -0.210 0.000 0.830 499 V CB 1.096 32.673 31.823 -0.409 0.000 1.012 499 V HN 0.699 nan 8.190 nan 0.000 0.452 500 E N 4.081 124.248 120.200 -0.056 0.000 2.229 500 E HA 0.127 4.477 4.350 0.000 0.000 0.283 500 E C -0.039 176.564 176.600 0.006 0.000 1.030 500 E CA -0.442 55.994 56.400 0.060 0.000 0.836 500 E CB 0.791 30.640 29.700 0.249 0.000 1.068 500 E HN 0.912 nan 8.360 nan 0.000 0.401 501 D N 5.707 126.125 120.400 0.031 0.000 8.267 501 D HA -0.170 4.470 4.640 0.000 0.000 0.138 501 D C -1.558 174.720 176.300 -0.037 0.000 1.262 501 D CA -0.408 53.609 54.000 0.029 0.000 0.885 501 D CB 0.121 40.984 40.800 0.105 0.000 1.723 501 D HN 0.228 nan 8.370 nan 0.000 0.984 502 P HA -0.217 nan 4.420 nan 0.000 0.218 502 P C 1.520 178.689 177.300 -0.218 0.000 1.146 502 P CA 1.151 64.102 63.100 -0.248 0.000 0.820 502 P CB -0.189 31.299 31.700 -0.354 0.000 0.778 503 F N 0.146 120.115 119.950 0.033 0.000 2.206 503 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 503 F C 2.781 178.595 175.800 0.024 0.000 1.090 503 F CA 1.041 59.058 58.000 0.029 0.000 1.323 503 F CB -1.368 37.650 39.000 0.030 0.000 1.028 503 F HN -0.040 nan 8.300 nan 0.000 0.492 504 G N 0.676 109.590 108.800 0.190 0.000 2.422 504 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 504 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 504 G C 1.684 176.627 174.900 0.073 0.000 1.146 504 G CA 0.941 46.111 45.100 0.117 0.000 0.769 504 G HN 0.323 nan 8.290 nan 0.000 0.547 505 I N 0.125 120.714 120.570 0.031 0.000 2.127 505 I HA -0.246 3.924 4.170 0.000 0.000 0.241 505 I C 3.036 179.163 176.117 0.016 0.000 1.075 505 I CA 1.395 62.690 61.300 -0.008 0.000 1.334 505 I CB -0.336 37.620 38.000 -0.075 0.000 1.040 505 I HN 0.223 nan 8.210 nan 0.000 0.405 506 Q N 0.319 120.143 119.800 0.041 0.000 2.124 506 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 506 Q C 1.757 177.803 176.000 0.077 0.000 0.977 506 Q CA 1.474 57.314 55.803 0.061 0.000 0.850 506 Q CB -0.069 28.733 28.738 0.106 0.000 0.901 506 Q HN 0.489 nan 8.270 nan 0.000 0.429 507 D N 0.495 120.954 120.400 0.098 0.000 2.183 507 D HA -0.012 4.628 4.640 0.000 0.000 0.203 507 D C 0.194 176.548 176.300 0.090 0.000 0.969 507 D CA 0.533 54.589 54.000 0.093 0.000 0.842 507 D CB -0.041 40.817 40.800 0.096 0.000 0.957 507 D HN 0.150 nan 8.370 nan 0.000 0.484 508 A N 1.034 123.904 122.820 0.083 0.000 2.409 508 A HA 0.020 4.340 4.320 0.000 0.000 0.267 508 A C 1.225 178.870 177.584 0.101 0.000 1.127 508 A CA -0.186 51.908 52.037 0.094 0.000 0.795 508 A CB 0.198 19.245 19.000 0.078 0.000 1.061 508 A HN 0.247 nan 8.150 nan 0.000 0.502 509 H N 3.182 122.276 119.070 0.041 0.000 2.357 509 H HA -0.134 4.422 4.556 -0.000 0.000 0.301 509 H C 1.982 177.333 175.328 0.039 0.000 1.082 509 H CA 2.249 58.319 56.048 0.037 0.000 1.342 509 H CB 0.013 29.795 29.762 0.034 0.000 1.389 509 H HN 0.780 nan 8.280 nan 0.000 0.511 510 S N 0.012 115.773 115.700 0.101 0.000 2.493 510 S HA -0.165 4.305 4.470 0.000 0.000 0.243 510 S C 1.962 176.555 174.600 -0.011 0.000 0.991 510 S CA 1.401 59.634 58.200 0.054 0.000 0.957 510 S CB -0.176 63.097 63.200 0.122 0.000 0.756 510 S HN 0.344 nan 8.310 nan 0.000 0.521 511 Q N 0.686 120.468 119.800 -0.031 0.000 2.354 511 Q HA 0.217 4.557 4.340 0.000 0.000 0.203 511 Q C 0.371 176.334 176.000 -0.063 0.000 0.933 511 Q CA 0.376 56.160 55.803 -0.031 0.000 0.901 511 Q CB 0.000 28.727 28.738 -0.019 0.000 1.007 511 Q HN 0.504 nan 8.270 nan 0.000 0.495 512 Q N 0.630 120.360 119.800 -0.117 0.000 2.361 512 Q HA 0.051 4.391 4.340 0.000 0.000 0.276 512 Q C -0.388 175.572 176.000 -0.067 0.000 1.022 512 Q CA 0.280 56.016 55.803 -0.112 0.000 0.898 512 Q CB 0.331 28.956 28.738 -0.187 0.000 1.246 512 Q HN 0.321 nan 8.270 nan 0.000 0.410 513 L N 1.791 122.996 121.223 -0.031 0.000 2.410 513 L HA 0.078 4.418 4.340 0.000 0.000 0.273 513 L C 0.926 177.817 176.870 0.036 0.000 1.152 513 L CA -0.230 54.626 54.840 0.027 0.000 0.855 513 L CB 0.271 42.338 42.059 0.014 0.000 1.129 513 L HN 0.637 nan 8.230 nan 0.000 0.463 514 S N 1.534 117.284 115.700 0.083 0.000 2.614 514 S HA 0.147 4.617 4.470 0.000 0.000 0.265 514 S C 0.930 175.522 174.600 -0.013 0.000 1.303 514 S CA -0.858 57.340 58.200 -0.003 0.000 1.000 514 S CB 1.128 64.276 63.200 -0.086 0.000 0.935 514 S HN 0.602 nan 8.310 nan 0.000 0.551 515 E N 1.690 121.872 120.200 -0.030 0.000 2.058 515 E HA -0.253 4.097 4.350 0.000 0.000 0.194 515 E C 1.897 178.475 176.600 -0.037 0.000 0.997 515 E CA 1.232 57.619 56.400 -0.022 0.000 0.801 515 E CB -0.826 28.863 29.700 -0.017 0.000 0.746 515 E HN 0.830 nan 8.360 nan 0.000 0.450 516 N N 0.872 119.517 118.700 -0.091 0.000 2.037 516 N HA -0.235 4.505 4.740 0.000 0.000 0.196 516 N C 1.757 177.199 175.510 -0.114 0.000 1.034 516 N CA 1.443 54.416 53.050 -0.130 0.000 0.861 516 N CB -0.163 38.187 38.487 -0.229 0.000 1.039 516 N HN 0.257 nan 8.380 nan 0.000 0.427 517 H N 0.570 119.605 119.070 -0.057 0.000 2.321 517 H HA -0.029 4.527 4.556 0.000 0.000 0.300 517 H C 2.204 177.498 175.328 -0.057 0.000 1.087 517 H CA 0.627 56.629 56.048 -0.076 0.000 1.319 517 H CB -0.366 29.344 29.762 -0.087 0.000 1.379 517 H HN 0.209 nan 8.280 nan 0.000 0.501 518 L N 0.938 122.211 121.223 0.082 0.000 2.042 518 L HA -0.175 4.165 4.340 0.000 0.000 0.210 518 L C 2.515 179.398 176.870 0.021 0.000 1.076 518 L CA 1.561 56.422 54.840 0.035 0.000 0.749 518 L CB -1.039 41.033 42.059 0.021 0.000 0.893 518 L HN 0.262 nan 8.230 nan 0.000 0.432 519 E N -0.283 119.925 120.200 0.015 0.000 2.077 519 E HA -0.162 4.188 4.350 0.000 0.000 0.193 519 E C 2.202 178.811 176.600 0.015 0.000 0.989 519 E CA 1.132 57.538 56.400 0.010 0.000 0.800 519 E CB -0.073 29.628 29.700 0.001 0.000 0.746 519 E HN 0.221 nan 8.360 nan 0.000 0.452 520 V N -0.294 119.632 119.914 0.020 0.000 2.295 520 V HA -0.339 3.781 4.120 0.000 0.000 0.246 520 V C 2.548 178.647 176.094 0.010 0.000 1.049 520 V CA 1.766 64.079 62.300 0.022 0.000 1.024 520 V CB -0.561 31.282 31.823 0.033 0.000 0.648 520 V HN 0.494 nan 8.190 nan 0.000 0.447 521 c N -0.678 117.924 118.600 0.003 0.000 2.436 521 c HA -0.199 4.371 4.570 0.000 0.000 0.277 521 c C 2.906 177.001 174.090 0.008 0.000 1.241 521 c CA 1.264 57.588 56.329 -0.009 0.000 1.721 521 c CB -0.982 41.520 42.510 -0.014 0.000 2.043 521 c HN 0.596 nan 8.230 nan 0.000 0.472 522 Q N -0.413 119.394 119.800 0.013 0.000 2.096 522 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 522 Q C 2.387 178.400 176.000 0.021 0.000 0.982 522 Q CA 1.765 57.579 55.803 0.017 0.000 0.850 522 Q CB -0.313 28.434 28.738 0.015 0.000 0.901 522 Q HN 0.596 nan 8.270 nan 0.000 0.422 523 S N -0.823 114.889 115.700 0.021 0.000 2.481 523 S HA -0.102 4.368 4.470 0.000 0.000 0.231 523 S C 1.612 176.231 174.600 0.031 0.000 0.996 523 S CA 0.506 58.722 58.200 0.026 0.000 0.942 523 S CB -0.106 63.111 63.200 0.028 0.000 0.768 523 S HN 0.513 nan 8.310 nan 0.000 0.520 524 C N 2.405 121.722 119.300 0.028 0.000 2.791 524 C HA 0.334 4.794 4.460 0.000 0.000 0.270 524 C C 0.945 175.961 174.990 0.044 0.000 1.257 524 C CA 0.333 59.371 59.018 0.034 0.000 1.699 524 C CB -1.785 25.964 27.740 0.016 0.000 1.904 524 C HN 0.687 nan 8.230 nan 0.000 0.603 525 S N -0.120 115.603 115.700 0.038 0.000 3.477 525 S HA -0.153 4.317 4.470 0.000 0.000 0.371 525 S C -0.340 174.295 174.600 0.057 0.000 0.965 525 S CA 0.555 58.780 58.200 0.042 0.000 1.239 525 S CB -2.610 60.615 63.200 0.041 0.000 0.918 525 S HN 0.570 nan 8.310 nan 0.000 0.498 526 V N 0.759 120.705 119.914 0.054 0.000 2.495 526 V HA 0.820 4.940 4.120 0.000 0.000 0.298 526 V C 0.714 176.842 176.094 0.055 0.000 1.031 526 V CA -0.439 61.910 62.300 0.081 0.000 0.871 526 V CB 1.616 33.492 31.823 0.088 0.000 0.988 526 V HN 0.899 nan 8.190 nan 0.000 0.432 527 A N 2.832 125.692 122.820 0.066 0.000 2.366 527 A HA 0.543 4.863 4.320 0.000 0.000 0.249 527 A C 0.613 178.218 177.584 0.036 0.000 1.084 527 A CA 0.150 52.213 52.037 0.043 0.000 0.794 527 A CB 0.575 19.598 19.000 0.038 0.000 1.034 527 A HN 0.904 nan 8.150 nan 0.000 0.491 528 T N 0.664 115.230 114.554 0.020 0.000 3.390 528 T HA 0.417 4.767 4.350 0.000 0.000 0.351 528 T C 0.150 174.857 174.700 0.010 0.000 1.759 528 T CA -0.287 61.821 62.100 0.012 0.000 1.561 528 T CB -0.675 68.194 68.868 0.002 0.000 1.011 528 T HN 0.746 nan 8.240 nan 0.000 0.689 529 E N 1.575 121.783 120.200 0.014 0.000 3.868 529 E HA 0.586 4.936 4.350 0.000 0.000 0.331 529 E C 0.680 177.279 176.600 -0.002 0.000 0.699 529 E CA -0.781 55.622 56.400 0.005 0.000 1.672 529 E CB 0.583 30.285 29.700 0.004 0.000 2.271 529 E HN 0.379 nan 8.360 nan 0.000 0.482 530 G N 1.292 110.086 108.800 -0.010 0.000 4.341 530 G HA2 0.181 4.141 3.960 0.000 0.000 0.251 530 G HA3 0.181 4.141 3.960 0.000 0.000 0.251 530 G C -0.875 174.000 174.900 -0.041 0.000 1.036 530 G CA -0.512 44.569 45.100 -0.031 0.000 0.708 530 G HN 0.258 nan 8.290 nan 0.000 0.510 531 N N 0.386 119.078 118.700 -0.014 0.000 2.472 531 N HA -0.089 4.651 4.740 0.000 0.000 0.294 531 N C 1.289 176.781 175.510 -0.030 0.000 1.496 531 N CA 1.678 54.718 53.050 -0.017 0.000 0.716 531 N CB -0.445 38.027 38.487 -0.024 0.000 0.993 531 N HN 1.963 nan 8.380 nan 0.000 0.470 532 A N 1.832 124.638 122.820 -0.024 0.000 4.832 532 A HA -0.238 4.082 4.320 0.000 0.000 0.351 532 A C 1.070 178.642 177.584 -0.020 0.000 1.699 532 A CA 3.285 55.306 52.037 -0.026 0.000 0.731 532 A CB -2.036 16.941 19.000 -0.038 0.000 1.480 532 A HN 2.332 nan 8.150 nan 0.000 0.447 533 A N -0.197 122.607 122.820 -0.028 0.000 2.587 533 A HA 0.488 4.808 4.320 0.000 0.000 0.233 533 A C 0.927 178.499 177.584 -0.020 0.000 1.049 533 A CA 1.072 53.094 52.037 -0.025 0.000 0.754 533 A CB -0.386 18.595 19.000 -0.031 0.000 0.977 533 A HN 2.399 nan 8.150 nan 0.000 0.509 534 A N 3.181 125.992 122.820 -0.015 0.000 3.048 534 A HA 0.392 4.712 4.320 0.000 0.000 0.264 534 A C 0.709 178.286 177.584 -0.012 0.000 1.796 534 A CA -0.110 51.921 52.037 -0.010 0.000 1.445 534 A CB -1.309 17.687 19.000 -0.007 0.000 1.074 534 A HN 1.043 nan 8.150 nan 0.000 0.621 535 N N -0.141 118.549 118.700 -0.016 0.000 2.701 535 N HA -0.175 4.565 4.740 0.000 0.000 0.250 535 N C 0.868 176.367 175.510 -0.017 0.000 1.046 535 N CA 1.743 54.782 53.050 -0.018 0.000 0.733 535 N CB -1.062 37.418 38.487 -0.011 0.000 0.973 535 N HN 0.751 nan 8.380 nan 0.000 0.541 536 T N -2.417 112.124 114.554 -0.020 0.000 3.114 536 T HA 0.265 4.615 4.350 0.000 0.000 0.240 536 T C 1.088 175.776 174.700 -0.020 0.000 0.983 536 T CA 0.575 62.665 62.100 -0.017 0.000 1.151 536 T CB 0.037 68.896 68.868 -0.015 0.000 0.974 536 T HN 0.138 nan 8.240 nan 0.000 0.442 537 L N 0.054 121.261 121.223 -0.026 0.000 2.993 537 L HA 0.472 4.812 4.340 0.000 0.000 0.264 537 L C 0.320 177.166 176.870 -0.039 0.000 1.154 537 L CA 0.769 55.592 54.840 -0.028 0.000 0.972 537 L CB 0.544 42.587 42.059 -0.026 0.000 1.373 537 L HN 0.227 nan 8.230 nan 0.000 0.564 538 D N -0.803 119.569 120.400 -0.047 0.000 3.028 538 D HA -0.215 4.425 4.640 0.000 0.000 0.211 538 D C -0.401 175.853 176.300 -0.077 0.000 1.136 538 D CA 1.172 55.131 54.000 -0.069 0.000 0.987 538 D CB -0.601 40.151 40.800 -0.080 0.000 1.128 538 D HN 0.037 nan 8.370 nan 0.000 0.406 539 L N 0.887 122.075 121.223 -0.059 0.000 2.272 539 L HA 0.394 4.734 4.340 0.000 0.000 0.289 539 L C 1.235 178.075 176.870 -0.050 0.000 1.032 539 L CA -0.382 54.425 54.840 -0.056 0.000 0.810 539 L CB 1.035 43.068 42.059 -0.044 0.000 1.205 539 L HN 0.054 nan 8.230 nan 0.000 0.422 540 T N -1.540 112.981 114.554 -0.055 0.000 2.770 540 T HA 0.465 4.815 4.350 0.000 0.000 0.281 540 T C -0.215 174.458 174.700 -0.045 0.000 0.981 540 T CA -0.656 61.412 62.100 -0.052 0.000 0.955 540 T CB 1.099 69.932 68.868 -0.059 0.000 1.060 540 T HN 0.453 nan 8.240 nan 0.000 0.531 541 D N 0.925 121.298 120.400 -0.045 0.000 2.978 541 D HA 0.246 4.886 4.640 0.000 0.000 0.268 541 D C 0.604 176.876 176.300 -0.048 0.000 1.252 541 D CA -0.296 53.679 54.000 -0.042 0.000 0.771 541 D CB 0.439 41.218 40.800 -0.035 0.000 1.361 541 D HN 0.657 nan 8.370 nan 0.000 0.558 542 L N -1.376 119.813 121.223 -0.056 0.000 2.656 542 L HA 0.599 4.939 4.340 0.000 0.000 0.149 542 L C 0.639 177.462 176.870 -0.078 0.000 1.500 542 L CA -0.042 54.756 54.840 -0.069 0.000 2.484 542 L CB -0.068 41.945 42.059 -0.077 0.000 2.776 542 L HN 0.000 nan 8.230 nan 0.000 0.674 543 T N -0.195 114.299 114.554 -0.099 0.000 3.078 543 T HA 0.615 4.965 4.350 0.000 0.000 0.328 543 T C -0.309 174.313 174.700 -0.128 0.000 0.987 543 T CA -0.208 61.824 62.100 -0.113 0.000 1.049 543 T CB 0.110 68.894 68.868 -0.139 0.000 1.011 543 T HN 0.981 nan 8.240 nan 0.000 0.463 544 G N 2.720 111.455 108.800 -0.108 0.000 2.521 544 G HA2 0.635 4.595 3.960 0.000 0.000 0.323 544 G HA3 0.635 4.595 3.960 0.000 0.000 0.323 544 G C -0.278 174.547 174.900 -0.126 0.000 1.211 544 G CA -0.905 44.129 45.100 -0.111 0.000 0.979 544 G HN 0.905 nan 8.290 nan 0.000 0.490 545 E N -0.642 119.479 120.200 -0.132 0.000 2.349 545 E HA 0.149 4.499 4.350 0.000 0.000 0.262 545 E C -0.441 176.078 176.600 -0.135 0.000 1.088 545 E CA -0.601 55.693 56.400 -0.177 0.000 0.899 545 E CB 0.879 30.462 29.700 -0.196 0.000 1.044 545 E HN 0.423 nan 8.360 nan 0.000 0.420 546 N N 0.397 118.995 118.700 -0.170 0.000 2.407 546 N HA 0.028 4.768 4.740 0.000 0.000 0.250 546 N C -0.191 175.296 175.510 -0.038 0.000 1.236 546 N CA -0.055 52.945 53.050 -0.083 0.000 0.879 546 N CB 0.638 39.095 38.487 -0.049 0.000 1.088 546 N HN 0.407 nan 8.380 nan 0.000 0.450 547 V N -0.125 119.779 119.914 -0.016 0.000 3.237 547 V HA 0.062 4.182 4.120 0.000 0.000 0.305 547 V C 0.717 176.828 176.094 0.028 0.000 1.096 547 V CA -0.601 61.699 62.300 -0.001 0.000 1.130 547 V CB 0.500 32.315 31.823 -0.013 0.000 1.048 547 V HN 0.585 nan 8.190 nan 0.000 0.484 548 Q N -0.368 119.450 119.800 0.031 0.000 2.500 548 Q HA 0.183 4.523 4.340 0.000 0.000 0.215 548 Q C 0.804 176.844 176.000 0.067 0.000 1.062 548 Q CA 0.416 56.254 55.803 0.057 0.000 0.996 548 Q CB 0.353 29.104 28.738 0.022 0.000 1.239 548 Q HN 0.864 nan 8.270 nan 0.000 0.578 549 H N -0.368 118.701 119.070 -0.001 0.000 2.551 549 H HA 0.377 4.933 4.556 0.000 0.000 0.266 549 H C -0.076 175.249 175.328 -0.006 0.000 0.977 549 H CA 0.382 56.432 56.048 0.004 0.000 1.163 549 H CB 0.283 30.048 29.762 0.005 0.000 1.381 549 H HN 0.557 nan 8.280 nan 0.000 0.581 550 A N 0.000 122.879 122.820 0.099 0.000 2.254 550 A HA 0.000 4.320 4.320 0.000 0.000 0.244 550 A CA 0.000 52.074 52.037 0.061 0.000 0.836 550 A CB 0.000 19.021 19.000 0.035 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486