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 1d9z_1_A DATA FIRST_RESID 2 DATA SEQUENCE EGRFQLVAPY EPQGDQPQAI AKLVDGLRRG VKHQTLLGAT GTGKTFTISN DATA SEQUENCE VIAQVNKPTL VIAHNKTLAG QLYSELKEFF PHNAVEYFVS YYDYYQPEAY DATA SEQUENCE VPQTDTYIEK DAKINDEIDK LRHSATSALF ERRDVIIVAS VSCIYGLGSP DATA SEQUENCE EEYRELVVSL RVGMEIERNA LLRRLVDIQY DRNDIXFRGT FRVRGDVVEI DATA SEQUENCE FPASRDEHCI RVEFFGDEIE XXXREVDALT GKVLGEREHV AIFPASHFVT DATA SEQUENCE REEKMRLAIQ NIEQELEERL AELRAQGKLL EAQRLEQRTR YDLEMMREMG DATA SEQUENCE FCSGIENYSR HLALRPPGST PYTLLDYFPD DFLIIVDESH VTLPQLRGMY DATA SEQUENCE NGDRARKQVL VDHGFRLPSA LDNRPLTFEE FEQKINQIIY VSATPGPYEL DATA SEQUENCE EHSPGVVEQI IRPTGLLDPT IDVRPTKGQI DDLIGEIRER VERNERTLVT DATA SEQUENCE TLTKKMAEDL TDYLKEAGIK VAYLHSEIKT LERIEIIRDL RLGKYDVLVG DATA SEQUENCE INLLREGLDI PEVSLVAILD ADKEGFLRSE RSLIQTIGRA ARNANGHVIM DATA SEQUENCE YADTITKSME IAIQETKRRR AIQEEYNRKH GIVPRTVKKE IRDV 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.573 176.600 -0.046 0.000 1.382 2 E CA 0.000 56.385 56.400 -0.026 0.000 0.976 2 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 3 G N 0.234 108.989 108.800 -0.075 0.000 2.500 3 G HA2 0.237 4.197 3.960 0.001 0.000 0.227 3 G HA3 0.237 4.197 3.960 0.001 0.000 0.227 3 G C -0.436 174.390 174.900 -0.124 0.000 1.157 3 G CA 0.153 45.181 45.100 -0.120 0.000 0.945 3 G HN 0.412 nan 8.290 nan 0.000 0.518 4 R N 0.140 120.570 120.500 -0.117 0.000 2.483 4 R HA 0.405 4.746 4.340 0.001 0.000 0.303 4 R C -0.816 175.485 176.300 0.002 0.000 0.987 4 R CA -0.736 55.340 56.100 -0.041 0.000 0.881 4 R CB 1.063 31.376 30.300 0.022 0.000 1.177 4 R HN 0.174 nan 8.270 nan 0.000 0.451 5 F N 2.435 122.433 119.950 0.080 0.000 2.467 5 F HA 0.122 4.649 4.527 0.001 0.000 0.362 5 F C 0.919 176.805 175.800 0.144 0.000 1.090 5 F CA 0.197 58.271 58.000 0.123 0.000 1.202 5 F CB 1.032 40.101 39.000 0.114 0.000 1.113 5 F HN 0.195 nan 8.300 nan 0.000 0.541 6 Q N 4.715 124.782 119.800 0.444 0.000 2.413 6 Q HA 0.253 4.594 4.340 0.001 0.000 0.258 6 Q C -1.146 174.948 176.000 0.157 0.000 1.037 6 Q CA -0.969 54.984 55.803 0.251 0.000 0.764 6 Q CB 1.812 30.689 28.738 0.232 0.000 1.217 6 Q HN 0.456 nan 8.270 nan 0.000 0.490 7 L N 4.049 125.286 121.223 0.023 0.000 2.302 7 L HA 0.302 4.643 4.340 0.001 0.000 0.285 7 L C -0.777 175.965 176.870 -0.215 0.000 1.090 7 L CA -0.044 54.642 54.840 -0.256 0.000 0.866 7 L CB 0.527 42.403 42.059 -0.305 0.000 1.244 7 L HN 0.299 nan 8.230 nan 0.000 0.435 8 V N 4.734 124.507 119.914 -0.235 0.000 3.264 8 V HA 0.815 4.935 4.120 0.001 0.000 0.304 8 V C 0.418 176.464 176.094 -0.081 0.000 1.086 8 V CA 0.324 62.536 62.300 -0.146 0.000 1.090 8 V CB 1.323 33.038 31.823 -0.181 0.000 1.112 8 V HN 1.115 nan 8.190 nan 0.000 0.472 9 A N 3.250 126.037 122.820 -0.055 0.000 2.538 9 A HA 0.525 4.845 4.320 0.001 0.000 0.306 9 A C -2.167 175.320 177.584 -0.161 0.000 0.999 9 A CA -0.333 51.676 52.037 -0.047 0.000 0.829 9 A CB 0.028 19.143 19.000 0.191 0.000 1.143 9 A HN 0.593 nan 8.150 nan 0.000 0.378 10 P HA 0.059 nan 4.420 nan 0.000 0.214 10 P C 0.868 178.053 177.300 -0.191 0.000 1.162 10 P CA 1.522 64.461 63.100 -0.269 0.000 0.871 10 P CB -0.292 31.245 31.700 -0.273 0.000 0.783 11 Y N -0.192 120.084 120.300 -0.040 0.000 2.697 11 Y HA 0.455 5.005 4.550 0.001 0.000 0.471 11 Y C 1.032 176.889 175.900 -0.071 0.000 1.418 11 Y CA -0.314 57.724 58.100 -0.103 0.000 2.076 11 Y CB -0.569 37.750 38.460 -0.234 0.000 1.805 11 Y HN -0.198 nan 8.280 nan 0.000 0.660 12 E N -1.097 119.185 120.200 0.136 0.000 2.407 12 E HA 0.275 4.625 4.350 0.001 0.000 0.279 12 E C -2.990 173.633 176.600 0.038 0.000 1.012 12 E CA -2.188 54.274 56.400 0.103 0.000 0.800 12 E CB 1.910 31.658 29.700 0.079 0.000 1.276 12 E HN 0.206 nan 8.360 nan 0.000 0.452 13 P HA 0.025 nan 4.420 nan 0.000 0.259 13 P C -0.206 177.106 177.300 0.019 0.000 1.211 13 P CA 0.679 63.840 63.100 0.102 0.000 0.810 13 P CB 0.473 32.264 31.700 0.152 0.000 0.815 14 Q N 1.923 121.691 119.800 -0.053 0.000 3.028 14 Q HA 0.359 4.699 4.340 0.001 0.000 0.204 14 Q C 1.560 177.522 176.000 -0.064 0.000 1.155 14 Q CA -0.277 55.494 55.803 -0.053 0.000 0.447 14 Q CB -0.445 28.232 28.738 -0.102 0.000 5.412 14 Q HN 0.468 nan 8.270 nan 0.000 0.322 15 G N 2.071 110.801 108.800 -0.116 0.000 2.557 15 G HA2 -0.338 3.622 3.960 0.001 0.000 0.734 15 G HA3 -0.338 3.622 3.960 0.001 0.000 0.734 15 G C -0.064 174.727 174.900 -0.181 0.000 1.327 15 G CA 1.188 46.161 45.100 -0.212 0.000 0.910 15 G HN 0.789 nan 8.290 nan 0.000 0.553 16 D N -0.287 120.004 120.400 -0.181 0.000 2.615 16 D HA 0.193 4.834 4.640 0.001 0.000 0.236 16 D C 1.674 177.946 176.300 -0.047 0.000 1.233 16 D CA 0.215 54.153 54.000 -0.103 0.000 0.829 16 D CB 0.064 40.792 40.800 -0.120 0.000 1.024 16 D HN 0.675 nan 8.370 nan 0.000 0.490 17 Q N 0.308 120.089 119.800 -0.031 0.000 2.045 17 Q HA -0.135 4.205 4.340 0.001 0.000 0.206 17 Q C -0.595 175.420 176.000 0.025 0.000 0.991 17 Q CA 1.917 57.728 55.803 0.012 0.000 0.851 17 Q CB -0.988 27.781 28.738 0.051 0.000 0.911 17 Q HN 0.316 nan 8.270 nan 0.000 0.418 18 P HA -0.251 nan 4.420 nan 0.000 0.214 18 P C 1.230 178.543 177.300 0.021 0.000 1.163 18 P CA 1.413 64.533 63.100 0.034 0.000 0.889 18 P CB -0.241 31.484 31.700 0.042 0.000 0.790 19 Q N 0.213 120.023 119.800 0.018 0.000 2.112 19 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 19 Q C 1.846 177.849 176.000 0.006 0.000 0.987 19 Q CA 2.423 58.234 55.803 0.013 0.000 0.858 19 Q CB -0.920 27.825 28.738 0.011 0.000 0.905 19 Q HN 0.106 nan 8.270 nan 0.000 0.420 20 A N 1.831 124.652 122.820 0.001 0.000 1.821 20 A HA -0.153 4.167 4.320 0.001 0.000 0.215 20 A C 2.252 179.834 177.584 -0.004 0.000 1.216 20 A CA 1.487 53.523 52.037 -0.002 0.000 0.615 20 A CB -1.103 17.895 19.000 -0.005 0.000 0.862 20 A HN 0.459 nan 8.150 nan 0.000 0.450 21 I N -0.425 120.143 120.570 -0.004 0.000 3.016 21 I HA -0.464 3.707 4.170 0.001 0.000 0.191 21 I C 2.860 178.969 176.117 -0.013 0.000 0.870 21 I CA 2.007 63.298 61.300 -0.015 0.000 1.180 21 I CB -1.105 36.889 38.000 -0.011 0.000 0.901 21 I HN 0.457 nan 8.210 nan 0.000 0.345 22 A N 0.003 122.820 122.820 -0.005 0.000 2.023 22 A HA -0.330 3.990 4.320 0.001 0.000 0.223 22 A C 2.309 179.891 177.584 -0.002 0.000 1.180 22 A CA 2.557 54.593 52.037 -0.002 0.000 0.659 22 A CB -0.790 18.213 19.000 0.006 0.000 0.817 22 A HN 0.550 nan 8.150 nan 0.000 0.466 23 K N -0.592 119.807 120.400 -0.001 0.000 2.025 23 K HA -0.041 4.279 4.320 0.001 0.000 0.207 23 K C 1.921 178.518 176.600 -0.005 0.000 1.049 23 K CA 1.341 57.628 56.287 -0.001 0.000 0.933 23 K CB -0.301 32.200 32.500 0.001 0.000 0.714 23 K HN 0.525 nan 8.250 nan 0.000 0.438 24 L N 0.429 121.646 121.223 -0.010 0.000 1.970 24 L HA -0.256 4.084 4.340 0.001 0.000 0.212 24 L C 2.331 179.188 176.870 -0.021 0.000 1.071 24 L CA 1.343 56.173 54.840 -0.017 0.000 0.751 24 L CB -0.861 41.183 42.059 -0.026 0.000 0.889 24 L HN 0.058 nan 8.230 nan 0.000 0.432 25 V N 0.679 120.579 119.914 -0.023 0.000 2.220 25 V HA -0.453 3.668 4.120 0.001 0.000 0.250 25 V C 2.295 178.381 176.094 -0.013 0.000 1.053 25 V CA 2.467 64.754 62.300 -0.021 0.000 1.019 25 V CB -0.834 30.979 31.823 -0.016 0.000 0.646 25 V HN 0.611 nan 8.190 nan 0.000 0.455 26 D N 0.502 120.897 120.400 -0.007 0.000 2.191 26 D HA -0.230 4.410 4.640 0.001 0.000 0.190 26 D C 2.028 178.324 176.300 -0.006 0.000 1.007 26 D CA 2.119 56.117 54.000 -0.004 0.000 0.865 26 D CB -0.677 40.123 40.800 -0.001 0.000 0.929 26 D HN 0.450 nan 8.370 nan 0.000 0.447 27 G N -0.574 108.222 108.800 -0.007 0.000 2.448 27 G HA2 -0.166 3.795 3.960 0.001 0.000 0.219 27 G HA3 -0.166 3.795 3.960 0.001 0.000 0.219 27 G C 1.671 176.564 174.900 -0.013 0.000 1.127 27 G CA 0.786 45.881 45.100 -0.007 0.000 0.766 27 G HN 0.347 nan 8.290 nan 0.000 0.552 28 L N -0.349 120.862 121.223 -0.020 0.000 1.982 28 L HA 0.001 4.341 4.340 0.001 0.000 0.206 28 L C 3.140 180.000 176.870 -0.017 0.000 1.078 28 L CA 1.081 55.905 54.840 -0.027 0.000 0.749 28 L CB -0.468 41.569 42.059 -0.036 0.000 0.894 28 L HN 0.076 nan 8.230 nan 0.000 0.436 29 R N 0.268 120.761 120.500 -0.012 0.000 2.133 29 R HA -0.230 4.111 4.340 0.001 0.000 0.245 29 R C 2.078 178.375 176.300 -0.005 0.000 1.137 29 R CA 1.667 57.764 56.100 -0.005 0.000 0.947 29 R CB -0.665 29.634 30.300 -0.002 0.000 0.865 29 R HN 0.365 nan 8.270 nan 0.000 0.437 30 R N 0.497 120.994 120.500 -0.005 0.000 2.395 30 R HA -0.028 4.312 4.340 0.001 0.000 0.202 30 R C 0.597 176.894 176.300 -0.006 0.000 1.088 30 R CA 0.563 56.660 56.100 -0.004 0.000 1.090 30 R CB -0.347 29.951 30.300 -0.004 0.000 0.876 30 R HN 0.477 nan 8.270 nan 0.000 0.477 31 G N 1.035 109.830 108.800 -0.008 0.000 2.370 31 G HA2 -0.240 3.721 3.960 0.001 0.000 0.295 31 G HA3 -0.240 3.721 3.960 0.001 0.000 0.295 31 G C -0.203 174.691 174.900 -0.010 0.000 1.045 31 G CA -0.029 45.065 45.100 -0.009 0.000 1.199 31 G HN 0.150 nan 8.290 nan 0.000 0.513 32 V N 1.191 121.099 119.914 -0.010 0.000 2.628 32 V HA 0.459 4.579 4.120 0.001 0.000 0.306 32 V C 1.442 177.541 176.094 0.008 0.000 1.045 32 V CA -0.448 61.850 62.300 -0.004 0.000 0.905 32 V CB 1.849 33.672 31.823 0.001 0.000 0.997 32 V HN 0.426 nan 8.190 nan 0.000 0.436 33 K N 1.239 121.657 120.400 0.030 0.000 1.991 33 K HA 0.123 4.443 4.320 0.001 0.000 0.208 33 K C 0.208 176.951 176.600 0.237 0.000 1.038 33 K CA 0.797 57.155 56.287 0.119 0.000 0.943 33 K CB 0.017 32.587 32.500 0.117 0.000 0.736 33 K HN 0.761 nan 8.250 nan 0.000 0.440 34 H N 0.332 119.403 119.070 0.002 0.000 2.458 34 H HA 0.288 4.844 4.556 0.001 0.000 0.330 34 H C -0.570 174.789 175.328 0.053 0.000 1.111 34 H CA -0.749 55.325 56.048 0.044 0.000 1.245 34 H CB 1.615 31.494 29.762 0.195 0.000 1.456 34 H HN 0.141 nan 8.280 nan 0.000 0.488 35 Q N 1.650 121.545 119.800 0.158 0.000 2.331 35 Q HA 0.308 4.648 4.340 0.001 0.000 0.272 35 Q C -1.162 174.933 176.000 0.159 0.000 1.062 35 Q CA -0.810 55.060 55.803 0.112 0.000 0.806 35 Q CB 2.980 31.738 28.738 0.033 0.000 1.312 35 Q HN 0.598 nan 8.270 nan 0.000 0.431 36 T N 2.082 116.729 114.554 0.155 0.000 2.786 36 T HA 0.372 4.722 4.350 0.001 0.000 0.283 36 T C -0.933 173.823 174.700 0.093 0.000 0.992 36 T CA -0.576 61.626 62.100 0.171 0.000 0.954 36 T CB 0.774 69.741 68.868 0.166 0.000 0.934 36 T HN 0.343 nan 8.240 nan 0.000 0.440 37 L N 5.090 126.363 121.223 0.085 0.000 2.283 37 L HA 0.523 4.863 4.340 0.001 0.000 0.287 37 L C -0.610 176.282 176.870 0.036 0.000 1.073 37 L CA -0.760 54.108 54.840 0.046 0.000 0.822 37 L CB 0.346 42.426 42.059 0.034 0.000 1.186 37 L HN 0.500 nan 8.230 nan 0.000 0.436 38 L N 6.411 127.644 121.223 0.016 0.000 2.352 38 L HA 0.661 5.001 4.340 0.001 0.000 0.272 38 L C 0.111 176.972 176.870 -0.014 0.000 1.109 38 L CA -0.254 54.584 54.840 -0.003 0.000 0.952 38 L CB 0.013 42.066 42.059 -0.010 0.000 1.314 38 L HN 0.677 nan 8.230 nan 0.000 0.427 39 G N 3.459 112.252 108.800 -0.012 0.000 2.368 39 G HA2 0.669 4.630 3.960 0.001 0.000 0.320 39 G HA3 0.669 4.630 3.960 0.001 0.000 0.320 39 G C -0.279 174.605 174.900 -0.026 0.000 1.158 39 G CA -0.111 44.979 45.100 -0.018 0.000 0.912 39 G HN 0.936 nan 8.290 nan 0.000 0.456 40 A N 2.006 124.803 122.820 -0.037 0.000 2.366 40 A HA 0.644 4.964 4.320 0.001 0.000 0.250 40 A C 1.209 178.776 177.584 -0.029 0.000 1.099 40 A CA 0.444 52.457 52.037 -0.040 0.000 0.794 40 A CB 0.169 19.140 19.000 -0.049 0.000 1.056 40 A HN 1.297 nan 8.150 nan 0.000 0.499 41 T N -1.186 113.352 114.554 -0.026 0.000 2.856 41 T HA 0.414 4.764 4.350 0.001 0.000 0.306 41 T C 1.275 175.963 174.700 -0.020 0.000 1.062 41 T CA 0.932 63.024 62.100 -0.013 0.000 1.083 41 T CB 0.102 68.965 68.868 -0.010 0.000 0.984 41 T HN 2.441 nan 8.240 nan 0.000 0.542 42 G N 2.298 111.091 108.800 -0.012 0.000 2.337 42 G HA2 -0.311 3.649 3.960 0.001 0.000 0.290 42 G HA3 -0.311 3.649 3.960 0.001 0.000 0.290 42 G C 0.792 175.664 174.900 -0.046 0.000 1.003 42 G CA 1.355 46.441 45.100 -0.024 0.000 0.825 42 G HN 1.647 nan 8.290 nan 0.000 0.509 43 T N -2.661 111.867 114.554 -0.044 0.000 3.086 43 T HA 0.477 4.827 4.350 0.001 0.000 0.250 43 T C 1.512 176.177 174.700 -0.058 0.000 1.074 43 T CA 0.923 62.984 62.100 -0.065 0.000 0.988 43 T CB 0.348 69.177 68.868 -0.066 0.000 0.988 43 T HN 2.176 nan 8.240 nan 0.000 0.530 44 G N 1.792 110.575 108.800 -0.028 0.000 2.738 44 G HA2 -0.184 3.777 3.960 0.001 0.000 0.262 44 G HA3 -0.184 3.777 3.960 0.001 0.000 0.262 44 G C 0.172 175.112 174.900 0.067 0.000 1.032 44 G CA 0.098 45.204 45.100 0.010 0.000 1.278 44 G HN 0.541 nan 8.290 nan 0.000 0.537 45 K N 0.239 120.686 120.400 0.079 0.000 2.172 45 K HA 0.064 4.385 4.320 0.001 0.000 0.203 45 K C 2.662 179.316 176.600 0.090 0.000 1.040 45 K CA 1.085 57.415 56.287 0.072 0.000 0.974 45 K CB -0.196 32.339 32.500 0.058 0.000 0.857 45 K HN 0.337 nan 8.250 nan 0.000 0.464 46 T N 1.841 116.473 114.554 0.129 0.000 2.680 46 T HA -0.239 4.111 4.350 0.001 0.000 0.268 46 T C 1.466 176.215 174.700 0.082 0.000 1.033 46 T CA 1.831 64.027 62.100 0.159 0.000 1.152 46 T CB -0.354 68.674 68.868 0.266 0.000 0.859 46 T HN 0.204 nan 8.240 nan 0.000 0.452 47 F N 1.212 121.135 119.950 -0.045 0.000 2.118 47 F HA -0.053 4.475 4.527 0.001 0.000 0.293 47 F C 2.625 178.281 175.800 -0.239 0.000 1.102 47 F CA 1.327 59.156 58.000 -0.284 0.000 1.247 47 F CB -0.746 38.244 39.000 -0.016 0.000 1.017 47 F HN -0.005 nan 8.300 nan 0.000 0.475 48 T N 1.486 116.104 114.554 0.107 0.000 2.653 48 T HA -0.280 4.070 4.350 0.001 0.000 0.268 48 T C 1.862 176.461 174.700 -0.168 0.000 1.035 48 T CA 2.074 64.176 62.100 0.003 0.000 1.154 48 T CB -0.562 68.337 68.868 0.051 0.000 0.862 48 T HN 0.211 nan 8.240 nan 0.000 0.441 49 I N 1.333 121.823 120.570 -0.134 0.000 2.118 49 I HA -0.196 3.974 4.170 0.001 0.000 0.241 49 I C 2.492 178.486 176.117 -0.206 0.000 1.070 49 I CA 1.440 62.659 61.300 -0.135 0.000 1.327 49 I CB -0.537 37.422 38.000 -0.069 0.000 1.034 49 I HN 0.161 nan 8.210 nan 0.000 0.405 50 S N 0.573 116.085 115.700 -0.313 0.000 2.400 50 S HA -0.187 4.284 4.470 0.001 0.000 0.232 50 S C 1.797 176.211 174.600 -0.309 0.000 1.025 50 S CA 1.378 59.427 58.200 -0.251 0.000 0.993 50 S CB -0.756 62.098 63.200 -0.576 0.000 0.808 50 S HN 0.544 nan 8.310 nan 0.000 0.478 51 N N 1.314 119.741 118.700 -0.455 0.000 2.058 51 N HA -0.096 4.644 4.740 0.001 0.000 0.191 51 N C 1.877 177.275 175.510 -0.187 0.000 1.037 51 N CA 1.714 54.560 53.050 -0.340 0.000 0.848 51 N CB -0.440 37.855 38.487 -0.320 0.000 1.021 51 N HN 0.289 nan 8.380 nan 0.000 0.422 52 V N 2.065 121.883 119.914 -0.160 0.000 2.287 52 V HA -0.228 3.893 4.120 0.001 0.000 0.248 52 V C 2.397 178.423 176.094 -0.114 0.000 1.053 52 V CA 1.364 63.598 62.300 -0.109 0.000 1.027 52 V CB -0.688 31.076 31.823 -0.098 0.000 0.646 52 V HN 0.213 nan 8.190 nan 0.000 0.447 53 I N 0.719 121.193 120.570 -0.160 0.000 2.091 53 I HA -0.385 3.785 4.170 0.001 0.000 0.240 53 I C 2.635 178.627 176.117 -0.208 0.000 1.046 53 I CA 2.202 63.370 61.300 -0.220 0.000 1.306 53 I CB -0.459 37.327 38.000 -0.358 0.000 1.018 53 I HN 0.334 nan 8.210 nan 0.000 0.404 54 A N -0.969 121.725 122.820 -0.211 0.000 2.015 54 A HA -0.250 4.070 4.320 0.001 0.000 0.219 54 A C 2.133 179.744 177.584 0.046 0.000 1.163 54 A CA 1.516 53.513 52.037 -0.067 0.000 0.646 54 A CB -0.481 18.513 19.000 -0.010 0.000 0.806 54 A HN 0.499 nan 8.150 nan 0.000 0.448 55 Q N -0.649 119.148 119.800 -0.005 0.000 2.297 55 Q HA -0.036 4.304 4.340 0.001 0.000 0.204 55 Q C 1.589 177.611 176.000 0.037 0.000 0.962 55 Q CA 1.495 57.308 55.803 0.016 0.000 0.879 55 Q CB 0.058 28.790 28.738 -0.010 0.000 0.947 55 Q HN 0.609 nan 8.270 nan 0.000 0.462 56 V N -2.462 117.476 119.914 0.039 0.000 3.621 56 V HA 0.136 4.256 4.120 0.001 0.000 0.285 56 V C 0.328 176.488 176.094 0.110 0.000 1.346 56 V CA -0.317 62.014 62.300 0.050 0.000 1.104 56 V CB -0.411 31.421 31.823 0.014 0.000 0.913 56 V HN 0.278 nan 8.190 nan 0.000 0.432 57 N N 2.298 121.126 118.700 0.214 0.000 2.726 57 N HA -0.205 4.536 4.740 0.001 0.000 0.287 57 N C -0.204 175.427 175.510 0.202 0.000 1.052 57 N CA 1.144 54.393 53.050 0.332 0.000 0.805 57 N CB -0.306 38.289 38.487 0.180 0.000 0.944 57 N HN 0.684 nan 8.380 nan 0.000 0.574 58 K N 0.457 121.022 120.400 0.276 0.000 2.495 58 K HA 0.618 4.938 4.320 0.001 0.000 0.268 58 K C -2.628 174.119 176.600 0.246 0.000 1.008 58 K CA -1.303 55.085 56.287 0.168 0.000 0.882 58 K CB 2.278 34.834 32.500 0.094 0.000 1.443 58 K HN -0.049 nan 8.250 nan 0.000 0.447 59 P HA 0.353 nan 4.420 nan 0.000 0.293 59 P C -1.414 176.012 177.300 0.210 0.000 1.291 59 P CA -0.483 62.772 63.100 0.258 0.000 0.867 59 P CB 1.664 33.534 31.700 0.285 0.000 1.074 60 T N -0.504 114.158 114.554 0.181 0.000 2.843 60 T HA 0.619 4.970 4.350 0.001 0.000 0.302 60 T C -1.150 173.525 174.700 -0.042 0.000 1.232 60 T CA -0.838 61.213 62.100 -0.081 0.000 1.009 60 T CB 1.176 69.965 68.868 -0.131 0.000 1.254 60 T HN 0.346 nan 8.240 nan 0.000 0.504 61 L N 1.412 122.481 121.223 -0.257 0.000 2.333 61 L HA 0.809 5.149 4.340 0.001 0.000 0.280 61 L C -1.324 175.505 176.870 -0.069 0.000 1.004 61 L CA -0.681 54.119 54.840 -0.068 0.000 0.820 61 L CB 1.791 43.766 42.059 -0.141 0.000 1.247 61 L HN 0.641 nan 8.230 nan 0.000 0.416 62 V N 6.921 126.845 119.914 0.018 0.000 2.318 62 V HA 0.382 4.502 4.120 0.001 0.000 0.271 62 V C 0.291 176.417 176.094 0.053 0.000 1.030 62 V CA -0.278 62.036 62.300 0.023 0.000 0.844 62 V CB 0.840 32.697 31.823 0.057 0.000 1.015 62 V HN 0.639 nan 8.190 nan 0.000 0.460 63 I N 4.818 125.411 120.570 0.039 0.000 2.337 63 I HA 0.578 4.748 4.170 0.001 0.000 0.291 63 I C 0.723 176.887 176.117 0.077 0.000 1.046 63 I CA 0.152 61.485 61.300 0.054 0.000 1.324 63 I CB 1.039 39.064 38.000 0.041 0.000 1.409 63 I HN 0.623 nan 8.210 nan 0.000 0.494 64 A N 4.156 127.026 122.820 0.084 0.000 2.281 64 A HA 0.458 4.778 4.320 0.001 0.000 0.329 64 A C 0.295 177.929 177.584 0.083 0.000 1.122 64 A CA -0.546 51.540 52.037 0.081 0.000 0.850 64 A CB 0.375 19.413 19.000 0.063 0.000 1.207 64 A HN 0.894 nan 8.150 nan 0.000 0.495 65 H N -0.365 118.743 119.070 0.064 0.000 2.519 65 H HA 0.396 4.952 4.556 0.001 0.000 0.289 65 H C -0.241 175.136 175.328 0.082 0.000 1.040 65 H CA 0.286 56.364 56.048 0.051 0.000 1.165 65 H CB -0.253 29.519 29.762 0.016 0.000 1.462 65 H HN 0.651 nan 8.280 nan 0.000 0.555 66 N N -1.627 116.965 118.700 -0.180 0.000 3.265 66 N HA 0.018 4.758 4.740 0.001 0.000 0.235 66 N C 0.054 175.531 175.510 -0.054 0.000 1.343 66 N CA -0.589 52.406 53.050 -0.092 0.000 0.904 66 N CB 1.022 39.395 38.487 -0.190 0.000 1.492 66 N HN 0.050 nan 8.380 nan 0.000 0.504 67 K N -0.030 120.343 120.400 -0.044 0.000 2.015 67 K HA -0.255 4.066 4.320 0.001 0.000 0.220 67 K C 1.085 177.717 176.600 0.053 0.000 1.055 67 K CA 3.471 59.758 56.287 -0.000 0.000 0.951 67 K CB -0.785 31.658 32.500 -0.095 0.000 0.725 67 K HN 0.764 nan 8.250 nan 0.000 0.449 68 T N 1.596 116.144 114.554 -0.009 0.000 2.570 68 T HA -0.241 4.109 4.350 0.001 0.000 0.266 68 T C 1.993 176.706 174.700 0.023 0.000 1.071 68 T CA 2.011 64.115 62.100 0.006 0.000 1.172 68 T CB -0.782 68.073 68.868 -0.022 0.000 0.864 68 T HN 0.205 nan 8.240 nan 0.000 0.421 69 L N 1.417 122.625 121.223 -0.024 0.000 2.021 69 L HA -0.217 4.123 4.340 0.001 0.000 0.215 69 L C 3.251 180.162 176.870 0.069 0.000 1.074 69 L CA 1.587 56.423 54.840 -0.007 0.000 0.760 69 L CB -0.995 41.002 42.059 -0.104 0.000 0.889 69 L HN 0.384 nan 8.230 nan 0.000 0.433 70 A N 0.184 123.069 122.820 0.109 0.000 1.986 70 A HA -0.185 4.135 4.320 0.001 0.000 0.220 70 A C 2.355 180.110 177.584 0.286 0.000 1.171 70 A CA 1.966 54.145 52.037 0.238 0.000 0.640 70 A CB -1.252 17.927 19.000 0.298 0.000 0.811 70 A HN 0.510 nan 8.150 nan 0.000 0.451 71 G N -1.211 107.694 108.800 0.176 0.000 2.464 71 G HA2 -0.241 3.719 3.960 0.001 0.000 0.214 71 G HA3 -0.241 3.719 3.960 0.001 0.000 0.214 71 G C 1.557 176.499 174.900 0.070 0.000 1.218 71 G CA 1.075 46.188 45.100 0.023 0.000 0.794 71 G HN 0.563 nan 8.290 nan 0.000 0.542 72 Q N -0.184 119.656 119.800 0.067 0.000 2.029 72 Q HA -0.127 4.213 4.340 0.001 0.000 0.209 72 Q C 2.646 178.707 176.000 0.103 0.000 0.999 72 Q CA 1.761 57.604 55.803 0.066 0.000 0.857 72 Q CB -0.390 28.384 28.738 0.061 0.000 0.926 72 Q HN 0.496 nan 8.270 nan 0.000 0.415 73 L N -0.481 120.825 121.223 0.139 0.000 2.089 73 L HA -0.271 4.069 4.340 0.001 0.000 0.213 73 L C 2.246 179.257 176.870 0.234 0.000 1.079 73 L CA 1.413 56.362 54.840 0.182 0.000 0.758 73 L CB -0.741 41.427 42.059 0.180 0.000 0.891 73 L HN 0.402 nan 8.230 nan 0.000 0.433 74 Y N 1.232 121.565 120.300 0.054 0.000 2.026 74 Y HA -0.384 4.167 4.550 0.001 0.000 0.253 74 Y C 3.033 178.947 175.900 0.024 0.000 1.098 74 Y CA 1.488 59.601 58.100 0.022 0.000 1.074 74 Y CB -1.064 37.300 38.460 -0.159 0.000 0.971 74 Y HN 0.331 nan 8.280 nan 0.000 0.482 75 S N 0.039 115.653 115.700 -0.142 0.000 2.380 75 S HA -0.340 4.130 4.470 0.001 0.000 0.229 75 S C 1.939 176.452 174.600 -0.145 0.000 1.050 75 S CA 1.844 59.895 58.200 -0.248 0.000 1.100 75 S CB -1.106 62.004 63.200 -0.151 0.000 0.984 75 S HN 0.670 nan 8.310 nan 0.000 0.434 76 E N 1.105 121.270 120.200 -0.058 0.000 2.072 76 E HA -0.234 4.117 4.350 0.001 0.000 0.218 76 E C 2.136 178.714 176.600 -0.038 0.000 1.051 76 E CA 2.043 58.400 56.400 -0.071 0.000 0.880 76 E CB -0.568 29.190 29.700 0.097 0.000 0.783 76 E HN 0.568 nan 8.360 nan 0.000 0.473 77 L N 0.770 122.130 121.223 0.230 0.000 2.261 77 L HA -0.214 4.126 4.340 0.001 0.000 0.216 77 L C 2.352 179.433 176.870 0.352 0.000 1.114 77 L CA 1.128 56.240 54.840 0.454 0.000 0.777 77 L CB -0.182 42.106 42.059 0.382 0.000 0.910 77 L HN 0.109 nan 8.230 nan 0.000 0.440 78 K N -0.507 119.936 120.400 0.071 0.000 2.001 78 K HA -0.137 4.183 4.320 0.001 0.000 0.208 78 K C 1.955 178.537 176.600 -0.031 0.000 1.048 78 K CA 1.076 57.358 56.287 -0.008 0.000 0.932 78 K CB -0.180 32.197 32.500 -0.205 0.000 0.715 78 K HN 0.187 nan 8.250 nan 0.000 0.437 79 E N 0.701 120.795 120.200 -0.176 0.000 2.160 79 E HA -0.165 4.186 4.350 0.001 0.000 0.195 79 E C 1.963 178.400 176.600 -0.271 0.000 0.991 79 E CA 1.209 57.450 56.400 -0.264 0.000 0.810 79 E CB -0.333 29.128 29.700 -0.398 0.000 0.742 79 E HN 0.245 nan 8.360 nan 0.000 0.466 80 F N 0.145 119.998 119.950 -0.161 0.000 2.113 80 F HA -0.059 4.468 4.527 0.001 0.000 0.297 80 F C 0.918 176.297 175.800 -0.701 0.000 1.103 80 F CA 0.699 58.404 58.000 -0.491 0.000 1.248 80 F CB -0.262 38.364 39.000 -0.624 0.000 0.999 80 F HN -0.127 nan 8.300 nan 0.000 0.475 81 F N 0.038 120.039 119.950 0.085 0.000 2.676 81 F HA 0.399 4.926 4.527 0.001 0.000 0.371 81 F C -2.196 173.611 175.800 0.012 0.000 1.141 81 F CA -2.844 55.174 58.000 0.030 0.000 1.133 81 F CB 0.431 39.495 39.000 0.108 0.000 1.376 81 F HN -0.251 nan 8.300 nan 0.000 0.491 82 P HA 0.099 nan 4.420 nan 0.000 0.267 82 P C 0.312 177.778 177.300 0.276 0.000 1.289 82 P CA 0.770 63.930 63.100 0.101 0.000 0.866 82 P CB 0.083 31.794 31.700 0.019 0.000 1.309 83 H N -1.435 117.731 119.070 0.159 0.000 2.592 83 H HA 0.344 4.901 4.556 0.001 0.000 0.279 83 H C 0.319 175.736 175.328 0.147 0.000 1.089 83 H CA -0.423 55.703 56.048 0.130 0.000 1.150 83 H CB 0.416 30.247 29.762 0.115 0.000 1.575 83 H HN 0.191 nan 8.280 nan 0.000 0.547 84 N N 0.114 118.989 118.700 0.291 0.000 3.038 84 N HA 0.544 5.285 4.740 0.001 0.000 0.307 84 N C -1.060 174.554 175.510 0.174 0.000 1.441 84 N CA -0.887 52.297 53.050 0.224 0.000 0.772 84 N CB 1.523 40.211 38.487 0.334 0.000 1.651 84 N HN 0.041 nan 8.380 nan 0.000 0.593 85 A N 0.865 123.762 122.820 0.127 0.000 2.279 85 A HA 0.478 4.798 4.320 0.001 0.000 0.306 85 A C -0.882 176.787 177.584 0.142 0.000 1.300 85 A CA -0.182 51.923 52.037 0.113 0.000 0.925 85 A CB -0.198 18.838 19.000 0.061 0.000 1.152 85 A HN 0.314 nan 8.150 nan 0.000 0.544 86 V N 5.066 125.086 119.914 0.178 0.000 2.380 86 V HA 0.316 4.436 4.120 0.001 0.000 0.286 86 V C -0.569 175.737 176.094 0.354 0.000 1.015 86 V CA -0.526 61.921 62.300 0.244 0.000 0.834 86 V CB 1.219 33.186 31.823 0.240 0.000 1.009 86 V HN 0.970 nan 8.190 nan 0.000 0.428 87 E N 2.998 123.369 120.200 0.285 0.000 2.249 87 E HA 0.410 4.760 4.350 0.001 0.000 0.263 87 E C -1.404 175.266 176.600 0.117 0.000 0.950 87 E CA -0.825 55.711 56.400 0.227 0.000 0.827 87 E CB 2.678 32.457 29.700 0.132 0.000 1.220 87 E HN 0.510 nan 8.360 nan 0.000 0.411 88 Y N 1.212 121.373 120.300 -0.233 0.000 2.863 88 Y HA 0.294 4.844 4.550 0.001 0.000 0.348 88 Y C -1.414 174.406 175.900 -0.133 0.000 1.028 88 Y CA -1.390 56.463 58.100 -0.412 0.000 1.213 88 Y CB -0.028 37.874 38.460 -0.931 0.000 1.120 88 Y HN 0.437 nan 8.280 nan 0.000 0.598 89 F N 5.765 125.533 119.950 -0.302 0.000 2.434 89 F HA 0.486 5.013 4.527 0.001 0.000 0.358 89 F C -0.346 175.216 175.800 -0.397 0.000 1.136 89 F CA 0.059 57.878 58.000 -0.302 0.000 1.157 89 F CB 0.234 39.117 39.000 -0.195 0.000 1.167 89 F HN 0.289 nan 8.300 nan 0.000 0.539 90 V N 4.532 124.177 119.914 -0.449 0.000 3.165 90 V HA 0.845 4.965 4.120 0.001 0.000 0.307 90 V C -0.835 175.156 176.094 -0.173 0.000 1.281 90 V CA 0.269 62.409 62.300 -0.266 0.000 1.056 90 V CB 2.425 33.974 31.823 -0.457 0.000 1.178 90 V HN 0.822 nan 8.190 nan 0.000 0.475 91 S N -0.723 114.990 115.700 0.021 0.000 2.636 91 S HA 0.428 4.899 4.470 0.001 0.000 0.268 91 S C -0.753 174.002 174.600 0.257 0.000 1.159 91 S CA -0.509 57.708 58.200 0.029 0.000 0.815 91 S CB 0.712 63.974 63.200 0.103 0.000 1.130 91 S HN 0.655 nan 8.310 nan 0.000 0.471 92 Y N 1.772 122.181 120.300 0.183 0.000 2.685 92 Y HA 0.133 4.684 4.550 0.001 0.000 0.365 92 Y C 1.199 177.244 175.900 0.242 0.000 1.113 92 Y CA -0.314 57.950 58.100 0.273 0.000 1.470 92 Y CB -0.667 38.015 38.460 0.369 0.000 1.361 92 Y HN 0.783 nan 8.280 nan 0.000 0.490 93 Y N -0.976 119.471 120.300 0.243 0.000 2.524 93 Y HA 0.175 4.725 4.550 0.001 0.000 0.270 93 Y C 0.154 176.123 175.900 0.115 0.000 1.094 93 Y CA -0.208 57.998 58.100 0.178 0.000 1.276 93 Y CB -0.205 38.400 38.460 0.241 0.000 1.130 93 Y HN -0.011 nan 8.280 nan 0.000 0.536 94 D N 0.633 120.668 120.400 -0.609 0.000 2.870 94 D HA 0.167 4.807 4.640 0.001 0.000 0.241 94 D C -0.650 175.350 176.300 -0.501 0.000 1.234 94 D CA 0.563 54.123 54.000 -0.732 0.000 0.844 94 D CB -0.200 40.294 40.800 -0.511 0.000 1.051 94 D HN 0.530 nan 8.370 nan 0.000 0.469 95 Y N -2.196 117.894 120.300 -0.351 0.000 2.031 95 Y HA 0.000 4.550 4.550 0.001 0.000 0.062 95 Y C -0.073 175.571 175.900 -0.427 0.000 1.050 95 Y CA -0.907 56.895 58.100 -0.497 0.000 1.709 95 Y CB 0.132 38.027 38.460 -0.942 0.000 1.054 95 Y HN -0.139 nan 8.280 nan 0.000 0.175 96 Y N 2.908 123.333 120.300 0.209 0.000 2.117 96 Y HA 0.022 4.573 4.550 0.001 0.000 0.380 96 Y C 0.230 176.179 175.900 0.082 0.000 1.241 96 Y CA 0.173 58.334 58.100 0.100 0.000 1.732 96 Y CB -0.035 38.454 38.460 0.048 0.000 1.453 96 Y HN 0.073 nan 8.280 nan 0.000 0.740 97 Q N 1.280 121.232 119.800 0.253 0.000 2.290 97 Q HA 0.296 4.636 4.340 0.001 0.000 0.259 97 Q C -2.607 173.456 176.000 0.105 0.000 0.941 97 Q CA -2.254 53.630 55.803 0.134 0.000 0.912 97 Q CB 1.156 29.947 28.738 0.089 0.000 1.244 97 Q HN 0.282 nan 8.270 nan 0.000 0.441 98 P HA -0.052 nan 4.420 nan 0.000 0.241 98 P C -0.163 177.131 177.300 -0.010 0.000 1.760 98 P CA -0.057 63.069 63.100 0.043 0.000 1.081 98 P CB -0.238 31.489 31.700 0.045 0.000 1.975 99 E N 1.579 121.770 120.200 -0.015 0.000 0.808 99 E HA -0.220 4.131 4.350 0.001 0.000 0.262 99 E C -0.569 175.935 176.600 -0.160 0.000 0.578 99 E CA 0.076 56.426 56.400 -0.084 0.000 0.872 99 E CB -0.465 29.217 29.700 -0.030 0.000 0.868 99 E HN 0.410 nan 8.360 nan 0.000 0.288 100 A N 4.080 126.787 122.820 -0.188 0.000 2.468 100 A HA 0.715 5.036 4.320 0.001 0.000 0.277 100 A C -1.349 176.093 177.584 -0.237 0.000 1.203 100 A CA -0.513 51.411 52.037 -0.188 0.000 0.932 100 A CB 1.123 20.049 19.000 -0.123 0.000 1.438 100 A HN 0.545 nan 8.150 nan 0.000 0.468 101 Y N -0.845 119.244 120.300 -0.352 0.000 2.358 101 Y HA 0.463 5.013 4.550 0.001 0.000 0.324 101 Y C -1.227 174.530 175.900 -0.238 0.000 1.123 101 Y CA -0.645 57.239 58.100 -0.359 0.000 1.067 101 Y CB 1.724 39.874 38.460 -0.517 0.000 1.230 101 Y HN 0.394 nan 8.280 nan 0.000 0.429 102 V N 10.341 129.808 119.914 -0.745 0.000 2.356 102 V HA 0.171 4.292 4.120 0.001 0.000 0.258 102 V C -1.770 173.857 176.094 -0.779 0.000 1.065 102 V CA -1.309 60.648 62.300 -0.571 0.000 0.935 102 V CB 0.873 32.489 31.823 -0.344 0.000 1.061 102 V HN 0.730 nan 8.190 nan 0.000 0.484 103 P HA -0.175 nan 4.420 nan 0.000 0.214 103 P C 1.459 178.741 177.300 -0.030 0.000 1.163 103 P CA 1.153 64.212 63.100 -0.069 0.000 0.883 103 P CB 0.287 32.073 31.700 0.143 0.000 0.788 104 Q N -0.593 119.174 119.800 -0.055 0.000 1.985 104 Q HA -0.129 4.212 4.340 0.001 0.000 0.207 104 Q C 1.947 177.923 176.000 -0.040 0.000 0.996 104 Q CA 2.323 58.110 55.803 -0.027 0.000 0.851 104 Q CB -2.121 26.595 28.738 -0.036 0.000 0.921 104 Q HN 0.229 nan 8.270 nan 0.000 0.418 105 T N 0.635 115.138 114.554 -0.086 0.000 3.320 105 T HA -0.041 4.310 4.350 0.001 0.000 0.258 105 T C -0.245 174.414 174.700 -0.068 0.000 1.176 105 T CA 0.627 62.685 62.100 -0.070 0.000 1.037 105 T CB -0.752 68.067 68.868 -0.081 0.000 0.958 105 T HN 0.415 nan 8.240 nan 0.000 0.545 106 D N 2.422 122.777 120.400 -0.075 0.000 2.859 106 D HA -0.148 4.492 4.640 0.001 0.000 0.215 106 D C -0.546 175.798 176.300 0.073 0.000 1.253 106 D CA 0.782 54.810 54.000 0.047 0.000 0.673 106 D CB -0.754 40.143 40.800 0.161 0.000 0.941 106 D HN 0.493 nan 8.370 nan 0.000 0.394 107 T N 0.107 114.540 114.554 -0.202 0.000 2.906 107 T HA 0.310 4.660 4.350 0.001 0.000 0.302 107 T C -0.460 174.302 174.700 0.102 0.000 1.002 107 T CA -0.857 61.251 62.100 0.013 0.000 0.988 107 T CB 0.827 69.666 68.868 -0.048 0.000 0.972 107 T HN 0.231 nan 8.240 nan 0.000 0.447 108 Y N 3.255 123.771 120.300 0.360 0.000 2.304 108 Y HA 0.594 5.144 4.550 0.001 0.000 0.327 108 Y C -0.758 175.249 175.900 0.178 0.000 1.209 108 Y CA -0.958 57.385 58.100 0.406 0.000 1.299 108 Y CB 0.645 39.291 38.460 0.310 0.000 1.249 108 Y HN 0.602 nan 8.280 nan 0.000 0.519 109 I N 4.977 125.453 120.570 -0.156 0.000 2.517 109 I HA 0.189 4.359 4.170 0.001 0.000 0.280 109 I C -0.623 175.449 176.117 -0.075 0.000 1.061 109 I CA -0.462 60.823 61.300 -0.025 0.000 1.091 109 I CB 1.517 39.474 38.000 -0.072 0.000 1.205 109 I HN 0.614 nan 8.210 nan 0.000 0.459 110 E N 3.931 124.302 120.200 0.284 0.000 2.409 110 E HA 0.060 4.410 4.350 0.001 0.000 0.257 110 E C 0.339 177.019 176.600 0.133 0.000 1.150 110 E CA -0.507 56.096 56.400 0.338 0.000 0.942 110 E CB 0.755 30.644 29.700 0.314 0.000 0.979 110 E HN 0.326 nan 8.360 nan 0.000 0.447 111 K N 2.887 123.359 120.400 0.120 0.000 2.146 111 K HA -0.092 4.228 4.320 0.001 0.000 0.220 111 K C -0.701 175.920 176.600 0.035 0.000 1.227 111 K CA 0.142 56.469 56.287 0.068 0.000 1.185 111 K CB -0.287 32.252 32.500 0.065 0.000 1.333 111 K HN 0.395 nan 8.250 nan 0.000 0.242 112 D N 2.541 122.958 120.400 0.029 0.000 2.365 112 D HA 0.203 4.844 4.640 0.001 0.000 0.237 112 D C -1.430 174.777 176.300 -0.156 0.000 1.190 112 D CA -0.051 53.931 54.000 -0.031 0.000 0.867 112 D CB 0.866 41.672 40.800 0.010 0.000 1.050 112 D HN 0.525 nan 8.370 nan 0.000 0.491 113 A N 4.623 127.247 122.820 -0.327 0.000 2.497 113 A HA 0.283 4.604 4.320 0.001 0.000 0.280 113 A C -0.389 176.778 177.584 -0.695 0.000 1.065 113 A CA -0.878 50.649 52.037 -0.851 0.000 0.781 113 A CB 1.289 19.969 19.000 -0.533 0.000 1.289 113 A HN 0.339 nan 8.150 nan 0.000 0.415 114 K N 1.682 121.569 120.400 -0.855 0.000 2.202 114 K HA 0.317 4.637 4.320 0.001 0.000 0.264 114 K C 0.007 176.304 176.600 -0.505 0.000 1.010 114 K CA -0.433 55.569 56.287 -0.474 0.000 0.940 114 K CB 0.831 33.131 32.500 -0.333 0.000 0.983 114 K HN 0.608 nan 8.250 nan 0.000 0.475 115 I N 3.438 123.876 120.570 -0.220 0.000 2.347 115 I HA -0.010 4.160 4.170 0.001 0.000 0.294 115 I C 0.335 176.416 176.117 -0.060 0.000 1.090 115 I CA -0.235 61.035 61.300 -0.050 0.000 1.314 115 I CB -0.283 37.753 38.000 0.060 0.000 1.423 115 I HN 0.252 nan 8.210 nan 0.000 0.503 116 N N 5.252 123.913 118.700 -0.065 0.000 3.091 116 N HA -0.004 4.737 4.740 0.001 0.000 0.301 116 N C 1.036 176.604 175.510 0.096 0.000 1.325 116 N CA -0.013 53.036 53.050 -0.002 0.000 1.143 116 N CB -0.177 38.298 38.487 -0.020 0.000 1.450 116 N HN 0.368 nan 8.380 nan 0.000 0.542 117 D N 0.754 121.202 120.400 0.080 0.000 6.734 117 D HA -0.338 4.302 4.640 0.001 0.000 0.249 117 D C 1.417 177.765 176.300 0.081 0.000 1.914 117 D CA 1.716 55.756 54.000 0.067 0.000 0.743 117 D CB 0.048 40.863 40.800 0.025 0.000 0.703 117 D HN 0.521 nan 8.370 nan 0.000 0.928 118 E N -0.761 119.490 120.200 0.085 0.000 2.086 118 E HA -0.236 4.115 4.350 0.001 0.000 0.205 118 E C 2.227 178.896 176.600 0.114 0.000 1.027 118 E CA 1.579 58.038 56.400 0.099 0.000 0.830 118 E CB -0.083 29.681 29.700 0.107 0.000 0.751 118 E HN 0.338 nan 8.360 nan 0.000 0.456 119 I N 1.417 122.073 120.570 0.142 0.000 2.043 119 I HA -0.336 3.834 4.170 0.001 0.000 0.231 119 I C 2.367 178.506 176.117 0.038 0.000 1.024 119 I CA 1.718 63.087 61.300 0.114 0.000 1.309 119 I CB -1.788 36.372 38.000 0.267 0.000 1.030 119 I HN 0.191 nan 8.210 nan 0.000 0.389 120 D N 0.932 121.381 120.400 0.082 0.000 2.191 120 D HA -0.269 4.372 4.640 0.001 0.000 0.190 120 D C 2.216 178.610 176.300 0.155 0.000 1.007 120 D CA 1.890 55.955 54.000 0.108 0.000 0.865 120 D CB -0.234 40.631 40.800 0.109 0.000 0.929 120 D HN 0.301 nan 8.370 nan 0.000 0.447 121 K N -0.281 120.170 120.400 0.086 0.000 2.034 121 K HA -0.194 4.127 4.320 0.001 0.000 0.214 121 K C 2.239 178.899 176.600 0.099 0.000 1.051 121 K CA 1.430 57.762 56.287 0.075 0.000 0.931 121 K CB -0.307 32.232 32.500 0.064 0.000 0.715 121 K HN 0.266 nan 8.250 nan 0.000 0.446 122 L N -0.258 121.006 121.223 0.068 0.000 2.418 122 L HA 0.026 4.366 4.340 0.001 0.000 0.218 122 L C 2.533 179.376 176.870 -0.046 0.000 1.125 122 L CA 0.302 55.168 54.840 0.043 0.000 0.835 122 L CB -0.158 41.938 42.059 0.062 0.000 0.953 122 L HN 0.089 nan 8.230 nan 0.000 0.454 123 R N -0.626 119.798 120.500 -0.127 0.000 2.075 123 R HA -0.124 4.216 4.340 0.001 0.000 0.232 123 R C 2.239 178.460 176.300 -0.132 0.000 1.126 123 R CA 1.383 57.266 56.100 -0.363 0.000 0.963 123 R CB -0.139 29.915 30.300 -0.410 0.000 0.858 123 R HN 0.342 nan 8.270 nan 0.000 0.435 124 H N -0.898 118.188 119.070 0.028 0.000 2.395 124 H HA -0.007 4.549 4.556 0.001 0.000 0.299 124 H C 2.141 177.482 175.328 0.022 0.000 1.070 124 H CA 1.820 57.924 56.048 0.093 0.000 1.356 124 H CB 0.167 29.957 29.762 0.047 0.000 1.401 124 H HN 0.206 nan 8.280 nan 0.000 0.524 125 S N 0.220 115.986 115.700 0.110 0.000 2.402 125 S HA -0.105 4.366 4.470 0.001 0.000 0.229 125 S C 2.415 177.014 174.600 -0.002 0.000 1.021 125 S CA 0.630 58.859 58.200 0.048 0.000 0.974 125 S CB -0.351 62.894 63.200 0.075 0.000 0.800 125 S HN 0.504 nan 8.310 nan 0.000 0.484 126 A N 2.753 125.576 122.820 0.004 0.000 1.858 126 A HA -0.104 4.216 4.320 0.001 0.000 0.216 126 A C 2.566 180.068 177.584 -0.137 0.000 1.190 126 A CA 2.316 54.341 52.037 -0.020 0.000 0.617 126 A CB -1.793 17.264 19.000 0.094 0.000 0.827 126 A HN 0.673 nan 8.150 nan 0.000 0.443 127 T N -0.708 113.750 114.554 -0.160 0.000 2.622 127 T HA -0.225 4.125 4.350 0.001 0.000 0.266 127 T C 2.099 176.738 174.700 -0.102 0.000 1.047 127 T CA 2.413 64.356 62.100 -0.261 0.000 1.159 127 T CB -1.260 67.404 68.868 -0.339 0.000 0.863 127 T HN 0.631 nan 8.240 nan 0.000 0.422 128 S N 3.516 119.126 115.700 -0.149 0.000 2.369 128 S HA -0.179 4.292 4.470 0.001 0.000 0.225 128 S C 2.565 177.060 174.600 -0.176 0.000 1.043 128 S CA 1.397 59.330 58.200 -0.445 0.000 1.074 128 S CB -1.454 61.302 63.200 -0.740 0.000 0.962 128 S HN 0.872 nan 8.310 nan 0.000 0.433 129 A N 2.013 124.750 122.820 -0.138 0.000 1.971 129 A HA -0.089 4.231 4.320 0.001 0.000 0.222 129 A C 2.210 179.727 177.584 -0.112 0.000 1.182 129 A CA 1.794 53.780 52.037 -0.084 0.000 0.649 129 A CB -1.070 17.891 19.000 -0.066 0.000 0.818 129 A HN 0.576 nan 8.150 nan 0.000 0.458 130 L N -2.369 118.710 121.223 -0.239 0.000 2.551 130 L HA -0.019 4.322 4.340 0.001 0.000 0.228 130 L C 1.374 177.985 176.870 -0.432 0.000 1.153 130 L CA 0.562 55.158 54.840 -0.406 0.000 0.851 130 L CB -0.277 41.360 42.059 -0.702 0.000 0.959 130 L HN 0.455 nan 8.230 nan 0.000 0.451 131 F N -1.079 118.875 119.950 0.006 0.000 2.682 131 F HA 0.095 4.622 4.527 0.001 0.000 0.308 131 F C 1.967 177.808 175.800 0.068 0.000 1.093 131 F CA -0.181 57.862 58.000 0.072 0.000 1.244 131 F CB 0.509 39.622 39.000 0.187 0.000 1.052 131 F HN 0.034 nan 8.300 nan 0.000 0.573 132 E N 0.955 121.261 120.200 0.175 0.000 2.182 132 E HA 0.149 4.499 4.350 0.001 0.000 0.195 132 E C 0.674 177.297 176.600 0.037 0.000 0.933 132 E CA -0.084 56.381 56.400 0.108 0.000 0.940 132 E CB 0.060 29.819 29.700 0.099 0.000 0.945 132 E HN 0.193 nan 8.360 nan 0.000 0.477 133 R N 0.440 120.942 120.500 0.003 0.000 2.700 133 R HA 0.467 4.808 4.340 0.001 0.000 0.253 133 R C 0.792 177.059 176.300 -0.056 0.000 1.091 133 R CA -0.766 55.315 56.100 -0.032 0.000 1.104 133 R CB 1.313 31.587 30.300 -0.044 0.000 1.202 133 R HN -0.084 nan 8.270 nan 0.000 0.532 134 R N 0.441 120.888 120.500 -0.089 0.000 2.437 134 R HA 0.030 4.371 4.340 0.001 0.000 0.257 134 R C -0.614 175.564 176.300 -0.202 0.000 0.927 134 R CA 0.397 56.438 56.100 -0.098 0.000 1.078 134 R CB 0.154 30.407 30.300 -0.079 0.000 1.161 134 R HN 0.808 nan 8.270 nan 0.000 0.529 135 D N 0.299 120.524 120.400 -0.292 0.000 2.622 135 D HA 0.175 4.815 4.640 0.001 0.000 0.262 135 D C -0.410 175.761 176.300 -0.215 0.000 1.189 135 D CA -0.377 53.264 54.000 -0.597 0.000 0.985 135 D CB 0.746 41.102 40.800 -0.740 0.000 0.994 135 D HN -0.275 nan 8.370 nan 0.000 0.513 136 V N 0.524 120.431 119.914 -0.011 0.000 2.864 136 V HA 0.564 4.685 4.120 0.001 0.000 0.314 136 V C -0.133 176.083 176.094 0.202 0.000 1.073 136 V CA -1.007 61.351 62.300 0.097 0.000 0.956 136 V CB 2.044 33.894 31.823 0.045 0.000 1.023 136 V HN 0.364 nan 8.190 nan 0.000 0.435 137 I N 3.324 123.992 120.570 0.163 0.000 2.534 137 I HA 0.561 4.732 4.170 0.001 0.000 0.288 137 I C -1.273 174.953 176.117 0.181 0.000 1.077 137 I CA -0.174 61.211 61.300 0.142 0.000 1.051 137 I CB 1.922 39.927 38.000 0.009 0.000 1.234 137 I HN 0.519 nan 8.210 nan 0.000 0.425 138 I N 7.036 127.732 120.570 0.210 0.000 2.478 138 I HA 0.411 4.582 4.170 0.001 0.000 0.287 138 I C -0.654 175.573 176.117 0.183 0.000 1.042 138 I CA -0.876 60.547 61.300 0.205 0.000 1.067 138 I CB 1.907 40.033 38.000 0.211 0.000 1.233 138 I HN 0.067 nan 8.210 nan 0.000 0.431 139 V N 5.010 125.040 119.914 0.194 0.000 2.567 139 V HA 0.875 4.995 4.120 0.001 0.000 0.289 139 V C 0.327 176.507 176.094 0.143 0.000 1.049 139 V CA -0.218 62.196 62.300 0.190 0.000 0.969 139 V CB 1.362 33.350 31.823 0.274 0.000 0.995 139 V HN 0.901 nan 8.190 nan 0.000 0.471 140 A N 3.060 125.945 122.820 0.107 0.000 2.610 140 A HA 0.828 5.148 4.320 0.001 0.000 0.291 140 A C -0.249 177.380 177.584 0.074 0.000 1.086 140 A CA -0.381 51.697 52.037 0.069 0.000 0.677 140 A CB 1.557 20.593 19.000 0.061 0.000 1.278 140 A HN 0.866 nan 8.150 nan 0.000 0.414 141 S N -0.291 115.463 115.700 0.090 0.000 2.671 141 S HA 0.427 4.897 4.470 0.001 0.000 0.272 141 S C 1.525 176.149 174.600 0.041 0.000 1.174 141 S CA -0.033 58.243 58.200 0.127 0.000 1.004 141 S CB 0.487 63.864 63.200 0.295 0.000 1.077 141 S HN 1.933 nan 8.310 nan 0.000 0.553 142 V N -0.695 119.209 119.914 -0.016 0.000 2.469 142 V HA -0.170 3.951 4.120 0.001 0.000 0.251 142 V C 2.361 178.268 176.094 -0.311 0.000 1.064 142 V CA 1.985 64.171 62.300 -0.190 0.000 1.066 142 V CB -2.123 29.540 31.823 -0.268 0.000 0.667 142 V HN 1.045 nan 8.190 nan 0.000 0.461 143 S N 1.514 117.041 115.700 -0.288 0.000 2.484 143 S HA -0.300 4.171 4.470 0.001 0.000 0.250 143 S C 1.901 176.523 174.600 0.035 0.000 0.995 143 S CA 1.616 59.748 58.200 -0.113 0.000 0.967 143 S CB -2.016 61.368 63.200 0.306 0.000 0.752 143 S HN 1.081 nan 8.310 nan 0.000 0.517 144 C N 1.521 120.786 119.300 -0.058 0.000 2.437 144 C HA 0.289 4.749 4.460 0.001 0.000 0.283 144 C C 2.122 177.036 174.990 -0.127 0.000 1.424 144 C CA -0.194 58.732 59.018 -0.153 0.000 1.782 144 C CB -1.927 25.694 27.740 -0.197 0.000 1.833 144 C HN 0.804 nan 8.230 nan 0.000 0.532 145 I N -3.191 117.279 120.570 -0.166 0.000 3.812 145 I HA 0.329 4.499 4.170 0.001 0.000 0.319 145 I C -0.019 176.029 176.117 -0.116 0.000 1.353 145 I CA -0.442 60.781 61.300 -0.129 0.000 1.170 145 I CB -0.814 37.073 38.000 -0.188 0.000 1.057 145 I HN 0.276 nan 8.210 nan 0.000 0.411 146 Y N 1.719 122.011 120.300 -0.012 0.000 2.320 146 Y HA 0.557 5.107 4.550 0.001 0.000 0.324 146 Y C 1.575 177.522 175.900 0.078 0.000 1.190 146 Y CA -0.878 57.243 58.100 0.035 0.000 1.215 146 Y CB 1.531 40.021 38.460 0.049 0.000 1.221 146 Y HN 0.220 nan 8.280 nan 0.000 0.486 147 G N 2.762 111.776 108.800 0.356 0.000 2.474 147 G HA2 0.282 4.243 3.960 0.001 0.000 0.233 147 G HA3 0.282 4.243 3.960 0.001 0.000 0.233 147 G C -1.194 173.898 174.900 0.320 0.000 1.278 147 G CA 0.052 45.335 45.100 0.305 0.000 0.861 147 G HN 0.460 nan 8.290 nan 0.000 0.567 148 L N 0.257 121.641 121.223 0.269 0.000 2.540 148 L HA 0.633 4.973 4.340 0.001 0.000 0.256 148 L C 0.775 177.666 176.870 0.034 0.000 1.001 148 L CA -0.285 54.545 54.840 -0.017 0.000 0.843 148 L CB 1.881 43.876 42.059 -0.107 0.000 1.436 148 L HN 0.836 nan 8.230 nan 0.000 0.410 149 G N 0.435 109.057 108.800 -0.297 0.000 2.630 149 G HA2 0.264 4.225 3.960 0.001 0.000 0.236 149 G HA3 0.264 4.225 3.960 0.001 0.000 0.236 149 G C -0.029 174.841 174.900 -0.049 0.000 1.248 149 G CA 0.240 45.329 45.100 -0.018 0.000 0.844 149 G HN 0.660 nan 8.290 nan 0.000 0.588 150 S N 1.244 116.810 115.700 -0.223 0.000 2.568 150 S HA 0.225 4.695 4.470 0.001 0.000 0.282 150 S C -0.463 173.876 174.600 -0.435 0.000 1.338 150 S CA -0.627 57.168 58.200 -0.675 0.000 1.045 150 S CB 1.272 64.025 63.200 -0.744 0.000 0.873 150 S HN 0.421 nan 8.310 nan 0.000 0.516 151 P HA 0.035 nan 4.420 nan 0.000 0.216 151 P C 0.856 178.010 177.300 -0.242 0.000 1.156 151 P CA 0.945 63.593 63.100 -0.752 0.000 0.855 151 P CB -0.054 30.971 31.700 -1.125 0.000 0.786 152 E N 0.734 120.802 120.200 -0.221 0.000 2.097 152 E HA -0.175 4.176 4.350 0.001 0.000 0.196 152 E C 1.341 177.891 176.600 -0.084 0.000 1.000 152 E CA 1.006 57.336 56.400 -0.118 0.000 0.804 152 E CB -0.801 28.841 29.700 -0.096 0.000 0.740 152 E HN 0.359 nan 8.360 nan 0.000 0.454 153 E N -0.645 119.508 120.200 -0.079 0.000 2.528 153 E HA -0.044 4.307 4.350 0.001 0.000 0.237 153 E C -0.257 176.404 176.600 0.101 0.000 1.408 153 E CA 0.183 56.576 56.400 -0.012 0.000 1.571 153 E CB 0.125 29.814 29.700 -0.018 0.000 1.395 153 E HN 0.378 nan 8.360 nan 0.000 0.438 154 Y N -0.934 119.308 120.300 -0.097 0.000 2.689 154 Y HA 0.117 4.668 4.550 0.001 0.000 0.265 154 Y C 1.513 177.315 175.900 -0.164 0.000 1.175 154 Y CA -0.091 57.985 58.100 -0.039 0.000 1.120 154 Y CB 0.513 39.014 38.460 0.070 0.000 1.356 154 Y HN -0.105 nan 8.280 nan 0.000 0.505 155 R N 1.380 121.759 120.500 -0.202 0.000 2.335 155 R HA 0.125 4.465 4.340 0.001 0.000 0.223 155 R C 0.439 176.603 176.300 -0.226 0.000 0.940 155 R CA 0.702 56.567 56.100 -0.393 0.000 1.086 155 R CB 0.086 30.059 30.300 -0.544 0.000 1.073 155 R HN 0.463 nan 8.270 nan 0.000 0.504 156 E N -1.452 118.651 120.200 -0.162 0.000 2.354 156 E HA 0.123 4.473 4.350 0.001 0.000 0.203 156 E C 0.421 176.947 176.600 -0.124 0.000 0.841 156 E CA 0.207 56.536 56.400 -0.118 0.000 1.046 156 E CB 0.240 29.895 29.700 -0.075 0.000 1.040 156 E HN 0.032 nan 8.360 nan 0.000 0.504 157 L N 0.960 122.107 121.223 -0.127 0.000 2.645 157 L HA 0.202 4.542 4.340 0.001 0.000 0.234 157 L C 0.203 176.950 176.870 -0.205 0.000 1.165 157 L CA 0.168 54.934 54.840 -0.124 0.000 0.944 157 L CB 0.228 42.244 42.059 -0.073 0.000 1.149 157 L HN -0.014 nan 8.230 nan 0.000 0.446 158 V N 0.421 120.170 119.914 -0.275 0.000 2.530 158 V HA 0.174 4.295 4.120 0.001 0.000 0.282 158 V C 0.281 176.205 176.094 -0.284 0.000 1.048 158 V CA -0.466 61.597 62.300 -0.396 0.000 0.997 158 V CB 1.544 33.071 31.823 -0.494 0.000 0.987 158 V HN -0.038 nan 8.190 nan 0.000 0.477 159 V N 7.025 126.763 119.914 -0.293 0.000 2.267 159 V HA 0.226 4.347 4.120 0.001 0.000 0.254 159 V C 0.755 176.753 176.094 -0.161 0.000 1.144 159 V CA 0.248 62.436 62.300 -0.187 0.000 0.992 159 V CB 0.423 32.157 31.823 -0.149 0.000 1.199 159 V HN 0.973 nan 8.190 nan 0.000 0.493 160 S N 6.777 122.405 115.700 -0.120 0.000 2.414 160 S HA 0.415 4.885 4.470 0.001 0.000 0.290 160 S C -0.438 174.124 174.600 -0.063 0.000 1.160 160 S CA -0.412 57.757 58.200 -0.051 0.000 1.069 160 S CB -0.168 63.014 63.200 -0.029 0.000 1.012 160 S HN 0.600 nan 8.310 nan 0.000 0.510 161 L N 6.090 127.296 121.223 -0.029 0.000 2.280 161 L HA 0.596 4.936 4.340 0.001 0.000 0.287 161 L C 0.729 177.523 176.870 -0.126 0.000 1.023 161 L CA -0.649 54.156 54.840 -0.058 0.000 0.819 161 L CB 1.032 43.081 42.059 -0.018 0.000 1.212 161 L HN 0.610 nan 8.230 nan 0.000 0.420 162 R N 1.617 122.003 120.500 -0.190 0.000 3.029 162 R HA 0.699 5.039 4.340 0.001 0.000 0.239 162 R C -1.108 175.124 176.300 -0.113 0.000 1.351 162 R CA -0.667 55.292 56.100 -0.235 0.000 1.052 162 R CB 2.289 32.392 30.300 -0.328 0.000 1.354 162 R HN 0.341 nan 8.270 nan 0.000 0.499 163 V N -1.912 117.948 119.914 -0.090 0.000 2.547 163 V HA 0.755 4.875 4.120 0.001 0.000 0.299 163 V C 0.869 176.932 176.094 -0.051 0.000 1.040 163 V CA 0.239 62.508 62.300 -0.052 0.000 0.913 163 V CB 1.129 32.934 31.823 -0.029 0.000 0.992 163 V HN 0.985 nan 8.190 nan 0.000 0.449 164 G N 3.100 111.877 108.800 -0.039 0.000 2.232 164 G HA2 -0.172 3.788 3.960 0.001 0.000 0.226 164 G HA3 -0.172 3.788 3.960 0.001 0.000 0.226 164 G C -0.128 174.750 174.900 -0.037 0.000 0.996 164 G CA 0.109 45.188 45.100 -0.035 0.000 0.626 164 G HN 1.190 nan 8.290 nan 0.000 0.509 165 M N 0.827 120.400 119.600 -0.046 0.000 2.409 165 M HA 0.832 5.313 4.480 0.001 0.000 0.329 165 M C -0.595 175.683 176.300 -0.037 0.000 1.180 165 M CA -0.752 54.521 55.300 -0.045 0.000 1.053 165 M CB 1.026 33.592 32.600 -0.058 0.000 1.586 165 M HN 0.032 nan 8.290 nan 0.000 0.461 166 E N 2.855 123.035 120.200 -0.033 0.000 2.113 166 E HA 0.720 5.071 4.350 0.001 0.000 0.273 166 E C -1.258 175.326 176.600 -0.028 0.000 0.924 166 E CA -0.233 56.150 56.400 -0.027 0.000 0.764 166 E CB 0.671 30.357 29.700 -0.023 0.000 1.104 166 E HN 0.646 nan 8.360 nan 0.000 0.406 167 I N 1.079 121.634 120.570 -0.026 0.000 2.569 167 I HA 0.279 4.449 4.170 0.001 0.000 0.290 167 I C 0.129 176.233 176.117 -0.021 0.000 1.088 167 I CA -1.398 59.887 61.300 -0.026 0.000 1.047 167 I CB 1.980 39.962 38.000 -0.030 0.000 1.237 167 I HN 0.356 nan 8.210 nan 0.000 0.421 168 E N 3.673 123.861 120.200 -0.020 0.000 2.492 168 E HA -0.110 4.240 4.350 0.001 0.000 0.266 168 E C 1.047 177.638 176.600 -0.016 0.000 1.187 168 E CA 0.426 56.816 56.400 -0.017 0.000 1.036 168 E CB 0.584 30.274 29.700 -0.017 0.000 0.994 168 E HN 0.615 nan 8.360 nan 0.000 0.468 169 R N 1.370 121.862 120.500 -0.013 0.000 2.297 169 R HA 0.147 4.487 4.340 0.001 0.000 0.197 169 R C 0.414 176.707 176.300 -0.011 0.000 0.943 169 R CA 1.041 57.134 56.100 -0.011 0.000 1.038 169 R CB 0.131 30.425 30.300 -0.009 0.000 0.957 169 R HN 0.347 nan 8.270 nan 0.000 0.484 170 N N -0.552 118.141 118.700 -0.013 0.000 2.159 170 N HA 0.240 4.980 4.740 0.001 0.000 0.217 170 N C 0.385 175.886 175.510 -0.016 0.000 1.223 170 N CA 0.635 53.677 53.050 -0.014 0.000 0.896 170 N CB 1.372 39.850 38.487 -0.015 0.000 1.064 170 N HN 0.320 nan 8.380 nan 0.000 0.518 171 A N 0.482 123.292 122.820 -0.017 0.000 1.903 171 A HA 0.011 4.332 4.320 0.001 0.000 0.213 171 A C 1.964 179.536 177.584 -0.020 0.000 1.185 171 A CA 0.724 52.749 52.037 -0.020 0.000 0.628 171 A CB -0.273 18.714 19.000 -0.022 0.000 0.830 171 A HN 0.191 nan 8.150 nan 0.000 0.446 172 L N -0.183 121.028 121.223 -0.019 0.000 2.240 172 L HA 0.086 4.426 4.340 0.001 0.000 0.211 172 L C 2.024 178.888 176.870 -0.011 0.000 1.106 172 L CA 1.775 56.603 54.840 -0.019 0.000 0.793 172 L CB -0.734 41.313 42.059 -0.020 0.000 0.927 172 L HN 0.364 nan 8.230 nan 0.000 0.446 173 L N -0.816 120.402 121.223 -0.007 0.000 2.261 173 L HA -0.156 4.184 4.340 0.001 0.000 0.216 173 L C 2.538 179.407 176.870 -0.001 0.000 1.114 173 L CA 1.579 56.419 54.840 -0.000 0.000 0.777 173 L CB -0.381 41.675 42.059 -0.005 0.000 0.910 173 L HN 0.302 nan 8.230 nan 0.000 0.440 174 R N -0.520 119.974 120.500 -0.009 0.000 2.064 174 R HA 0.058 4.398 4.340 0.001 0.000 0.221 174 R C 2.424 178.719 176.300 -0.009 0.000 1.136 174 R CA 0.906 56.999 56.100 -0.012 0.000 0.980 174 R CB -0.072 30.216 30.300 -0.020 0.000 0.876 174 R HN 0.380 nan 8.270 nan 0.000 0.437 175 R N 0.908 121.398 120.500 -0.016 0.000 2.200 175 R HA -0.120 4.220 4.340 0.001 0.000 0.234 175 R C 2.098 178.394 176.300 -0.008 0.000 1.127 175 R CA 0.773 56.861 56.100 -0.021 0.000 0.989 175 R CB -0.474 29.804 30.300 -0.035 0.000 0.869 175 R HN 0.243 nan 8.270 nan 0.000 0.459 176 L N 1.644 122.871 121.223 0.006 0.000 2.093 176 L HA -0.097 4.243 4.340 0.001 0.000 0.208 176 L C 1.986 178.909 176.870 0.088 0.000 1.085 176 L CA 1.664 56.525 54.840 0.035 0.000 0.755 176 L CB -0.171 41.910 42.059 0.036 0.000 0.904 176 L HN 0.081 nan 8.230 nan 0.000 0.435 177 V N -3.411 116.549 119.914 0.077 0.000 3.354 177 V HA 0.025 4.146 4.120 0.001 0.000 0.258 177 V C 1.761 177.903 176.094 0.079 0.000 1.159 177 V CA 0.497 62.864 62.300 0.112 0.000 1.125 177 V CB -0.448 31.387 31.823 0.020 0.000 0.774 177 V HN 0.155 nan 8.190 nan 0.000 0.464 178 D N 1.782 122.202 120.400 0.034 0.000 2.350 178 D HA 0.004 4.644 4.640 0.001 0.000 0.216 178 D C 1.001 177.316 176.300 0.025 0.000 0.968 178 D CA 1.042 55.047 54.000 0.007 0.000 0.894 178 D CB -0.040 40.754 40.800 -0.010 0.000 0.909 178 D HN 0.755 nan 8.370 nan 0.000 0.520 179 I N -3.957 116.649 120.570 0.061 0.000 3.158 179 I HA 0.380 4.550 4.170 0.001 0.000 0.344 179 I C 0.294 176.499 176.117 0.147 0.000 1.459 179 I CA -0.629 60.718 61.300 0.079 0.000 0.956 179 I CB -0.476 37.547 38.000 0.038 0.000 1.793 179 I HN -0.172 nan 8.210 nan 0.000 0.522 180 Q N 1.231 121.163 119.800 0.220 0.000 2.443 180 Q HA -0.247 4.094 4.340 0.001 0.000 0.362 180 Q C 0.113 176.247 176.000 0.223 0.000 1.423 180 Q CA 1.337 57.382 55.803 0.404 0.000 1.037 180 Q CB -3.056 26.000 28.738 0.531 0.000 1.208 180 Q HN 1.326 nan 8.270 nan 0.000 0.334 181 Y N -2.494 117.869 120.300 0.104 0.000 3.202 181 Y HA 0.120 4.670 4.550 0.001 0.000 0.360 181 Y C 1.079 177.006 175.900 0.044 0.000 1.233 181 Y CA 1.134 59.269 58.100 0.058 0.000 1.577 181 Y CB -0.159 38.331 38.460 0.051 0.000 1.129 181 Y HN 0.812 nan 8.280 nan 0.000 0.617 182 D N 3.273 123.597 120.400 -0.128 0.000 2.154 182 D HA 0.229 4.870 4.640 0.001 0.000 0.211 182 D C 1.521 177.692 176.300 -0.215 0.000 0.977 182 D CA 1.525 55.401 54.000 -0.206 0.000 0.869 182 D CB -0.269 40.480 40.800 -0.084 0.000 1.022 182 D HN 1.100 nan 8.370 nan 0.000 0.461 183 R N -1.169 119.303 120.500 -0.048 0.000 2.568 183 R HA 0.603 4.943 4.340 0.001 0.000 0.232 183 R C -0.150 176.212 176.300 0.102 0.000 1.412 183 R CA 0.627 56.739 56.100 0.020 0.000 1.492 183 R CB -1.325 28.972 30.300 -0.005 0.000 1.441 183 R HN 0.961 nan 8.270 nan 0.000 0.768 184 N N -0.577 118.256 118.700 0.221 0.000 2.598 184 N HA 0.508 5.248 4.740 0.001 0.000 0.309 184 N C 0.346 175.958 175.510 0.169 0.000 1.645 184 N CA 0.970 54.124 53.050 0.174 0.000 0.936 184 N CB 0.416 38.991 38.487 0.146 0.000 1.323 184 N HN 0.853 nan 8.380 nan 0.000 0.497 185 D N -1.047 119.456 120.400 0.172 0.000 2.797 185 D HA 0.779 5.419 4.640 0.001 0.000 0.151 185 D C 0.808 177.151 176.300 0.072 0.000 1.472 185 D CA 1.180 55.236 54.000 0.092 0.000 1.553 185 D CB -0.466 40.393 40.800 0.098 0.000 1.590 185 D HN 1.172 nan 8.370 nan 0.000 0.217 189 R N -0.929 119.584 120.500 0.022 0.000 4.304 189 R HA 0.782 5.122 4.340 0.001 0.000 0.239 189 R C 1.267 177.579 176.300 0.020 0.000 0.933 189 R CA 0.236 56.347 56.100 0.018 0.000 0.707 189 R CB -0.355 29.955 30.300 0.017 0.000 1.862 189 R HN 1.545 nan 8.270 nan 0.000 0.370 190 G N -0.737 108.073 108.800 0.018 0.000 3.371 190 G HA2 0.505 4.465 3.960 0.001 0.000 0.248 190 G HA3 0.505 4.465 3.960 0.001 0.000 0.248 190 G C 1.326 176.241 174.900 0.024 0.000 1.161 190 G CA 1.996 47.106 45.100 0.017 0.000 0.796 190 G HN 2.213 nan 8.290 nan 0.000 0.539 191 T N -0.698 113.875 114.554 0.032 0.000 13.594 191 T HA -0.221 4.129 4.350 0.001 0.000 0.419 191 T C 1.461 176.180 174.700 0.032 0.000 1.441 191 T CA 2.839 64.964 62.100 0.041 0.000 2.350 191 T CB -1.597 67.310 68.868 0.064 0.000 2.790 191 T HN 1.503 nan 8.240 nan 0.000 0.516 192 F N 1.850 121.819 119.950 0.031 0.000 2.749 192 F HA 0.757 5.285 4.527 0.001 0.000 0.380 192 F C 0.780 176.591 175.800 0.017 0.000 1.365 192 F CA 0.962 58.977 58.000 0.024 0.000 1.186 192 F CB -0.408 38.609 39.000 0.028 0.000 1.080 192 F HN 1.429 nan 8.300 nan 0.000 0.513 193 R N 0.850 121.358 120.500 0.014 0.000 2.246 193 R HA 0.939 5.279 4.340 0.001 0.000 0.332 193 R C -0.552 175.751 176.300 0.007 0.000 0.974 193 R CA 0.244 56.349 56.100 0.008 0.000 0.837 193 R CB 0.245 30.549 30.300 0.006 0.000 1.145 193 R HN 2.371 nan 8.270 nan 0.000 0.467 194 V N -2.023 117.894 119.914 0.005 0.000 3.314 194 V HA 0.815 4.935 4.120 0.001 0.000 0.278 194 V C 0.932 177.028 176.094 0.002 0.000 1.709 194 V CA 0.439 62.741 62.300 0.004 0.000 1.042 194 V CB 0.421 32.247 31.823 0.005 0.000 1.231 194 V HN 2.194 nan 8.190 nan 0.000 0.476 195 R N 0.029 120.530 120.500 0.002 0.000 1.300 195 R HA 0.370 4.710 4.340 0.001 0.000 0.029 195 R C 1.926 178.225 176.300 -0.001 0.000 0.959 195 R CA 3.457 59.557 56.100 0.001 0.000 1.961 195 R CB -2.245 28.056 30.300 0.001 0.000 0.177 195 R HN 3.594 nan 8.270 nan 0.000 0.727 196 G N -0.879 107.920 108.800 -0.002 0.000 2.855 196 G HA2 0.411 4.371 3.960 0.001 0.000 0.352 196 G HA3 0.411 4.371 3.960 0.001 0.000 0.352 196 G C 0.415 175.312 174.900 -0.004 0.000 1.415 196 G CA 2.255 47.353 45.100 -0.003 0.000 0.871 196 G HN 3.470 nan 8.290 nan 0.000 0.543 197 D N -3.787 116.610 120.400 -0.006 0.000 3.817 197 D HA 0.338 4.978 4.640 0.001 0.000 0.229 197 D C 2.428 178.724 176.300 -0.007 0.000 1.564 197 D CA 2.341 56.337 54.000 -0.006 0.000 1.134 197 D CB -1.270 39.527 40.800 -0.005 0.000 0.722 197 D HN 2.343 nan 8.370 nan 0.000 0.891 198 V N -1.057 118.853 119.914 -0.008 0.000 3.129 198 V HA 0.641 4.762 4.120 0.001 0.000 0.259 198 V C 2.188 178.277 176.094 -0.009 0.000 1.116 198 V CA 3.189 65.483 62.300 -0.009 0.000 1.127 198 V CB -0.564 31.253 31.823 -0.009 0.000 0.742 198 V HN 2.355 nan 8.190 nan 0.000 0.474 199 V N 0.651 120.561 119.914 -0.007 0.000 2.250 199 V HA 0.810 4.931 4.120 0.001 0.000 0.268 199 V C 0.034 176.126 176.094 -0.004 0.000 1.043 199 V CA 0.265 62.562 62.300 -0.005 0.000 0.814 199 V CB -0.101 31.720 31.823 -0.004 0.000 1.072 199 V HN 0.588 nan 8.190 nan 0.000 0.451 200 E N 1.869 122.067 120.200 -0.004 0.000 3.466 200 E HA 0.880 5.230 4.350 0.001 0.000 0.265 200 E C 0.742 177.342 176.600 0.000 0.000 1.291 200 E CA 0.882 57.281 56.400 -0.002 0.000 1.226 200 E CB 1.252 30.950 29.700 -0.003 0.000 1.404 200 E HN 1.871 nan 8.360 nan 0.000 0.697 201 I N -3.338 117.233 120.570 0.002 0.000 4.398 201 I HA 0.600 4.771 4.170 0.001 0.000 0.240 201 I C 1.918 178.039 176.117 0.006 0.000 1.053 201 I CA 1.327 62.629 61.300 0.004 0.000 1.750 201 I CB -0.734 37.269 38.000 0.005 0.000 1.561 201 I HN 2.394 nan 8.210 nan 0.000 0.454 202 F N -1.475 118.480 119.950 0.008 0.000 2.130 202 F HA 0.357 4.884 4.527 0.001 0.000 0.464 202 F C -1.471 174.337 175.800 0.014 0.000 1.225 202 F CA -0.012 57.994 58.000 0.011 0.000 1.505 202 F CB -2.377 36.627 39.000 0.008 0.000 2.379 202 F HN 1.308 nan 8.300 nan 0.000 0.732 203 P HA 0.831 nan 4.420 nan 0.000 0.203 203 P C 0.119 177.432 177.300 0.022 0.000 1.874 203 P CA 0.818 63.929 63.100 0.019 0.000 1.058 203 P CB 0.312 32.023 31.700 0.018 0.000 1.848 204 A N 1.514 124.347 122.820 0.022 0.000 2.618 204 A HA 0.535 4.855 4.320 0.001 0.000 0.293 204 A C 1.239 178.836 177.584 0.022 0.000 1.413 204 A CA 1.123 53.174 52.037 0.023 0.000 1.074 204 A CB -1.056 17.956 19.000 0.020 0.000 1.087 204 A HN 0.597 nan 8.150 nan 0.000 0.553 205 S N 1.910 117.622 115.700 0.020 0.000 2.626 205 S HA 0.611 5.081 4.470 0.001 0.000 0.243 205 S C 0.913 175.516 174.600 0.004 0.000 1.116 205 S CA -0.270 57.939 58.200 0.015 0.000 1.089 205 S CB -0.119 63.090 63.200 0.016 0.000 1.180 205 S HN 0.910 nan 8.310 nan 0.000 0.523 206 R N 2.042 122.539 120.500 -0.005 0.000 3.744 206 R HA -0.132 4.208 4.340 0.001 0.000 0.136 206 R C -0.842 175.428 176.300 -0.050 0.000 0.321 206 R CA 1.010 57.094 56.100 -0.027 0.000 0.700 206 R CB -1.364 28.913 30.300 -0.039 0.000 1.354 206 R HN 0.721 nan 8.270 nan 0.000 0.427 207 D N 2.659 123.040 120.400 -0.031 0.000 2.462 207 D HA 0.013 4.653 4.640 0.001 0.000 0.221 207 D C 0.200 176.462 176.300 -0.064 0.000 1.173 207 D CA -0.470 53.509 54.000 -0.036 0.000 0.831 207 D CB 0.422 41.238 40.800 0.026 0.000 1.001 207 D HN 0.416 nan 8.370 nan 0.000 0.499 208 E N -0.140 120.003 120.200 -0.095 0.000 5.333 208 E HA -0.394 3.956 4.350 0.001 0.000 0.166 208 E C 1.496 178.106 176.600 0.017 0.000 1.305 208 E CA 2.472 58.806 56.400 -0.110 0.000 2.018 208 E CB -2.230 27.233 29.700 -0.394 0.000 1.888 208 E HN 0.857 nan 8.360 nan 0.000 0.334 209 H N -1.784 117.327 119.070 0.069 0.000 2.567 209 H HA 0.376 4.932 4.556 0.001 0.000 0.276 209 H C 1.795 177.171 175.328 0.080 0.000 1.016 209 H CA 2.230 58.345 56.048 0.111 0.000 1.186 209 H CB -0.611 29.225 29.762 0.124 0.000 1.351 209 H HN 0.909 nan 8.280 nan 0.000 0.605 210 C N -0.519 118.820 119.300 0.064 0.000 2.382 210 C HA 0.555 5.015 4.460 0.001 0.000 0.306 210 C C 1.532 176.548 174.990 0.043 0.000 1.104 210 C CA 0.061 59.115 59.018 0.060 0.000 0.706 210 C CB -1.220 26.560 27.740 0.067 0.000 1.708 210 C HN 1.065 nan 8.230 nan 0.000 0.761 211 I N -0.206 120.383 120.570 0.032 0.000 3.616 211 I HA 0.596 4.766 4.170 0.001 0.000 0.306 211 I C 1.592 177.726 176.117 0.028 0.000 1.232 211 I CA 1.465 62.777 61.300 0.019 0.000 1.182 211 I CB -1.483 36.517 38.000 -0.000 0.000 1.007 211 I HN 1.030 nan 8.210 nan 0.000 0.479 212 R N 0.575 121.099 120.500 0.039 0.000 2.823 212 R HA 0.681 5.021 4.340 0.001 0.000 0.250 212 R C 1.112 177.433 176.300 0.034 0.000 1.332 212 R CA 0.870 56.995 56.100 0.041 0.000 1.259 212 R CB -1.999 28.332 30.300 0.051 0.000 1.225 212 R HN 2.355 nan 8.270 nan 0.000 0.545 213 V N -2.223 117.708 119.914 0.028 0.000 5.198 213 V HA -0.008 4.112 4.120 0.001 0.000 0.348 213 V C 0.693 176.804 176.094 0.027 0.000 0.661 213 V CA 2.313 64.627 62.300 0.025 0.000 1.358 213 V CB -2.481 29.356 31.823 0.023 0.000 1.628 213 V HN 0.925 nan 8.190 nan 0.000 0.466 214 E N 3.171 123.389 120.200 0.029 0.000 2.441 214 E HA 0.738 5.088 4.350 0.001 0.000 0.212 214 E C 1.966 178.583 176.600 0.029 0.000 0.840 214 E CA 1.318 57.737 56.400 0.032 0.000 1.143 214 E CB -0.100 29.624 29.700 0.040 0.000 1.153 214 E HN 2.738 nan 8.360 nan 0.000 0.539 215 F N -0.096 119.870 119.950 0.027 0.000 1.968 215 F HA 0.222 4.749 4.527 0.001 0.000 0.144 215 F C 0.494 176.310 175.800 0.026 0.000 0.990 215 F CA -0.059 57.956 58.000 0.025 0.000 0.644 215 F CB -2.441 36.572 39.000 0.021 0.000 0.776 215 F HN 1.189 nan 8.300 nan 0.000 0.753 216 F N 3.704 123.672 119.950 0.029 0.000 2.404 216 F HA 0.767 5.294 4.527 0.001 0.000 0.358 216 F C 0.565 176.379 175.800 0.024 0.000 1.120 216 F CA -1.025 56.992 58.000 0.029 0.000 1.144 216 F CB 1.077 40.099 39.000 0.036 0.000 1.133 216 F HN 1.886 nan 8.300 nan 0.000 0.495 217 G N 0.723 109.535 108.800 0.021 0.000 2.343 217 G HA2 0.548 4.508 3.960 0.001 0.000 0.319 217 G HA3 0.548 4.508 3.960 0.001 0.000 0.319 217 G C -0.593 174.316 174.900 0.015 0.000 1.126 217 G CA 0.419 45.528 45.100 0.016 0.000 0.889 217 G HN 1.372 nan 8.290 nan 0.000 0.457 218 D N 0.273 120.680 120.400 0.011 0.000 2.405 218 D HA 0.603 5.243 4.640 0.001 0.000 0.264 218 D C 0.167 176.468 176.300 0.002 0.000 1.240 218 D CA 0.044 54.048 54.000 0.007 0.000 0.893 218 D CB 0.254 41.057 40.800 0.005 0.000 1.198 218 D HN 0.912 nan 8.370 nan 0.000 0.514 219 E N -0.009 120.192 120.200 0.002 0.000 2.166 219 E HA 0.708 5.058 4.350 0.001 0.000 0.279 219 E C 1.370 177.968 176.600 -0.003 0.000 1.095 219 E CA 0.058 56.458 56.400 -0.000 0.000 0.888 219 E CB -0.487 29.214 29.700 0.002 0.000 1.041 219 E HN 2.262 nan 8.360 nan 0.000 0.414 220 I N 0.396 120.962 120.570 -0.006 0.000 4.891 220 I HA 0.192 4.362 4.170 0.001 0.000 0.126 220 I C 0.597 176.707 176.117 -0.012 0.000 1.208 220 I CA 1.554 62.848 61.300 -0.010 0.000 2.657 220 I CB -2.566 35.429 38.000 -0.009 0.000 1.997 220 I HN 1.464 nan 8.210 nan 0.000 0.324 226 E N 2.882 123.091 120.200 0.015 0.000 3.102 226 E HA 0.199 4.550 4.350 0.001 0.000 0.235 226 E C -0.048 176.567 176.600 0.025 0.000 0.995 226 E CA 0.987 57.402 56.400 0.025 0.000 0.950 226 E CB -0.670 29.052 29.700 0.037 0.000 0.905 226 E HN 1.418 nan 8.360 nan 0.000 0.553 227 V N -0.526 119.403 119.914 0.024 0.000 2.614 227 V HA 0.210 4.330 4.120 0.001 0.000 0.281 227 V C -0.686 175.422 176.094 0.023 0.000 1.031 227 V CA -1.360 60.954 62.300 0.023 0.000 0.899 227 V CB 1.004 32.838 31.823 0.018 0.000 1.037 227 V HN 0.285 nan 8.190 nan 0.000 0.456 228 D N 3.254 123.670 120.400 0.027 0.000 2.648 228 D HA 0.460 5.100 4.640 0.001 0.000 0.229 228 D C 0.731 177.044 176.300 0.023 0.000 1.119 228 D CA 1.657 55.673 54.000 0.027 0.000 0.850 228 D CB 1.506 42.324 40.800 0.030 0.000 1.169 228 D HN 1.002 nan 8.370 nan 0.000 0.489 229 A N 2.471 125.305 122.820 0.022 0.000 3.533 229 A HA 0.873 5.194 4.320 0.001 0.000 0.189 229 A C -0.317 177.278 177.584 0.019 0.000 1.339 229 A CA -0.159 51.890 52.037 0.019 0.000 1.552 229 A CB 0.167 19.178 19.000 0.018 0.000 1.591 229 A HN 0.523 nan 8.150 nan 0.000 0.603 230 L N -4.531 116.703 121.223 0.018 0.000 2.964 230 L HA 0.224 4.564 4.340 0.001 0.000 0.313 230 L C 0.188 177.068 176.870 0.016 0.000 0.813 230 L CA 0.311 55.162 54.840 0.018 0.000 1.100 230 L CB 0.570 42.639 42.059 0.017 0.000 1.701 230 L HN 0.581 nan 8.230 nan 0.000 0.348 231 T N -0.824 113.739 114.554 0.015 0.000 3.086 231 T HA 0.305 4.655 4.350 0.001 0.000 0.250 231 T C 0.503 175.210 174.700 0.012 0.000 1.074 231 T CA 0.550 62.659 62.100 0.014 0.000 0.988 231 T CB 0.385 69.261 68.868 0.013 0.000 0.988 231 T HN 0.684 nan 8.240 nan 0.000 0.530 232 G N 1.201 110.008 108.800 0.012 0.000 2.446 232 G HA2 0.464 4.424 3.960 0.001 0.000 0.200 232 G HA3 0.464 4.424 3.960 0.001 0.000 0.200 232 G C -0.043 174.864 174.900 0.011 0.000 1.707 232 G CA -0.314 44.793 45.100 0.011 0.000 0.697 232 G HN 0.276 nan 8.290 nan 0.000 0.675 233 K N -0.704 119.703 120.400 0.011 0.000 2.349 233 K HA 0.654 4.974 4.320 0.001 0.000 0.243 233 K C -0.840 175.767 176.600 0.012 0.000 1.058 233 K CA -0.764 55.530 56.287 0.011 0.000 0.871 233 K CB 2.715 35.221 32.500 0.010 0.000 1.337 233 K HN 0.070 nan 8.250 nan 0.000 0.469 234 V N 1.727 121.648 119.914 0.012 0.000 3.133 234 V HA 0.367 4.487 4.120 0.001 0.000 0.305 234 V C -0.547 175.555 176.094 0.013 0.000 1.084 234 V CA -0.128 62.180 62.300 0.013 0.000 1.089 234 V CB 0.328 32.158 31.823 0.012 0.000 1.073 234 V HN 0.625 nan 8.190 nan 0.000 0.477 235 L N 0.592 121.824 121.223 0.015 0.000 2.781 235 L HA 0.759 5.100 4.340 0.001 0.000 0.256 235 L C -0.417 176.463 176.870 0.016 0.000 0.930 235 L CA -0.119 54.730 54.840 0.015 0.000 0.967 235 L CB 0.834 42.901 42.059 0.015 0.000 1.551 235 L HN 1.214 nan 8.230 nan 0.000 0.445 236 G N 0.781 109.590 108.800 0.015 0.000 3.138 236 G HA2 0.098 4.058 3.960 0.001 0.000 0.685 236 G HA3 0.098 4.058 3.960 0.001 0.000 0.685 236 G C -0.742 174.170 174.900 0.019 0.000 0.995 236 G CA -0.280 44.830 45.100 0.017 0.000 0.849 236 G HN 0.914 nan 8.290 nan 0.000 0.537 237 E N 1.216 121.427 120.200 0.019 0.000 2.191 237 E HA 0.782 5.133 4.350 0.001 0.000 0.274 237 E C 0.828 177.444 176.600 0.026 0.000 0.948 237 E CA -0.531 55.882 56.400 0.021 0.000 0.802 237 E CB 1.087 30.798 29.700 0.018 0.000 1.137 237 E HN 0.586 nan 8.360 nan 0.000 0.397 238 R N 1.314 121.833 120.500 0.031 0.000 2.855 238 R HA 0.347 4.687 4.340 0.001 0.000 0.266 238 R C -0.308 176.019 176.300 0.046 0.000 1.034 238 R CA -0.488 55.637 56.100 0.043 0.000 0.944 238 R CB 1.578 31.908 30.300 0.050 0.000 1.219 238 R HN 0.604 nan 8.270 nan 0.000 0.474 239 E N 0.257 120.497 120.200 0.066 0.000 2.744 239 E HA 0.069 4.420 4.350 0.001 0.000 0.210 239 E C -0.716 175.950 176.600 0.111 0.000 0.950 239 E CA -0.064 56.373 56.400 0.061 0.000 1.282 239 E CB 0.096 29.825 29.700 0.048 0.000 1.123 239 E HN 0.747 nan 8.360 nan 0.000 0.544 240 H N -0.566 118.507 119.070 0.005 0.000 3.267 240 H HA 0.450 5.006 4.556 0.001 0.000 0.319 240 H C -2.005 173.328 175.328 0.009 0.000 1.191 240 H CA -0.522 55.527 56.048 0.003 0.000 1.562 240 H CB 1.429 31.194 29.762 0.005 0.000 2.076 240 H HN 0.004 nan 8.280 nan 0.000 0.429 241 V N 3.347 123.444 119.914 0.305 0.000 3.166 241 V HA 0.941 5.061 4.120 0.001 0.000 0.317 241 V C -0.897 175.278 176.094 0.134 0.000 1.136 241 V CA 0.072 62.463 62.300 0.152 0.000 1.035 241 V CB 1.814 33.688 31.823 0.085 0.000 1.110 241 V HN 0.838 nan 8.190 nan 0.000 0.450 242 A N 3.865 126.709 122.820 0.040 0.000 2.437 242 A HA 0.761 5.081 4.320 0.001 0.000 0.293 242 A C -1.355 176.126 177.584 -0.171 0.000 1.038 242 A CA -0.485 51.491 52.037 -0.101 0.000 0.708 242 A CB 1.044 19.974 19.000 -0.115 0.000 1.251 242 A HN 0.535 nan 8.150 nan 0.000 0.409 243 I N 1.922 122.306 120.570 -0.310 0.000 2.412 243 I HA 0.538 4.708 4.170 0.001 0.000 0.296 243 I C -0.864 174.953 176.117 -0.500 0.000 0.987 243 I CA -0.379 60.787 61.300 -0.222 0.000 1.180 243 I CB 1.041 38.975 38.000 -0.110 0.000 1.340 243 I HN 0.536 nan 8.210 nan 0.000 0.455 244 F N 4.644 124.545 119.950 -0.081 0.000 2.507 244 F HA 0.546 5.074 4.527 0.001 0.000 0.327 244 F C -1.857 173.882 175.800 -0.102 0.000 1.068 244 F CA -2.185 55.711 58.000 -0.173 0.000 0.965 244 F CB 0.734 39.663 39.000 -0.118 0.000 1.192 244 F HN 0.251 nan 8.300 nan 0.000 0.476 245 P HA 0.044 nan 4.420 nan 0.000 0.267 245 P C -0.374 177.037 177.300 0.184 0.000 1.195 245 P CA 0.158 63.316 63.100 0.098 0.000 0.773 245 P CB 0.566 32.348 31.700 0.137 0.000 0.837 246 A N 0.391 123.273 122.820 0.102 0.000 2.423 246 A HA 0.346 4.666 4.320 0.001 0.000 0.246 246 A C 0.711 178.336 177.584 0.068 0.000 1.278 246 A CA 0.456 52.483 52.037 -0.015 0.000 0.903 246 A CB -0.186 18.742 19.000 -0.120 0.000 0.997 246 A HN 0.434 nan 8.150 nan 0.000 0.510 247 S N -2.291 113.510 115.700 0.168 0.000 2.556 247 S HA 0.504 4.975 4.470 0.001 0.000 0.271 247 S C -0.010 174.611 174.600 0.036 0.000 1.135 247 S CA -0.504 57.761 58.200 0.109 0.000 0.858 247 S CB 0.843 64.177 63.200 0.224 0.000 1.114 247 S HN 0.466 nan 8.310 nan 0.000 0.468 248 H N 1.598 120.694 119.070 0.044 0.000 2.563 248 H HA 0.318 4.875 4.556 0.001 0.000 0.264 248 H C -0.035 175.142 175.328 -0.251 0.000 0.957 248 H CA 0.517 56.439 56.048 -0.210 0.000 1.173 248 H CB 0.259 29.701 29.762 -0.533 0.000 1.420 248 H HN 0.480 nan 8.280 nan 0.000 0.551 249 F N 0.782 120.874 119.950 0.236 0.000 2.837 249 F HA 0.212 4.739 4.527 0.001 0.000 0.298 249 F C 0.107 176.023 175.800 0.192 0.000 1.161 249 F CA -0.481 57.639 58.000 0.201 0.000 1.353 249 F CB 0.607 39.718 39.000 0.185 0.000 0.951 249 F HN -0.108 nan 8.300 nan 0.000 0.508 250 V N 0.623 120.725 119.914 0.312 0.000 2.732 250 V HA 0.358 4.479 4.120 0.001 0.000 0.297 250 V C 0.369 176.571 176.094 0.181 0.000 1.060 250 V CA 0.233 62.678 62.300 0.242 0.000 1.038 250 V CB 1.692 33.639 31.823 0.207 0.000 1.003 250 V HN 0.311 nan 8.190 nan 0.000 0.481 251 T N 4.385 119.013 114.554 0.124 0.000 2.883 251 T HA 0.515 4.865 4.350 0.001 0.000 0.296 251 T C -0.714 174.008 174.700 0.038 0.000 1.117 251 T CA -0.979 61.171 62.100 0.083 0.000 1.006 251 T CB 1.462 70.382 68.868 0.086 0.000 1.191 251 T HN 0.616 nan 8.240 nan 0.000 0.508 252 R N 1.363 121.878 120.500 0.025 0.000 2.441 252 R HA 0.326 4.666 4.340 0.001 0.000 0.284 252 R C 1.270 177.565 176.300 -0.007 0.000 1.070 252 R CA -0.685 55.417 56.100 0.003 0.000 1.047 252 R CB 1.106 31.406 30.300 -0.000 0.000 1.016 252 R HN 0.866 nan 8.270 nan 0.000 0.477 253 E N 2.282 122.469 120.200 -0.022 0.000 2.065 253 E HA -0.280 4.071 4.350 0.001 0.000 0.201 253 E C 0.878 177.464 176.600 -0.024 0.000 1.016 253 E CA 1.539 57.920 56.400 -0.032 0.000 0.818 253 E CB 0.229 29.905 29.700 -0.040 0.000 0.749 253 E HN 0.523 nan 8.360 nan 0.000 0.453 254 E N 0.419 120.608 120.200 -0.018 0.000 2.267 254 E HA -0.165 4.185 4.350 0.001 0.000 0.197 254 E C 1.849 178.446 176.600 -0.005 0.000 0.998 254 E CA 0.857 57.249 56.400 -0.013 0.000 0.830 254 E CB -0.077 29.617 29.700 -0.011 0.000 0.751 254 E HN 0.288 nan 8.360 nan 0.000 0.491 255 K N -0.369 120.032 120.400 0.001 0.000 2.128 255 K HA 0.016 4.337 4.320 0.001 0.000 0.202 255 K C 2.133 178.742 176.600 0.014 0.000 1.050 255 K CA 0.621 56.916 56.287 0.014 0.000 0.966 255 K CB -0.058 32.457 32.500 0.025 0.000 0.759 255 K HN 0.002 nan 8.250 nan 0.000 0.454 256 M N 1.316 120.918 119.600 0.003 0.000 2.080 256 M HA -0.203 4.278 4.480 0.001 0.000 0.260 256 M C 1.871 178.154 176.300 -0.027 0.000 1.068 256 M CA 1.654 56.948 55.300 -0.011 0.000 1.109 256 M CB -0.110 32.472 32.600 -0.029 0.000 1.342 256 M HN -0.043 nan 8.290 nan 0.000 0.405 257 R N -0.451 120.031 120.500 -0.029 0.000 2.113 257 R HA -0.210 4.130 4.340 0.001 0.000 0.244 257 R C 2.206 178.489 176.300 -0.027 0.000 1.142 257 R CA 2.058 58.138 56.100 -0.034 0.000 0.953 257 R CB -0.905 29.378 30.300 -0.028 0.000 0.860 257 R HN 0.443 nan 8.270 nan 0.000 0.438 258 L N 0.197 121.414 121.223 -0.011 0.000 2.109 258 L HA 0.009 4.350 4.340 0.001 0.000 0.207 258 L C 2.202 179.077 176.870 0.007 0.000 1.086 258 L CA 1.719 56.559 54.840 0.000 0.000 0.760 258 L CB -0.527 41.541 42.059 0.015 0.000 0.910 258 L HN 0.132 nan 8.230 nan 0.000 0.437 259 A N 0.253 123.082 122.820 0.016 0.000 1.859 259 A HA -0.265 4.055 4.320 0.001 0.000 0.217 259 A C 2.261 179.814 177.584 -0.051 0.000 1.198 259 A CA 2.416 54.472 52.037 0.033 0.000 0.629 259 A CB -1.056 17.976 19.000 0.054 0.000 0.830 259 A HN 0.475 nan 8.150 nan 0.000 0.446 260 I N -0.258 120.262 120.570 -0.083 0.000 2.113 260 I HA -0.441 3.729 4.170 0.001 0.000 0.242 260 I C 2.894 178.939 176.117 -0.120 0.000 1.057 260 I CA 2.192 63.413 61.300 -0.131 0.000 1.314 260 I CB -0.687 37.246 38.000 -0.112 0.000 1.022 260 I HN 0.512 nan 8.210 nan 0.000 0.408 261 Q N 0.210 119.966 119.800 -0.074 0.000 2.077 261 Q HA -0.245 4.095 4.340 0.001 0.000 0.206 261 Q C 2.082 178.046 176.000 -0.060 0.000 0.989 261 Q CA 1.686 57.455 55.803 -0.056 0.000 0.853 261 Q CB -0.407 28.315 28.738 -0.028 0.000 0.907 261 Q HN 0.534 nan 8.270 nan 0.000 0.418 262 N N 0.802 119.472 118.700 -0.050 0.000 2.069 262 N HA -0.124 4.617 4.740 0.001 0.000 0.191 262 N C 1.890 177.280 175.510 -0.200 0.000 1.031 262 N CA 1.024 54.057 53.050 -0.029 0.000 0.852 262 N CB -0.297 38.250 38.487 0.100 0.000 1.018 262 N HN 0.228 nan 8.380 nan 0.000 0.423 263 I N 1.572 121.855 120.570 -0.478 0.000 2.087 263 I HA -0.311 3.859 4.170 0.001 0.000 0.240 263 I C 2.095 178.078 176.117 -0.222 0.000 1.054 263 I CA 1.500 62.441 61.300 -0.598 0.000 1.311 263 I CB -0.827 36.920 38.000 -0.421 0.000 1.024 263 I HN 0.279 nan 8.210 nan 0.000 0.402 264 E N 0.393 120.503 120.200 -0.150 0.000 2.065 264 E HA -0.326 4.024 4.350 0.001 0.000 0.201 264 E C 2.232 178.811 176.600 -0.036 0.000 1.016 264 E CA 1.695 58.049 56.400 -0.076 0.000 0.818 264 E CB -0.192 29.466 29.700 -0.069 0.000 0.749 264 E HN 0.472 nan 8.360 nan 0.000 0.453 265 Q N 0.158 119.943 119.800 -0.025 0.000 2.152 265 Q HA -0.239 4.101 4.340 0.001 0.000 0.206 265 Q C 2.098 178.114 176.000 0.027 0.000 0.985 265 Q CA 1.496 57.304 55.803 0.007 0.000 0.863 265 Q CB 0.060 28.812 28.738 0.023 0.000 0.904 265 Q HN 0.259 nan 8.270 nan 0.000 0.422 266 E N 0.044 120.267 120.200 0.037 0.000 2.021 266 E HA -0.171 4.180 4.350 0.001 0.000 0.189 266 E C 2.109 178.743 176.600 0.057 0.000 0.980 266 E CA 0.835 57.280 56.400 0.075 0.000 0.803 266 E CB -0.157 29.633 29.700 0.151 0.000 0.766 266 E HN 0.407 nan 8.360 nan 0.000 0.449 267 L N 1.388 122.635 121.223 0.041 0.000 2.081 267 L HA -0.240 4.100 4.340 0.001 0.000 0.212 267 L C 2.435 179.320 176.870 0.025 0.000 1.080 267 L CA 2.172 57.035 54.840 0.038 0.000 0.754 267 L CB -0.372 41.701 42.059 0.025 0.000 0.893 267 L HN 0.230 nan 8.230 nan 0.000 0.433 268 E N 0.763 120.973 120.200 0.016 0.000 1.998 268 E HA -0.334 4.017 4.350 0.001 0.000 0.195 268 E C 1.897 178.509 176.600 0.020 0.000 0.994 268 E CA 1.425 57.833 56.400 0.012 0.000 0.835 268 E CB -0.536 29.168 29.700 0.006 0.000 0.786 268 E HN 0.762 nan 8.360 nan 0.000 0.467 269 E N -0.016 120.199 120.200 0.025 0.000 2.492 269 E HA -0.219 4.131 4.350 0.001 0.000 0.204 269 E C 1.926 178.547 176.600 0.035 0.000 1.073 269 E CA 0.549 56.967 56.400 0.029 0.000 0.887 269 E CB -0.014 29.706 29.700 0.033 0.000 0.813 269 E HN 0.072 nan 8.360 nan 0.000 0.562 270 R N 0.213 120.735 120.500 0.038 0.000 2.225 270 R HA 0.125 4.465 4.340 0.001 0.000 0.194 270 R C 1.817 178.137 176.300 0.033 0.000 0.957 270 R CA 0.073 56.198 56.100 0.042 0.000 1.042 270 R CB 0.078 30.410 30.300 0.054 0.000 1.004 270 R HN 0.296 nan 8.270 nan 0.000 0.509 271 L N 0.571 121.810 121.223 0.026 0.000 2.395 271 L HA 0.075 4.415 4.340 0.001 0.000 0.218 271 L C 2.063 178.943 176.870 0.016 0.000 1.130 271 L CA 1.207 56.058 54.840 0.019 0.000 0.826 271 L CB -0.840 41.226 42.059 0.012 0.000 0.941 271 L HN 0.091 nan 8.230 nan 0.000 0.451 272 A N -0.465 122.366 122.820 0.018 0.000 1.975 272 A HA -0.147 4.173 4.320 0.001 0.000 0.215 272 A C 2.255 179.850 177.584 0.019 0.000 1.170 272 A CA 1.020 53.067 52.037 0.017 0.000 0.656 272 A CB -0.158 18.852 19.000 0.017 0.000 0.821 272 A HN 0.440 nan 8.150 nan 0.000 0.449 273 E N -0.257 119.957 120.200 0.023 0.000 2.122 273 E HA -0.015 4.335 4.350 0.001 0.000 0.190 273 E C 1.864 178.479 176.600 0.026 0.000 0.977 273 E CA 0.457 56.872 56.400 0.025 0.000 0.820 273 E CB -0.128 29.590 29.700 0.030 0.000 0.770 273 E HN 0.548 nan 8.360 nan 0.000 0.462 274 L N 0.550 121.789 121.223 0.027 0.000 2.156 274 L HA -0.061 4.279 4.340 0.001 0.000 0.208 274 L C 2.788 179.670 176.870 0.020 0.000 1.095 274 L CA 0.608 55.464 54.840 0.027 0.000 0.770 274 L CB -0.107 41.969 42.059 0.029 0.000 0.914 274 L HN 0.081 nan 8.230 nan 0.000 0.439 275 R N -0.158 120.352 120.500 0.016 0.000 2.088 275 R HA -0.180 4.160 4.340 0.001 0.000 0.232 275 R C 2.307 178.614 176.300 0.013 0.000 1.136 275 R CA 1.988 58.095 56.100 0.012 0.000 0.926 275 R CB -0.652 29.654 30.300 0.010 0.000 0.837 275 R HN 0.435 nan 8.270 nan 0.000 0.429 276 A N 0.478 123.307 122.820 0.014 0.000 1.851 276 A HA -0.284 4.037 4.320 0.001 0.000 0.216 276 A C 2.133 179.727 177.584 0.016 0.000 1.195 276 A CA 1.899 53.944 52.037 0.014 0.000 0.622 276 A CB -0.901 18.107 19.000 0.015 0.000 0.831 276 A HN 0.580 nan 8.150 nan 0.000 0.444 277 Q N 0.000 119.812 119.800 0.019 0.000 1.946 277 Q HA 0.068 4.408 4.340 0.001 0.000 0.199 277 Q C 1.408 177.420 176.000 0.020 0.000 0.979 277 Q CA 1.393 57.208 55.803 0.020 0.000 0.834 277 Q CB -0.598 28.154 28.738 0.024 0.000 0.899 277 Q HN 0.528 nan 8.270 nan 0.000 0.431 278 G N 0.053 108.867 108.800 0.023 0.000 2.510 278 G HA2 0.299 4.259 3.960 0.001 0.000 0.280 278 G HA3 0.299 4.259 3.960 0.001 0.000 0.280 278 G C -0.256 174.654 174.900 0.016 0.000 1.386 278 G CA -0.252 44.861 45.100 0.022 0.000 1.047 278 G HN 0.316 nan 8.290 nan 0.000 0.527 279 K N -0.986 119.422 120.400 0.014 0.000 3.171 279 K HA 0.085 4.405 4.320 0.001 0.000 0.146 279 K C -0.682 175.919 176.600 0.002 0.000 1.007 279 K CA -0.265 56.026 56.287 0.007 0.000 1.059 279 K CB -0.019 32.485 32.500 0.006 0.000 0.669 279 K HN 0.207 nan 8.250 nan 0.000 0.379 280 L N 2.738 123.963 121.223 0.004 0.000 2.415 280 L HA 0.135 4.475 4.340 0.001 0.000 0.269 280 L C 0.631 177.490 176.870 -0.019 0.000 1.244 280 L CA 0.062 54.899 54.840 -0.006 0.000 1.113 280 L CB 0.292 42.356 42.059 0.010 0.000 1.352 280 L HN 0.257 nan 8.230 nan 0.000 0.433 281 L N 2.542 123.750 121.223 -0.024 0.000 3.898 281 L HA -0.306 4.035 4.340 0.001 0.000 0.407 281 L C 1.230 178.085 176.870 -0.024 0.000 1.207 281 L CA 1.371 56.192 54.840 -0.031 0.000 0.931 281 L CB -1.636 40.391 42.059 -0.053 0.000 2.014 281 L HN 0.881 nan 8.230 nan 0.000 0.858 282 E N -1.535 118.657 120.200 -0.013 0.000 5.086 282 E HA -0.328 4.022 4.350 0.001 0.000 0.187 282 E C 0.982 177.581 176.600 -0.002 0.000 1.056 282 E CA 3.517 59.913 56.400 -0.007 0.000 2.105 282 E CB -1.388 28.307 29.700 -0.009 0.000 1.787 282 E HN 1.755 nan 8.360 nan 0.000 0.445 283 A N -1.390 121.426 122.820 -0.006 0.000 3.497 283 A HA 0.066 4.386 4.320 0.001 0.000 0.196 283 A C 0.796 178.371 177.584 -0.014 0.000 1.324 283 A CA 0.795 52.832 52.037 0.001 0.000 1.267 283 A CB -0.972 18.032 19.000 0.006 0.000 0.967 283 A HN 0.523 nan 8.150 nan 0.000 0.441 284 Q N 0.511 120.296 119.800 -0.026 0.000 3.047 284 Q HA 0.287 4.627 4.340 0.001 0.000 0.188 284 Q C 0.911 176.858 176.000 -0.088 0.000 1.187 284 Q CA 1.695 57.471 55.803 -0.046 0.000 1.296 284 Q CB 0.062 28.776 28.738 -0.040 0.000 1.368 284 Q HN 1.458 nan 8.270 nan 0.000 0.711 285 R N -2.517 117.915 120.500 -0.113 0.000 2.178 285 R HA -0.184 4.157 4.340 0.001 0.000 0.329 285 R C 1.567 177.726 176.300 -0.235 0.000 0.298 285 R CA 1.117 57.109 56.100 -0.179 0.000 1.449 285 R CB -2.603 27.555 30.300 -0.236 0.000 1.691 285 R HN 0.668 nan 8.270 nan 0.000 0.243 286 L N -0.564 120.539 121.223 -0.199 0.000 2.240 286 L HA 0.341 4.681 4.340 0.001 0.000 0.211 286 L C 1.994 178.819 176.870 -0.076 0.000 1.106 286 L CA 1.694 56.433 54.840 -0.169 0.000 0.793 286 L CB -0.402 41.600 42.059 -0.095 0.000 0.927 286 L HN 0.283 nan 8.230 nan 0.000 0.446 287 E N 0.712 120.879 120.200 -0.054 0.000 2.169 287 E HA -0.339 4.011 4.350 0.001 0.000 0.202 287 E C 2.137 178.732 176.600 -0.010 0.000 1.016 287 E CA 2.038 58.425 56.400 -0.021 0.000 0.817 287 E CB -0.130 29.555 29.700 -0.025 0.000 0.736 287 E HN 0.573 nan 8.360 nan 0.000 0.462 288 Q N 0.249 120.023 119.800 -0.042 0.000 2.047 288 Q HA -0.235 4.105 4.340 0.001 0.000 0.211 288 Q C 2.051 178.073 176.000 0.035 0.000 1.005 288 Q CA 2.350 58.134 55.803 -0.032 0.000 0.866 288 Q CB -0.119 28.560 28.738 -0.097 0.000 0.938 288 Q HN 0.141 nan 8.270 nan 0.000 0.414 289 R N -1.582 118.938 120.500 0.032 0.000 2.156 289 R HA 0.037 4.377 4.340 0.001 0.000 0.207 289 R C 2.028 178.428 176.300 0.167 0.000 1.040 289 R CA 1.081 57.261 56.100 0.134 0.000 1.013 289 R CB 0.117 30.475 30.300 0.097 0.000 0.931 289 R HN 0.388 nan 8.270 nan 0.000 0.465 290 T N 0.929 115.552 114.554 0.115 0.000 2.529 290 T HA -0.185 4.165 4.350 0.001 0.000 0.261 290 T C 1.780 176.513 174.700 0.055 0.000 1.110 290 T CA 0.959 63.131 62.100 0.119 0.000 1.192 290 T CB -0.324 68.593 68.868 0.081 0.000 0.864 290 T HN 0.167 nan 8.240 nan 0.000 0.407 291 R N 0.239 120.759 120.500 0.033 0.000 2.103 291 R HA -0.128 4.213 4.340 0.001 0.000 0.242 291 R C 2.323 178.620 176.300 -0.005 0.000 1.142 291 R CA 1.692 57.792 56.100 0.001 0.000 0.960 291 R CB -1.055 29.253 30.300 0.014 0.000 0.858 291 R HN 0.592 nan 8.270 nan 0.000 0.439 292 Y N 2.058 122.348 120.300 -0.015 0.000 2.207 292 Y HA -0.229 4.322 4.550 0.001 0.000 0.287 292 Y C 1.816 177.714 175.900 -0.003 0.000 1.156 292 Y CA 1.634 59.729 58.100 -0.010 0.000 1.182 292 Y CB -0.198 38.258 38.460 -0.007 0.000 0.979 292 Y HN 0.011 nan 8.280 nan 0.000 0.521 293 D N -0.080 120.256 120.400 -0.105 0.000 2.123 293 D HA -0.134 4.507 4.640 0.001 0.000 0.200 293 D C 2.172 178.330 176.300 -0.237 0.000 0.976 293 D CA 1.396 55.314 54.000 -0.136 0.000 0.831 293 D CB -0.265 40.583 40.800 0.078 0.000 0.974 293 D HN 0.390 nan 8.370 nan 0.000 0.469 294 L N 1.056 122.147 121.223 -0.219 0.000 2.012 294 L HA -0.166 4.174 4.340 0.001 0.000 0.210 294 L C 2.285 179.036 176.870 -0.199 0.000 1.073 294 L CA 1.335 56.042 54.840 -0.223 0.000 0.748 294 L CB -0.414 41.540 42.059 -0.175 0.000 0.891 294 L HN 0.010 nan 8.230 nan 0.000 0.431 295 E N -0.735 119.341 120.200 -0.206 0.000 2.118 295 E HA -0.242 4.108 4.350 0.001 0.000 0.195 295 E C 2.119 178.591 176.600 -0.213 0.000 0.992 295 E CA 1.089 57.375 56.400 -0.191 0.000 0.804 295 E CB -0.187 29.404 29.700 -0.181 0.000 0.741 295 E HN 0.377 nan 8.360 nan 0.000 0.458 296 M N -0.308 119.108 119.600 -0.307 0.000 2.619 296 M HA 0.048 4.528 4.480 0.001 0.000 0.251 296 M C 1.793 178.015 176.300 -0.130 0.000 1.106 296 M CA 0.755 55.916 55.300 -0.233 0.000 1.086 296 M CB -0.044 32.366 32.600 -0.316 0.000 1.465 296 M HN 0.223 nan 8.290 nan 0.000 0.506 297 M N 0.081 119.590 119.600 -0.152 0.000 2.369 297 M HA -0.073 4.408 4.480 0.001 0.000 0.254 297 M C 2.168 178.396 176.300 -0.119 0.000 1.136 297 M CA 1.072 56.297 55.300 -0.126 0.000 1.190 297 M CB -0.228 32.268 32.600 -0.173 0.000 1.289 297 M HN 0.098 nan 8.290 nan 0.000 0.468 298 R N 0.037 120.464 120.500 -0.121 0.000 2.200 298 R HA -0.179 4.161 4.340 0.001 0.000 0.234 298 R C 1.456 177.700 176.300 -0.094 0.000 1.127 298 R CA 1.797 57.836 56.100 -0.102 0.000 0.989 298 R CB -0.871 29.373 30.300 -0.092 0.000 0.869 298 R HN 0.511 nan 8.270 nan 0.000 0.459 299 E N 0.152 120.296 120.200 -0.093 0.000 2.072 299 E HA 0.006 4.356 4.350 0.001 0.000 0.190 299 E C -0.213 176.335 176.600 -0.087 0.000 0.982 299 E CA 0.889 57.242 56.400 -0.078 0.000 0.803 299 E CB 0.252 29.912 29.700 -0.067 0.000 0.755 299 E HN 0.172 nan 8.360 nan 0.000 0.453 300 M N -1.772 117.767 119.600 -0.102 0.000 2.326 300 M HA 0.288 4.768 4.480 0.001 0.000 0.292 300 M C 0.552 176.690 176.300 -0.269 0.000 1.081 300 M CA -0.302 54.898 55.300 -0.166 0.000 0.919 300 M CB 2.085 34.650 32.600 -0.058 0.000 1.634 300 M HN 0.002 nan 8.290 nan 0.000 0.451 301 G N 2.611 111.147 108.800 -0.441 0.000 2.656 301 G HA2 -0.217 3.743 3.960 0.001 0.000 0.223 301 G HA3 -0.217 3.743 3.960 0.001 0.000 0.223 301 G C 0.383 175.111 174.900 -0.286 0.000 1.130 301 G CA 1.691 46.540 45.100 -0.419 0.000 0.758 301 G HN 0.616 nan 8.290 nan 0.000 0.608 302 F N -0.454 119.523 119.950 0.044 0.000 2.590 302 F HA 0.768 5.295 4.527 0.001 0.000 0.379 302 F C 0.697 176.515 175.800 0.030 0.000 1.154 302 F CA -1.941 56.091 58.000 0.055 0.000 1.136 302 F CB -0.020 39.031 39.000 0.084 0.000 1.601 302 F HN 0.448 nan 8.300 nan 0.000 0.504 303 C N -1.876 117.648 119.300 0.372 0.000 3.301 303 C HA 0.445 4.906 4.460 0.001 0.000 0.324 303 C C 1.477 176.559 174.990 0.155 0.000 1.543 303 C CA 0.057 59.200 59.018 0.207 0.000 1.114 303 C CB 0.440 28.247 27.740 0.112 0.000 1.760 303 C HN 1.305 nan 8.230 nan 0.000 0.402 304 S N 1.845 117.634 115.700 0.150 0.000 2.500 304 S HA 0.175 4.645 4.470 0.001 0.000 0.210 304 S C 1.457 176.128 174.600 0.119 0.000 1.101 304 S CA 1.797 60.082 58.200 0.142 0.000 1.272 304 S CB -1.486 61.827 63.200 0.187 0.000 1.071 304 S HN 2.432 nan 8.310 nan 0.000 0.397 305 G N 0.074 108.954 108.800 0.135 0.000 3.678 305 G HA2 0.419 4.380 3.960 0.001 0.000 0.287 305 G HA3 0.419 4.380 3.960 0.001 0.000 0.287 305 G C 0.700 175.635 174.900 0.059 0.000 1.280 305 G CA -0.040 45.105 45.100 0.075 0.000 1.118 305 G HN 0.429 nan 8.290 nan 0.000 0.563 306 I N 1.749 122.393 120.570 0.124 0.000 2.322 306 I HA -0.415 3.756 4.170 0.001 0.000 0.235 306 I C 2.507 178.605 176.117 -0.031 0.000 0.967 306 I CA 2.288 63.677 61.300 0.148 0.000 1.260 306 I CB -0.258 37.812 38.000 0.117 0.000 0.968 306 I HN 0.449 nan 8.210 nan 0.000 0.398 307 E N 0.445 120.453 120.200 -0.320 0.000 2.217 307 E HA -0.325 4.026 4.350 0.001 0.000 0.219 307 E C 1.932 178.342 176.600 -0.316 0.000 1.070 307 E CA 2.107 58.142 56.400 -0.609 0.000 0.889 307 E CB -0.792 28.612 29.700 -0.493 0.000 0.768 307 E HN 0.637 nan 8.360 nan 0.000 0.465 308 N N -0.388 118.161 118.700 -0.252 0.000 2.258 308 N HA -0.171 4.569 4.740 0.001 0.000 0.187 308 N C 0.694 176.003 175.510 -0.336 0.000 1.012 308 N CA 1.131 53.988 53.050 -0.321 0.000 0.870 308 N CB -0.106 38.103 38.487 -0.463 0.000 0.977 308 N HN 0.378 nan 8.380 nan 0.000 0.434 309 Y N 0.430 120.732 120.300 0.002 0.000 2.583 309 Y HA 0.114 4.665 4.550 0.001 0.000 0.294 309 Y C 2.066 178.017 175.900 0.085 0.000 1.170 309 Y CA -0.423 57.726 58.100 0.082 0.000 1.265 309 Y CB 0.028 38.533 38.460 0.075 0.000 1.119 309 Y HN 0.064 nan 8.280 nan 0.000 0.522 310 S N 0.063 115.828 115.700 0.108 0.000 2.359 310 S HA -0.248 4.223 4.470 0.001 0.000 0.224 310 S C 2.162 176.870 174.600 0.179 0.000 1.035 310 S CA 0.927 59.210 58.200 0.138 0.000 1.018 310 S CB -0.201 63.066 63.200 0.111 0.000 0.876 310 S HN 0.424 nan 8.310 nan 0.000 0.448 311 R N 0.758 121.331 120.500 0.123 0.000 2.081 311 R HA -0.121 4.219 4.340 0.001 0.000 0.235 311 R C 2.301 178.630 176.300 0.048 0.000 1.131 311 R CA 1.663 57.804 56.100 0.069 0.000 0.960 311 R CB -0.828 29.460 30.300 -0.019 0.000 0.856 311 R HN 0.582 nan 8.270 nan 0.000 0.436 312 H N 0.703 119.855 119.070 0.137 0.000 2.321 312 H HA -0.068 4.488 4.556 0.001 0.000 0.300 312 H C 2.208 177.601 175.328 0.110 0.000 1.087 312 H CA 1.515 57.638 56.048 0.125 0.000 1.319 312 H CB -0.181 29.674 29.762 0.156 0.000 1.379 312 H HN 0.159 nan 8.280 nan 0.000 0.501 313 L N -0.071 121.310 121.223 0.263 0.000 2.046 313 L HA -0.155 4.185 4.340 0.001 0.000 0.208 313 L C 2.830 179.792 176.870 0.152 0.000 1.077 313 L CA 1.076 56.025 54.840 0.182 0.000 0.747 313 L CB -0.706 41.465 42.059 0.186 0.000 0.896 313 L HN 0.201 nan 8.230 nan 0.000 0.432 314 A N -0.782 122.137 122.820 0.164 0.000 2.019 314 A HA -0.130 4.190 4.320 0.001 0.000 0.219 314 A C 1.306 178.963 177.584 0.121 0.000 1.164 314 A CA 0.778 52.902 52.037 0.145 0.000 0.644 314 A CB -0.197 18.917 19.000 0.190 0.000 0.805 314 A HN 0.408 nan 8.150 nan 0.000 0.449 315 L N -2.045 119.250 121.223 0.119 0.000 3.938 315 L HA -0.153 4.188 4.340 0.001 0.000 0.405 315 L C 0.074 176.993 176.870 0.083 0.000 1.202 315 L CA 0.925 55.825 54.840 0.100 0.000 0.920 315 L CB -2.162 39.947 42.059 0.084 0.000 2.054 315 L HN 0.601 nan 8.230 nan 0.000 0.815 316 R N 0.534 121.081 120.500 0.078 0.000 2.589 316 R HA 0.681 5.021 4.340 0.001 0.000 0.293 316 R C -2.146 174.168 176.300 0.024 0.000 0.963 316 R CA -1.799 54.340 56.100 0.065 0.000 0.905 316 R CB 0.903 31.262 30.300 0.097 0.000 1.144 316 R HN -0.059 nan 8.270 nan 0.000 0.459 317 P HA 0.037 nan 4.420 nan 0.000 0.267 317 P C -2.484 174.811 177.300 -0.009 0.000 1.201 317 P CA -1.122 61.981 63.100 0.006 0.000 0.775 317 P CB -0.378 31.330 31.700 0.013 0.000 0.854 318 P HA 0.109 nan 4.420 nan 0.000 0.268 318 P C 1.089 178.391 177.300 0.002 0.000 1.204 318 P CA 1.115 64.204 63.100 -0.019 0.000 0.768 318 P CB 0.076 31.770 31.700 -0.011 0.000 0.842 319 G N 1.704 110.510 108.800 0.010 0.000 2.284 319 G HA2 -0.261 3.700 3.960 0.001 0.000 0.230 319 G HA3 -0.261 3.700 3.960 0.001 0.000 0.230 319 G C 0.565 175.473 174.900 0.014 0.000 1.021 319 G CA 0.047 45.160 45.100 0.022 0.000 0.619 319 G HN 0.607 nan 8.290 nan 0.000 0.510 320 S N 1.310 117.012 115.700 0.003 0.000 2.574 320 S HA 0.306 4.777 4.470 0.001 0.000 0.302 320 S C 0.792 175.381 174.600 -0.018 0.000 1.270 320 S CA 1.169 59.362 58.200 -0.011 0.000 1.040 320 S CB 0.499 63.697 63.200 -0.004 0.000 0.767 320 S HN 0.639 nan 8.310 nan 0.000 0.494 321 T N 4.968 119.487 114.554 -0.059 0.000 2.856 321 T HA 0.396 4.746 4.350 0.001 0.000 0.292 321 T C -1.964 172.668 174.700 -0.113 0.000 0.980 321 T CA -1.018 61.039 62.100 -0.072 0.000 1.091 321 T CB 0.842 69.648 68.868 -0.104 0.000 0.936 321 T HN 0.369 nan 8.240 nan 0.000 0.503 322 P HA 0.240 nan 4.420 nan 0.000 0.275 322 P C -0.973 176.264 177.300 -0.106 0.000 1.270 322 P CA -0.436 62.666 63.100 0.003 0.000 0.791 322 P CB 0.399 32.167 31.700 0.112 0.000 1.089 323 Y N -0.776 119.579 120.300 0.090 0.000 2.361 323 Y HA 0.511 5.062 4.550 0.001 0.000 0.332 323 Y C 0.913 176.867 175.900 0.089 0.000 1.101 323 Y CA 0.301 58.445 58.100 0.073 0.000 1.137 323 Y CB 1.435 39.937 38.460 0.071 0.000 1.207 323 Y HN 0.310 nan 8.280 nan 0.000 0.463 324 T N -0.297 114.395 114.554 0.230 0.000 2.841 324 T HA 0.189 4.539 4.350 0.001 0.000 0.296 324 T C 0.143 174.914 174.700 0.117 0.000 1.166 324 T CA -0.980 61.195 62.100 0.124 0.000 1.007 324 T CB 1.125 70.026 68.868 0.056 0.000 1.253 324 T HN 0.492 nan 8.240 nan 0.000 0.511 325 L N 0.884 122.041 121.223 -0.111 0.000 2.261 325 L HA 0.081 4.422 4.340 0.001 0.000 0.216 325 L C 1.794 178.661 176.870 -0.005 0.000 1.114 325 L CA 1.498 56.169 54.840 -0.282 0.000 0.777 325 L CB -1.189 40.420 42.059 -0.750 0.000 0.910 325 L HN 0.732 nan 8.230 nan 0.000 0.440 326 L N -1.117 120.141 121.223 0.059 0.000 2.376 326 L HA -0.081 4.260 4.340 0.001 0.000 0.219 326 L C 1.664 178.519 176.870 -0.024 0.000 1.133 326 L CA 0.683 55.575 54.840 0.088 0.000 0.816 326 L CB -0.801 41.293 42.059 0.058 0.000 0.933 326 L HN 0.285 nan 8.230 nan 0.000 0.449 327 D N -0.661 119.775 120.400 0.060 0.000 2.333 327 D HA -0.078 4.562 4.640 0.001 0.000 0.208 327 D C 1.699 177.962 176.300 -0.062 0.000 0.984 327 D CA 0.860 54.866 54.000 0.010 0.000 0.873 327 D CB 0.267 41.135 40.800 0.114 0.000 0.935 327 D HN 0.358 nan 8.370 nan 0.000 0.521 328 Y N -0.281 119.893 120.300 -0.209 0.000 2.544 328 Y HA 0.111 4.661 4.550 0.001 0.000 0.286 328 Y C 0.716 176.293 175.900 -0.538 0.000 1.141 328 Y CA -0.112 57.777 58.100 -0.352 0.000 1.299 328 Y CB -0.298 37.896 38.460 -0.443 0.000 1.030 328 Y HN -0.174 nan 8.280 nan 0.000 0.543 329 F N 1.741 121.472 119.950 -0.366 0.000 2.412 329 F HA 0.283 4.810 4.527 0.001 0.000 0.348 329 F C -1.516 174.002 175.800 -0.470 0.000 1.102 329 F CA -2.622 55.080 58.000 -0.498 0.000 1.196 329 F CB 0.160 38.648 39.000 -0.854 0.000 1.144 329 F HN -0.135 nan 8.300 nan 0.000 0.541 330 P HA -0.123 nan 4.420 nan 0.000 0.269 330 P C 0.219 177.476 177.300 -0.070 0.000 1.205 330 P CA 0.290 63.349 63.100 -0.067 0.000 0.780 330 P CB 0.588 32.293 31.700 0.009 0.000 0.858 331 D N 0.077 120.462 120.400 -0.026 0.000 2.221 331 D HA -0.142 4.499 4.640 0.001 0.000 0.204 331 D C 0.206 176.561 176.300 0.092 0.000 0.982 331 D CA 1.243 55.243 54.000 -0.001 0.000 0.857 331 D CB -0.171 40.635 40.800 0.010 0.000 0.934 331 D HN 0.435 nan 8.370 nan 0.000 0.475 332 D N -0.257 120.222 120.400 0.131 0.000 2.432 332 D HA 0.112 4.752 4.640 0.001 0.000 0.265 332 D C -0.326 176.118 176.300 0.240 0.000 1.160 332 D CA -0.750 53.352 54.000 0.169 0.000 0.911 332 D CB -0.646 40.203 40.800 0.081 0.000 1.052 332 D HN 0.267 nan 8.370 nan 0.000 0.508 333 F N 0.012 119.915 119.950 -0.078 0.000 2.712 333 F HA 0.817 5.345 4.527 0.001 0.000 0.367 333 F C -1.621 174.066 175.800 -0.189 0.000 1.132 333 F CA -1.590 56.337 58.000 -0.122 0.000 1.066 333 F CB 1.496 40.388 39.000 -0.180 0.000 1.416 333 F HN 0.095 nan 8.300 nan 0.000 0.515 334 L N 1.743 122.619 121.223 -0.578 0.000 2.401 334 L HA 0.726 5.066 4.340 0.001 0.000 0.266 334 L C -1.745 174.702 176.870 -0.704 0.000 0.991 334 L CA -0.659 53.793 54.840 -0.646 0.000 0.818 334 L CB 2.011 43.878 42.059 -0.320 0.000 1.321 334 L HN 0.640 nan 8.230 nan 0.000 0.413 335 I N 5.244 125.417 120.570 -0.661 0.000 2.436 335 I HA 0.476 4.646 4.170 0.001 0.000 0.289 335 I C -0.787 175.129 176.117 -0.336 0.000 1.010 335 I CA -0.378 60.632 61.300 -0.484 0.000 1.098 335 I CB 1.692 39.408 38.000 -0.474 0.000 1.266 335 I HN 0.364 nan 8.210 nan 0.000 0.434 336 I N 6.911 127.352 120.570 -0.216 0.000 2.377 336 I HA 0.411 4.582 4.170 0.001 0.000 0.293 336 I C -0.266 175.814 176.117 -0.061 0.000 0.987 336 I CA -0.942 60.275 61.300 -0.139 0.000 1.185 336 I CB 1.847 39.794 38.000 -0.087 0.000 1.341 336 I HN 0.152 nan 8.210 nan 0.000 0.455 337 V N 5.675 125.581 119.914 -0.014 0.000 2.349 337 V HA 0.270 4.390 4.120 0.001 0.000 0.284 337 V C -0.117 176.059 176.094 0.137 0.000 1.014 337 V CA -0.925 61.431 62.300 0.093 0.000 0.826 337 V CB 1.503 33.448 31.823 0.204 0.000 1.009 337 V HN 0.732 nan 8.190 nan 0.000 0.431 338 D N 3.353 123.829 120.400 0.128 0.000 2.344 338 D HA 0.167 4.807 4.640 0.001 0.000 0.244 338 D C 0.733 177.150 176.300 0.195 0.000 1.134 338 D CA -0.037 54.051 54.000 0.147 0.000 0.930 338 D CB 0.697 41.576 40.800 0.131 0.000 1.175 338 D HN 0.587 nan 8.370 nan 0.000 0.437 339 E N 0.921 121.252 120.200 0.219 0.000 2.216 339 E HA -0.272 4.078 4.350 0.001 0.000 0.219 339 E C 1.148 177.924 176.600 0.294 0.000 1.317 339 E CA 0.835 57.412 56.400 0.295 0.000 0.716 339 E CB -1.724 28.166 29.700 0.316 0.000 1.135 339 E HN 0.525 nan 8.360 nan 0.000 0.359 340 S N 0.431 116.294 115.700 0.272 0.000 2.407 340 S HA -0.282 4.188 4.470 0.001 0.000 0.235 340 S C 1.719 176.416 174.600 0.162 0.000 1.036 340 S CA 1.729 60.059 58.200 0.216 0.000 1.013 340 S CB -0.504 62.844 63.200 0.247 0.000 0.820 340 S HN 0.647 nan 8.310 nan 0.000 0.476 341 H N 0.160 119.235 119.070 0.009 0.000 2.545 341 H HA 0.221 4.777 4.556 0.001 0.000 0.282 341 H C 1.771 177.079 175.328 -0.034 0.000 1.020 341 H CA 1.046 57.085 56.048 -0.015 0.000 1.243 341 H CB -0.675 29.088 29.762 0.002 0.000 1.377 341 H HN 0.444 nan 8.280 nan 0.000 0.581 342 V N 0.627 120.261 119.914 -0.467 0.000 2.743 342 V HA -0.111 4.009 4.120 0.001 0.000 0.237 342 V C 2.255 178.169 176.094 -0.300 0.000 1.113 342 V CA 1.341 63.351 62.300 -0.484 0.000 1.141 342 V CB 0.101 31.509 31.823 -0.692 0.000 0.873 342 V HN 0.412 nan 8.190 nan 0.000 0.486 343 T N 1.350 115.802 114.554 -0.170 0.000 2.486 343 T HA -0.257 4.093 4.350 0.001 0.000 0.257 343 T C 1.902 176.551 174.700 -0.085 0.000 1.175 343 T CA 2.194 64.267 62.100 -0.045 0.000 1.207 343 T CB -0.596 68.315 68.868 0.072 0.000 0.864 343 T HN 0.190 nan 8.240 nan 0.000 0.405 344 L N 1.487 122.676 121.223 -0.055 0.000 2.077 344 L HA -0.211 4.130 4.340 0.001 0.000 0.231 344 L C -0.131 176.637 176.870 -0.170 0.000 1.100 344 L CA 2.187 56.977 54.840 -0.083 0.000 0.819 344 L CB -2.156 39.854 42.059 -0.081 0.000 0.913 344 L HN 0.345 nan 8.230 nan 0.000 0.446 345 P HA -0.224 nan 4.420 nan 0.000 0.215 345 P C 1.462 178.646 177.300 -0.194 0.000 1.153 345 P CA 1.775 64.739 63.100 -0.226 0.000 0.853 345 P CB -0.117 31.467 31.700 -0.193 0.000 0.788 346 Q N 0.324 120.022 119.800 -0.170 0.000 2.079 346 Q HA -0.115 4.226 4.340 0.001 0.000 0.200 346 Q C 2.324 178.241 176.000 -0.139 0.000 0.974 346 Q CA 1.089 56.806 55.803 -0.143 0.000 0.840 346 Q CB -1.047 27.617 28.738 -0.123 0.000 0.898 346 Q HN 0.214 nan 8.270 nan 0.000 0.430 347 L N 0.345 121.474 121.223 -0.155 0.000 2.362 347 L HA -0.082 4.258 4.340 0.001 0.000 0.219 347 L C 2.607 179.394 176.870 -0.137 0.000 1.134 347 L CA 1.089 55.808 54.840 -0.201 0.000 0.807 347 L CB -0.203 41.686 42.059 -0.283 0.000 0.927 347 L HN 0.274 nan 8.230 nan 0.000 0.447 348 R N 0.156 120.602 120.500 -0.090 0.000 2.057 348 R HA -0.064 4.277 4.340 0.001 0.000 0.229 348 R C 1.691 177.966 176.300 -0.041 0.000 1.136 348 R CA 1.322 57.397 56.100 -0.042 0.000 0.952 348 R CB -0.582 29.534 30.300 -0.308 0.000 0.848 348 R HN 0.409 nan 8.270 nan 0.000 0.430 349 G N 0.218 108.974 108.800 -0.073 0.000 3.424 349 G HA2 0.076 4.036 3.960 0.001 0.000 0.263 349 G HA3 0.076 4.036 3.960 0.001 0.000 0.263 349 G C 0.983 175.869 174.900 -0.024 0.000 1.310 349 G CA -0.407 44.672 45.100 -0.034 0.000 1.089 349 G HN 0.212 nan 8.290 nan 0.000 0.534 350 M N -0.779 118.799 119.600 -0.036 0.000 2.236 350 M HA 0.014 4.494 4.480 0.001 0.000 0.266 350 M C 2.184 178.490 176.300 0.010 0.000 1.070 350 M CA 0.878 56.142 55.300 -0.060 0.000 1.137 350 M CB -0.355 32.140 32.600 -0.176 0.000 1.378 350 M HN 0.465 nan 8.290 nan 0.000 0.426 351 Y N 1.819 122.081 120.300 -0.064 0.000 2.145 351 Y HA -0.226 4.324 4.550 0.001 0.000 0.286 351 Y C 2.125 178.018 175.900 -0.013 0.000 1.145 351 Y CA 1.768 59.852 58.100 -0.026 0.000 1.148 351 Y CB -0.361 38.088 38.460 -0.018 0.000 0.981 351 Y HN 0.222 nan 8.280 nan 0.000 0.507 352 N N 0.378 119.146 118.700 0.114 0.000 2.069 352 N HA -0.157 4.584 4.740 0.001 0.000 0.191 352 N C 1.990 177.445 175.510 -0.091 0.000 1.031 352 N CA 1.664 54.717 53.050 0.005 0.000 0.852 352 N CB -1.027 37.499 38.487 0.065 0.000 1.018 352 N HN 0.588 nan 8.380 nan 0.000 0.423 353 G N -0.350 108.413 108.800 -0.061 0.000 2.421 353 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 353 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 353 G C 1.361 176.218 174.900 -0.071 0.000 1.143 353 G CA 0.706 45.772 45.100 -0.056 0.000 0.784 353 G HN 0.316 nan 8.290 nan 0.000 0.541 354 D N 0.297 120.646 120.400 -0.086 0.000 2.077 354 D HA -0.119 4.521 4.640 0.001 0.000 0.197 354 D C 2.471 178.677 176.300 -0.157 0.000 0.983 354 D CA 1.278 55.227 54.000 -0.084 0.000 0.841 354 D CB -0.099 40.664 40.800 -0.062 0.000 0.992 354 D HN 0.188 nan 8.370 nan 0.000 0.450 355 R N 0.468 120.784 120.500 -0.308 0.000 2.165 355 R HA -0.264 4.076 4.340 0.001 0.000 0.254 355 R C 1.919 178.115 176.300 -0.174 0.000 1.153 355 R CA 2.072 57.983 56.100 -0.316 0.000 0.971 355 R CB -0.618 29.350 30.300 -0.553 0.000 0.878 355 R HN 0.216 nan 8.270 nan 0.000 0.449 356 A N 1.421 124.155 122.820 -0.144 0.000 1.835 356 A HA -0.214 4.106 4.320 0.001 0.000 0.215 356 A C 2.197 179.729 177.584 -0.087 0.000 1.199 356 A CA 1.761 53.741 52.037 -0.094 0.000 0.615 356 A CB -0.785 18.170 19.000 -0.075 0.000 0.838 356 A HN 0.595 nan 8.150 nan 0.000 0.444 357 R N -0.598 119.851 120.500 -0.084 0.000 2.339 357 R HA 0.050 4.390 4.340 0.001 0.000 0.199 357 R C 1.440 177.688 176.300 -0.085 0.000 1.018 357 R CA 1.614 57.664 56.100 -0.083 0.000 1.036 357 R CB -0.162 30.097 30.300 -0.068 0.000 0.899 357 R HN 0.478 nan 8.270 nan 0.000 0.473 358 K N -0.348 120.003 120.400 -0.082 0.000 2.399 358 K HA 0.056 4.377 4.320 0.001 0.000 0.196 358 K C 1.772 178.339 176.600 -0.054 0.000 1.117 358 K CA -0.006 56.240 56.287 -0.068 0.000 0.965 358 K CB 0.436 32.898 32.500 -0.063 0.000 0.983 358 K HN 0.114 nan 8.250 nan 0.000 0.531 359 Q N 0.335 120.099 119.800 -0.060 0.000 2.224 359 Q HA -0.090 4.250 4.340 0.001 0.000 0.203 359 Q C 1.802 177.781 176.000 -0.035 0.000 0.970 359 Q CA 0.937 56.718 55.803 -0.036 0.000 0.865 359 Q CB 0.246 28.962 28.738 -0.037 0.000 0.922 359 Q HN 0.140 nan 8.270 nan 0.000 0.445 360 V N 0.498 120.367 119.914 -0.076 0.000 2.261 360 V HA -0.269 3.851 4.120 0.001 0.000 0.246 360 V C 2.017 178.030 176.094 -0.135 0.000 1.047 360 V CA 1.722 63.941 62.300 -0.135 0.000 1.015 360 V CB -0.267 31.444 31.823 -0.187 0.000 0.642 360 V HN 0.426 nan 8.190 nan 0.000 0.446 361 L N -0.426 120.734 121.223 -0.105 0.000 2.187 361 L HA -0.146 4.194 4.340 0.001 0.000 0.213 361 L C 2.289 179.233 176.870 0.124 0.000 1.100 361 L CA 1.192 55.998 54.840 -0.056 0.000 0.765 361 L CB -0.590 41.440 42.059 -0.049 0.000 0.904 361 L HN 0.273 nan 8.230 nan 0.000 0.437 362 V N -1.102 118.863 119.914 0.084 0.000 2.788 362 V HA -0.158 3.963 4.120 0.001 0.000 0.251 362 V C 1.881 178.056 176.094 0.135 0.000 1.068 362 V CA 1.306 63.671 62.300 0.109 0.000 1.090 362 V CB -0.374 31.485 31.823 0.061 0.000 0.710 362 V HN 0.354 nan 8.190 nan 0.000 0.467 363 D N -0.450 120.030 120.400 0.134 0.000 2.091 363 D HA -0.101 4.540 4.640 0.001 0.000 0.199 363 D C 2.088 178.563 176.300 0.292 0.000 0.980 363 D CA 1.377 55.481 54.000 0.174 0.000 0.831 363 D CB -0.356 40.544 40.800 0.166 0.000 0.987 363 D HN 0.526 nan 8.370 nan 0.000 0.460 364 H N -0.193 118.963 119.070 0.143 0.000 2.545 364 H HA 0.117 4.673 4.556 0.001 0.000 0.282 364 H C 0.652 176.210 175.328 0.384 0.000 1.020 364 H CA 0.358 56.554 56.048 0.247 0.000 1.243 364 H CB 0.279 30.123 29.762 0.137 0.000 1.377 364 H HN 0.156 nan 8.280 nan 0.000 0.581 365 G N 0.513 109.563 108.800 0.417 0.000 2.385 365 G HA2 -0.278 3.682 3.960 0.001 0.000 0.294 365 G HA3 -0.278 3.682 3.960 0.001 0.000 0.294 365 G C 0.083 175.121 174.900 0.230 0.000 1.070 365 G CA 0.047 45.302 45.100 0.258 0.000 1.172 365 G HN 0.504 nan 8.290 nan 0.000 0.516 366 F N -0.192 119.785 119.950 0.045 0.000 2.688 366 F HA 0.416 4.943 4.527 0.001 0.000 0.310 366 F C 1.259 177.092 175.800 0.055 0.000 1.098 366 F CA -0.452 57.586 58.000 0.063 0.000 1.228 366 F CB 0.442 39.511 39.000 0.116 0.000 1.042 366 F HN 0.160 nan 8.300 nan 0.000 0.557 367 R N 0.570 121.184 120.500 0.189 0.000 2.741 367 R HA 0.500 4.840 4.340 0.001 0.000 0.276 367 R C -1.247 175.100 176.300 0.078 0.000 1.028 367 R CA -0.708 55.444 56.100 0.086 0.000 0.865 367 R CB 1.298 31.618 30.300 0.033 0.000 1.268 367 R HN 0.046 nan 8.270 nan 0.000 0.475 368 L N -0.865 120.392 121.223 0.057 0.000 2.304 368 L HA 0.698 5.039 4.340 0.001 0.000 0.268 368 L C -1.478 175.430 176.870 0.063 0.000 1.010 368 L CA -2.293 52.592 54.840 0.076 0.000 0.813 368 L CB 1.013 43.136 42.059 0.105 0.000 1.315 368 L HN 0.193 nan 8.230 nan 0.000 0.445 369 P HA -0.301 nan 4.420 nan 0.000 0.221 369 P C 1.693 179.019 177.300 0.044 0.000 1.160 369 P CA 2.478 65.609 63.100 0.053 0.000 0.933 369 P CB -0.228 31.507 31.700 0.058 0.000 0.793 370 S N -0.526 115.213 115.700 0.066 0.000 2.461 370 S HA -0.189 4.281 4.470 0.001 0.000 0.246 370 S C 1.972 176.582 174.600 0.017 0.000 1.007 370 S CA 1.377 59.601 58.200 0.041 0.000 0.976 370 S CB -1.347 61.936 63.200 0.138 0.000 0.763 370 S HN 0.280 nan 8.310 nan 0.000 0.508 371 A N 1.189 124.009 122.820 0.000 0.000 2.067 371 A HA 0.367 4.688 4.320 0.001 0.000 0.217 371 A C 2.123 179.691 177.584 -0.026 0.000 1.156 371 A CA 0.503 52.513 52.037 -0.046 0.000 0.683 371 A CB -0.518 18.440 19.000 -0.070 0.000 0.808 371 A HN 0.531 nan 8.150 nan 0.000 0.455 372 L N -0.573 120.646 121.223 -0.007 0.000 2.093 372 L HA -0.136 4.205 4.340 0.001 0.000 0.208 372 L C 1.374 178.255 176.870 0.019 0.000 1.085 372 L CA 1.028 55.865 54.840 -0.005 0.000 0.755 372 L CB -0.437 41.624 42.059 0.004 0.000 0.904 372 L HN 0.209 nan 8.230 nan 0.000 0.435 373 D N 0.291 120.706 120.400 0.025 0.000 2.403 373 D HA -0.124 4.516 4.640 0.001 0.000 0.227 373 D C 0.653 176.988 176.300 0.059 0.000 0.995 373 D CA 0.612 54.637 54.000 0.042 0.000 0.928 373 D CB -0.344 40.465 40.800 0.014 0.000 0.887 373 D HN 0.280 nan 8.370 nan 0.000 0.529 374 N N 0.859 119.587 118.700 0.047 0.000 2.936 374 N HA 0.159 4.899 4.740 0.001 0.000 0.243 374 N C -0.748 174.813 175.510 0.084 0.000 1.149 374 N CA -0.361 52.729 53.050 0.067 0.000 0.914 374 N CB 0.524 39.019 38.487 0.013 0.000 1.179 374 N HN 0.010 nan 8.380 nan 0.000 0.502 375 R N 0.927 121.510 120.500 0.138 0.000 2.795 375 R HA 0.659 4.999 4.340 0.001 0.000 0.268 375 R C -2.947 173.498 176.300 0.243 0.000 1.041 375 R CA -1.393 54.809 56.100 0.171 0.000 0.927 375 R CB 0.380 30.756 30.300 0.127 0.000 1.235 375 R HN 0.096 nan 8.270 nan 0.000 0.463 376 P HA 0.138 nan 4.420 nan 0.000 0.275 376 P C -0.399 176.977 177.300 0.126 0.000 1.266 376 P CA -0.512 62.665 63.100 0.128 0.000 0.793 376 P CB 0.623 32.260 31.700 -0.105 0.000 1.074 377 L N -0.124 121.113 121.223 0.024 0.000 2.475 377 L HA 0.252 4.592 4.340 0.001 0.000 0.253 377 L C 1.266 178.128 176.870 -0.015 0.000 1.198 377 L CA -0.172 54.675 54.840 0.012 0.000 0.814 377 L CB 0.133 42.191 42.059 -0.001 0.000 1.134 377 L HN 0.477 nan 8.230 nan 0.000 0.478 378 T N -2.871 111.626 114.554 -0.095 0.000 2.934 378 T HA 0.194 4.544 4.350 0.001 0.000 0.283 378 T C 0.743 175.414 174.700 -0.048 0.000 1.005 378 T CA -0.572 61.432 62.100 -0.160 0.000 1.041 378 T CB 0.952 69.627 68.868 -0.322 0.000 1.042 378 T HN 0.395 nan 8.240 nan 0.000 0.505 379 F N 1.454 121.332 119.950 -0.118 0.000 2.192 379 F HA -0.087 4.440 4.527 0.001 0.000 0.301 379 F C 2.072 177.886 175.800 0.023 0.000 1.079 379 F CA 1.678 59.634 58.000 -0.074 0.000 1.303 379 F CB -0.262 38.662 39.000 -0.127 0.000 1.024 379 F HN 0.641 nan 8.300 nan 0.000 0.494 380 E N -0.083 120.152 120.200 0.059 0.000 2.152 380 E HA -0.142 4.208 4.350 0.001 0.000 0.192 380 E C 1.959 178.533 176.600 -0.043 0.000 0.983 380 E CA 1.249 57.665 56.400 0.026 0.000 0.818 380 E CB -0.349 29.373 29.700 0.037 0.000 0.758 380 E HN 0.497 nan 8.360 nan 0.000 0.467 381 E N -0.639 119.526 120.200 -0.058 0.000 2.285 381 E HA -0.077 4.273 4.350 0.001 0.000 0.194 381 E C 1.360 177.926 176.600 -0.056 0.000 0.997 381 E CA 0.289 56.651 56.400 -0.063 0.000 0.845 381 E CB -0.067 29.593 29.700 -0.066 0.000 0.782 381 E HN 0.233 nan 8.360 nan 0.000 0.491 382 F N 1.886 121.675 119.950 -0.268 0.000 2.234 382 F HA -0.034 4.493 4.527 0.001 0.000 0.296 382 F C 1.839 177.455 175.800 -0.306 0.000 1.089 382 F CA 1.159 58.966 58.000 -0.322 0.000 1.343 382 F CB 0.157 38.849 39.000 -0.514 0.000 1.040 382 F HN -0.112 nan 8.300 nan 0.000 0.498 383 E N 0.159 120.192 120.200 -0.278 0.000 2.017 383 E HA -0.329 4.022 4.350 0.001 0.000 0.193 383 E C 2.051 178.535 176.600 -0.193 0.000 0.997 383 E CA 1.632 57.885 56.400 -0.246 0.000 0.804 383 E CB -0.423 29.241 29.700 -0.060 0.000 0.757 383 E HN 0.591 nan 8.360 nan 0.000 0.448 384 Q N 1.272 121.001 119.800 -0.117 0.000 2.449 384 Q HA -0.171 4.169 4.340 0.001 0.000 0.214 384 Q C 1.435 177.371 176.000 -0.106 0.000 0.986 384 Q CA 1.609 57.362 55.803 -0.083 0.000 0.893 384 Q CB -0.068 28.634 28.738 -0.060 0.000 0.940 384 Q HN 0.032 nan 8.270 nan 0.000 0.477 385 K N -0.350 119.947 120.400 -0.172 0.000 2.361 385 K HA 0.270 4.590 4.320 0.001 0.000 0.194 385 K C -0.215 176.305 176.600 -0.132 0.000 1.032 385 K CA -0.259 55.941 56.287 -0.145 0.000 1.048 385 K CB 0.354 32.759 32.500 -0.157 0.000 0.842 385 K HN 0.215 nan 8.250 nan 0.000 0.526 386 I N 1.574 121.991 120.570 -0.256 0.000 2.754 386 I HA -0.113 4.057 4.170 0.001 0.000 0.285 386 I C 1.273 177.316 176.117 -0.124 0.000 1.166 386 I CA -0.053 61.081 61.300 -0.277 0.000 1.417 386 I CB 0.768 38.550 38.000 -0.365 0.000 1.382 386 I HN 0.106 nan 8.210 nan 0.000 0.588 387 N N 3.585 122.182 118.700 -0.171 0.000 2.591 387 N HA 0.076 4.816 4.740 0.001 0.000 0.200 387 N C -0.356 175.064 175.510 -0.149 0.000 1.040 387 N CA 0.727 53.723 53.050 -0.090 0.000 0.911 387 N CB 0.565 39.049 38.487 -0.006 0.000 1.259 387 N HN 0.652 nan 8.380 nan 0.000 0.438 388 Q N -0.238 119.390 119.800 -0.288 0.000 2.364 388 Q HA 0.435 4.776 4.340 0.001 0.000 0.251 388 Q C -1.633 174.146 176.000 -0.368 0.000 0.927 388 Q CA -0.466 55.194 55.803 -0.239 0.000 0.924 388 Q CB 1.873 30.502 28.738 -0.183 0.000 1.419 388 Q HN 0.343 nan 8.270 nan 0.000 0.427 389 I N -0.004 120.345 120.570 -0.369 0.000 3.170 389 I HA 0.716 4.886 4.170 0.001 0.000 0.312 389 I C -0.574 175.274 176.117 -0.447 0.000 1.085 389 I CA -1.185 59.812 61.300 -0.505 0.000 0.999 389 I CB 2.076 39.625 38.000 -0.751 0.000 1.233 389 I HN 0.440 nan 8.210 nan 0.000 0.467 390 I N 2.047 122.324 120.570 -0.488 0.000 2.563 390 I HA 0.292 4.462 4.170 0.001 0.000 0.285 390 I C -1.490 174.465 176.117 -0.269 0.000 1.123 390 I CA -0.280 60.841 61.300 -0.299 0.000 1.059 390 I CB 1.597 39.498 38.000 -0.165 0.000 1.229 390 I HN 0.467 nan 8.210 nan 0.000 0.442 391 Y N 5.332 125.635 120.300 0.005 0.000 2.313 391 Y HA 0.516 5.066 4.550 0.001 0.000 0.332 391 Y C 0.160 176.081 175.900 0.035 0.000 1.071 391 Y CA -0.924 57.197 58.100 0.035 0.000 1.169 391 Y CB 1.411 39.913 38.460 0.071 0.000 1.192 391 Y HN 0.136 nan 8.280 nan 0.000 0.487 392 V N 3.138 123.171 119.914 0.198 0.000 2.384 392 V HA 0.671 4.792 4.120 0.001 0.000 0.287 392 V C -0.360 175.808 176.094 0.123 0.000 1.020 392 V CA -0.419 61.956 62.300 0.125 0.000 0.850 392 V CB 1.181 33.060 31.823 0.094 0.000 0.987 392 V HN 0.797 nan 8.190 nan 0.000 0.436 393 S N 3.546 119.287 115.700 0.070 0.000 2.608 393 S HA 0.561 5.031 4.470 0.001 0.000 0.285 393 S C 0.403 174.966 174.600 -0.061 0.000 1.108 393 S CA 0.237 58.442 58.200 0.009 0.000 0.858 393 S CB 1.471 64.673 63.200 0.004 0.000 1.077 393 S HN 1.160 nan 8.310 nan 0.000 0.450 394 A N 2.046 124.800 122.820 -0.110 0.000 2.067 394 A HA 0.271 4.591 4.320 0.001 0.000 0.217 394 A C 1.119 178.600 177.584 -0.172 0.000 1.156 394 A CA 1.456 53.424 52.037 -0.114 0.000 0.683 394 A CB -0.462 18.480 19.000 -0.097 0.000 0.808 394 A HN 1.366 nan 8.150 nan 0.000 0.455 395 T N -0.339 114.017 114.554 -0.331 0.000 3.624 395 T HA 0.333 4.683 4.350 0.001 0.000 0.244 395 T C -3.000 171.529 174.700 -0.286 0.000 1.063 395 T CA -1.542 60.357 62.100 -0.335 0.000 1.252 395 T CB 0.316 68.940 68.868 -0.407 0.000 1.021 395 T HN 0.122 nan 8.240 nan 0.000 0.590 396 P HA 0.075 nan 4.420 nan 0.000 0.263 396 P C 0.894 178.195 177.300 0.003 0.000 1.162 396 P CA 0.507 63.583 63.100 -0.040 0.000 0.758 396 P CB 0.420 32.110 31.700 -0.018 0.000 0.773 397 G N 3.897 112.726 108.800 0.049 0.000 2.621 397 G HA2 0.269 4.229 3.960 0.001 0.000 0.271 397 G HA3 0.269 4.229 3.960 0.001 0.000 0.271 397 G C -1.557 173.364 174.900 0.034 0.000 1.236 397 G CA -1.101 44.033 45.100 0.057 0.000 0.958 397 G HN 0.274 nan 8.290 nan 0.000 0.512 398 P HA -0.107 nan 4.420 nan 0.000 0.221 398 P C 1.172 178.508 177.300 0.060 0.000 1.150 398 P CA 0.744 63.864 63.100 0.033 0.000 0.800 398 P CB 0.053 31.769 31.700 0.027 0.000 0.787 399 Y N 1.858 122.146 120.300 -0.019 0.000 2.163 399 Y HA -0.211 4.339 4.550 0.001 0.000 0.288 399 Y C 2.043 177.988 175.900 0.075 0.000 1.136 399 Y CA 1.836 59.965 58.100 0.049 0.000 1.147 399 Y CB -0.540 37.894 38.460 -0.043 0.000 0.987 399 Y HN -0.113 nan 8.280 nan 0.000 0.509 400 E N 0.435 120.642 120.200 0.011 0.000 2.077 400 E HA -0.180 4.170 4.350 0.001 0.000 0.193 400 E C 2.123 178.716 176.600 -0.013 0.000 0.989 400 E CA 1.747 58.061 56.400 -0.142 0.000 0.800 400 E CB -0.477 29.049 29.700 -0.290 0.000 0.746 400 E HN 0.509 nan 8.360 nan 0.000 0.452 401 L N 0.599 121.811 121.223 -0.017 0.000 2.109 401 L HA -0.116 4.224 4.340 0.001 0.000 0.207 401 L C 2.272 179.112 176.870 -0.049 0.000 1.086 401 L CA 1.450 56.281 54.840 -0.015 0.000 0.760 401 L CB -0.490 41.559 42.059 -0.017 0.000 0.910 401 L HN 0.205 nan 8.230 nan 0.000 0.437 402 E N -1.444 118.697 120.200 -0.098 0.000 2.502 402 E HA -0.150 4.201 4.350 0.001 0.000 0.194 402 E C 1.281 177.658 176.600 -0.372 0.000 1.062 402 E CA 0.868 57.145 56.400 -0.205 0.000 0.867 402 E CB 0.008 29.576 29.700 -0.221 0.000 0.888 402 E HN 0.536 nan 8.360 nan 0.000 0.510 403 H N -1.047 117.913 119.070 -0.183 0.000 3.205 403 H HA 0.354 4.910 4.556 0.001 0.000 0.252 403 H C -0.099 175.178 175.328 -0.084 0.000 1.015 403 H CA 0.075 56.012 56.048 -0.185 0.000 1.192 403 H CB 1.140 30.771 29.762 -0.218 0.000 1.474 403 H HN -0.037 nan 8.280 nan 0.000 0.484 404 S N 2.028 117.785 115.700 0.095 0.000 2.585 404 S HA 0.224 4.695 4.470 0.001 0.000 0.277 404 S C -2.368 172.249 174.600 0.028 0.000 1.241 404 S CA -1.312 56.953 58.200 0.108 0.000 1.041 404 S CB 1.048 64.346 63.200 0.163 0.000 0.987 404 S HN 0.144 nan 8.310 nan 0.000 0.512 405 P HA 0.286 nan 4.420 nan 0.000 0.238 405 P C 0.394 177.699 177.300 0.008 0.000 1.794 405 P CA 0.188 63.288 63.100 0.001 0.000 1.088 405 P CB -0.517 31.182 31.700 -0.001 0.000 1.923 406 G N 1.320 110.122 108.800 0.004 0.000 2.796 406 G HA2 -0.083 3.877 3.960 0.001 0.000 0.226 406 G HA3 -0.083 3.877 3.960 0.001 0.000 0.226 406 G C -0.270 174.642 174.900 0.020 0.000 1.381 406 G CA -0.302 44.801 45.100 0.005 0.000 0.867 406 G HN 0.619 nan 8.290 nan 0.000 0.552 407 V N -3.461 116.462 119.914 0.015 0.000 3.302 407 V HA 0.907 5.028 4.120 0.001 0.000 0.304 407 V C 0.247 176.350 176.094 0.016 0.000 1.209 407 V CA -0.285 62.028 62.300 0.022 0.000 1.032 407 V CB 1.894 33.726 31.823 0.015 0.000 1.219 407 V HN 1.645 nan 8.190 nan 0.000 0.469 408 V N 1.810 121.733 119.914 0.016 0.000 2.385 408 V HA 0.406 4.526 4.120 0.001 0.000 0.277 408 V C -0.118 175.976 176.094 -0.000 0.000 1.012 408 V CA -0.362 61.943 62.300 0.008 0.000 0.832 408 V CB 0.881 32.710 31.823 0.011 0.000 1.028 408 V HN 0.979 nan 8.190 nan 0.000 0.436 409 E N 3.740 123.936 120.200 -0.008 0.000 2.384 409 E HA 0.221 4.572 4.350 0.001 0.000 0.266 409 E C -0.135 176.449 176.600 -0.027 0.000 1.012 409 E CA -0.032 56.358 56.400 -0.018 0.000 0.901 409 E CB 1.259 30.946 29.700 -0.022 0.000 0.967 409 E HN 0.676 nan 8.360 nan 0.000 0.435 410 Q N 4.036 123.815 119.800 -0.035 0.000 2.878 410 Q HA 0.182 4.522 4.340 0.001 0.000 0.232 410 Q C -0.753 175.208 176.000 -0.066 0.000 0.893 410 Q CA -0.235 55.538 55.803 -0.049 0.000 0.742 410 Q CB 0.415 29.134 28.738 -0.033 0.000 1.354 410 Q HN 0.593 nan 8.270 nan 0.000 0.466 411 I N 1.618 122.132 120.570 -0.093 0.000 3.241 411 I HA 0.460 4.630 4.170 0.001 0.000 0.333 411 I C -1.163 174.867 176.117 -0.145 0.000 1.534 411 I CA -0.393 60.848 61.300 -0.099 0.000 0.979 411 I CB 0.117 38.071 38.000 -0.077 0.000 1.497 411 I HN 0.483 nan 8.210 nan 0.000 0.530 412 I N 3.371 123.826 120.570 -0.192 0.000 2.448 412 I HA 0.377 4.548 4.170 0.001 0.000 0.281 412 I C 0.198 176.184 176.117 -0.219 0.000 1.027 412 I CA -0.487 60.646 61.300 -0.277 0.000 1.111 412 I CB 1.214 38.895 38.000 -0.531 0.000 1.236 412 I HN 0.174 nan 8.210 nan 0.000 0.452 413 R N 7.011 127.415 120.500 -0.160 0.000 2.643 413 R HA 0.152 4.493 4.340 0.001 0.000 0.270 413 R C -1.599 174.621 176.300 -0.134 0.000 1.061 413 R CA -1.258 54.765 56.100 -0.128 0.000 1.107 413 R CB 0.174 30.419 30.300 -0.091 0.000 0.999 413 R HN 0.324 nan 8.270 nan 0.000 0.460 414 P HA -0.150 nan 4.420 nan 0.000 0.218 414 P C 0.815 178.068 177.300 -0.079 0.000 1.148 414 P CA 1.457 64.482 63.100 -0.125 0.000 0.822 414 P CB -0.034 31.558 31.700 -0.180 0.000 0.784 415 T N -3.434 111.076 114.554 -0.072 0.000 3.085 415 T HA 0.233 4.583 4.350 0.001 0.000 0.263 415 T C 1.533 176.221 174.700 -0.020 0.000 1.127 415 T CA 0.651 62.726 62.100 -0.042 0.000 1.103 415 T CB -0.999 67.845 68.868 -0.040 0.000 0.921 415 T HN 0.288 nan 8.240 nan 0.000 0.510 416 G N 1.319 110.101 108.800 -0.030 0.000 2.198 416 G HA2 -0.220 3.741 3.960 0.001 0.000 0.257 416 G HA3 -0.220 3.741 3.960 0.001 0.000 0.257 416 G C -0.077 174.819 174.900 -0.007 0.000 1.042 416 G CA -0.057 45.041 45.100 -0.004 0.000 0.791 416 G HN 0.557 nan 8.290 nan 0.000 0.502 417 L N -0.535 120.673 121.223 -0.025 0.000 2.456 417 L HA 0.736 5.076 4.340 0.001 0.000 0.257 417 L C 0.511 177.367 176.870 -0.023 0.000 1.162 417 L CA -1.002 53.826 54.840 -0.020 0.000 0.808 417 L CB 0.803 42.847 42.059 -0.024 0.000 1.136 417 L HN 0.220 nan 8.230 nan 0.000 0.466 418 L N -1.250 119.964 121.223 -0.015 0.000 2.422 418 L HA 0.518 4.858 4.340 0.001 0.000 0.264 418 L C -0.971 175.892 176.870 -0.013 0.000 0.984 418 L CA -1.367 53.463 54.840 -0.016 0.000 0.819 418 L CB 0.567 42.623 42.059 -0.005 0.000 1.330 418 L HN 0.273 nan 8.230 nan 0.000 0.410 419 D N 2.624 123.014 120.400 -0.018 0.000 2.525 419 D HA 0.206 4.846 4.640 0.001 0.000 0.235 419 D C -2.055 174.242 176.300 -0.005 0.000 1.137 419 D CA -0.294 53.696 54.000 -0.017 0.000 0.868 419 D CB 0.231 41.017 40.800 -0.024 0.000 1.180 419 D HN 0.400 nan 8.370 nan 0.000 0.465 420 P HA 0.025 nan 4.420 nan 0.000 0.273 420 P C -0.177 177.145 177.300 0.037 0.000 1.258 420 P CA -0.075 63.041 63.100 0.026 0.000 0.802 420 P CB 0.288 31.997 31.700 0.015 0.000 1.040 421 T N -2.110 112.506 114.554 0.104 0.000 2.929 421 T HA 0.730 5.081 4.350 0.001 0.000 0.284 421 T C -0.097 174.649 174.700 0.076 0.000 1.014 421 T CA -0.727 61.446 62.100 0.121 0.000 1.051 421 T CB 0.555 69.524 68.868 0.169 0.000 1.028 421 T HN 0.138 nan 8.240 nan 0.000 0.485 422 I N 1.409 121.982 120.570 0.005 0.000 2.498 422 I HA 0.476 4.646 4.170 0.001 0.000 0.290 422 I C -1.012 175.046 176.117 -0.099 0.000 1.032 422 I CA -0.888 60.335 61.300 -0.128 0.000 1.073 422 I CB 2.049 39.985 38.000 -0.107 0.000 1.251 422 I HN 0.567 nan 8.210 nan 0.000 0.426 423 D N 4.446 124.719 120.400 -0.212 0.000 2.269 423 D HA 0.627 5.267 4.640 0.001 0.000 0.244 423 D C -0.787 175.408 176.300 -0.176 0.000 0.992 423 D CA -0.291 53.634 54.000 -0.126 0.000 0.894 423 D CB 3.179 43.939 40.800 -0.065 0.000 1.248 423 D HN 0.141 nan 8.370 nan 0.000 0.468 424 V N 2.814 122.656 119.914 -0.119 0.000 2.488 424 V HA 0.442 4.563 4.120 0.001 0.000 0.293 424 V C -0.282 175.770 176.094 -0.070 0.000 1.027 424 V CA -0.821 61.408 62.300 -0.119 0.000 0.862 424 V CB 1.401 33.180 31.823 -0.072 0.000 1.008 424 V HN 0.387 nan 8.190 nan 0.000 0.428 425 R N 3.684 124.141 120.500 -0.072 0.000 2.803 425 R HA 0.629 4.969 4.340 0.001 0.000 0.276 425 R C -3.000 173.396 176.300 0.160 0.000 0.978 425 R CA -2.274 53.859 56.100 0.057 0.000 0.939 425 R CB 1.724 32.094 30.300 0.118 0.000 1.179 425 R HN 0.286 nan 8.270 nan 0.000 0.472 426 P HA -0.084 nan 4.420 nan 0.000 0.267 426 P C 0.832 178.193 177.300 0.101 0.000 1.195 426 P CA 0.454 63.608 63.100 0.089 0.000 0.773 426 P CB 0.464 32.195 31.700 0.052 0.000 0.837 427 T N -1.313 113.269 114.554 0.046 0.000 3.043 427 T HA -0.018 4.332 4.350 0.001 0.000 0.263 427 T C 0.743 175.412 174.700 -0.053 0.000 1.094 427 T CA 0.343 62.440 62.100 -0.005 0.000 1.127 427 T CB -0.188 68.681 68.868 0.002 0.000 0.905 427 T HN 0.249 nan 8.240 nan 0.000 0.490 428 K N 1.741 122.124 120.400 -0.027 0.000 2.402 428 K HA 0.337 4.657 4.320 0.001 0.000 0.285 428 K C 1.050 177.617 176.600 -0.055 0.000 1.054 428 K CA 0.699 56.964 56.287 -0.036 0.000 1.001 428 K CB -0.308 32.182 32.500 -0.016 0.000 0.946 428 K HN 0.473 nan 8.250 nan 0.000 0.473 429 G N 3.460 112.210 108.800 -0.082 0.000 2.147 429 G HA2 -0.340 3.621 3.960 0.001 0.000 0.244 429 G HA3 -0.340 3.621 3.960 0.001 0.000 0.244 429 G C 0.640 175.442 174.900 -0.163 0.000 1.005 429 G CA 0.788 45.830 45.100 -0.098 0.000 0.713 429 G HN 0.862 nan 8.290 nan 0.000 0.515 430 Q N -0.582 119.068 119.800 -0.250 0.000 2.224 430 Q HA -0.022 4.319 4.340 0.001 0.000 0.203 430 Q C 2.400 178.067 176.000 -0.555 0.000 0.970 430 Q CA 1.561 57.049 55.803 -0.526 0.000 0.865 430 Q CB -0.170 28.183 28.738 -0.642 0.000 0.922 430 Q HN 0.538 nan 8.270 nan 0.000 0.445 431 I N 1.550 121.898 120.570 -0.371 0.000 2.339 431 I HA -0.118 4.053 4.170 0.001 0.000 0.245 431 I C 1.478 177.431 176.117 -0.275 0.000 1.096 431 I CA 0.922 62.013 61.300 -0.349 0.000 1.408 431 I CB -1.129 36.615 38.000 -0.426 0.000 1.092 431 I HN 0.150 nan 8.210 nan 0.000 0.423 432 D N 1.041 121.305 120.400 -0.228 0.000 2.310 432 D HA -0.178 4.463 4.640 0.001 0.000 0.212 432 D C 1.867 178.111 176.300 -0.093 0.000 0.965 432 D CA 0.914 54.825 54.000 -0.149 0.000 0.879 432 D CB -0.045 40.688 40.800 -0.112 0.000 0.921 432 D HN 0.438 nan 8.370 nan 0.000 0.510 433 D N 0.442 120.783 120.400 -0.098 0.000 2.110 433 D HA -0.107 4.534 4.640 0.001 0.000 0.202 433 D C 2.107 178.419 176.300 0.020 0.000 0.975 433 D CA 0.181 54.169 54.000 -0.020 0.000 0.839 433 D CB 0.125 40.936 40.800 0.018 0.000 0.996 433 D HN 0.117 nan 8.370 nan 0.000 0.464 434 L N 0.937 122.151 121.223 -0.016 0.000 2.450 434 L HA -0.025 4.315 4.340 0.001 0.000 0.224 434 L C 2.037 178.913 176.870 0.010 0.000 1.149 434 L CA 0.862 55.737 54.840 0.059 0.000 0.816 434 L CB -0.217 41.847 42.059 0.008 0.000 0.932 434 L HN 0.106 nan 8.230 nan 0.000 0.449 435 I N -1.285 119.264 120.570 -0.034 0.000 2.400 435 I HA -0.041 4.129 4.170 0.001 0.000 0.248 435 I C 2.437 178.552 176.117 -0.003 0.000 1.109 435 I CA 0.892 62.175 61.300 -0.028 0.000 1.425 435 I CB -0.964 37.002 38.000 -0.056 0.000 1.094 435 I HN 0.333 nan 8.210 nan 0.000 0.425 436 G N 0.565 109.364 108.800 -0.001 0.000 2.433 436 G HA2 -0.189 3.771 3.960 0.001 0.000 0.216 436 G HA3 -0.189 3.771 3.960 0.001 0.000 0.216 436 G C 1.434 176.348 174.900 0.023 0.000 1.186 436 G CA 0.372 45.478 45.100 0.010 0.000 0.779 436 G HN 0.272 nan 8.290 nan 0.000 0.543 437 E N -0.222 120.002 120.200 0.040 0.000 2.515 437 E HA 0.028 4.378 4.350 0.001 0.000 0.201 437 E C 1.962 178.588 176.600 0.044 0.000 1.071 437 E CA 0.218 56.648 56.400 0.051 0.000 0.880 437 E CB 0.232 29.981 29.700 0.081 0.000 0.828 437 E HN 0.526 nan 8.360 nan 0.000 0.540 438 I N -0.345 120.245 120.570 0.033 0.000 3.300 438 I HA -0.080 4.091 4.170 0.001 0.000 0.279 438 I C 2.311 178.442 176.117 0.022 0.000 1.172 438 I CA 0.036 61.353 61.300 0.028 0.000 1.431 438 I CB 0.247 38.261 38.000 0.023 0.000 1.240 438 I HN -0.094 nan 8.210 nan 0.000 0.453 439 R N 0.638 121.149 120.500 0.018 0.000 2.083 439 R HA -0.191 4.150 4.340 0.001 0.000 0.237 439 R C 1.906 178.215 176.300 0.015 0.000 1.137 439 R CA 1.327 57.436 56.100 0.016 0.000 0.951 439 R CB -0.466 29.841 30.300 0.012 0.000 0.851 439 R HN 0.331 nan 8.270 nan 0.000 0.434 440 E N 0.389 120.598 120.200 0.014 0.000 2.333 440 E HA -0.195 4.155 4.350 0.001 0.000 0.200 440 E C 1.755 178.362 176.600 0.012 0.000 1.010 440 E CA 1.014 57.421 56.400 0.012 0.000 0.841 440 E CB 0.050 29.756 29.700 0.011 0.000 0.757 440 E HN 0.107 nan 8.360 nan 0.000 0.508 441 R N -0.633 119.877 120.500 0.017 0.000 2.223 441 R HA 0.044 4.384 4.340 0.001 0.000 0.198 441 R C 2.067 178.377 176.300 0.016 0.000 0.984 441 R CA 0.109 56.220 56.100 0.017 0.000 1.018 441 R CB -0.012 30.302 30.300 0.023 0.000 0.945 441 R HN -0.039 nan 8.270 nan 0.000 0.479 442 V N 0.529 120.454 119.914 0.017 0.000 2.591 442 V HA -0.085 4.035 4.120 0.001 0.000 0.249 442 V C 1.383 177.484 176.094 0.012 0.000 1.053 442 V CA 1.476 63.786 62.300 0.017 0.000 1.068 442 V CB -0.010 31.825 31.823 0.019 0.000 0.689 442 V HN 0.278 nan 8.190 nan 0.000 0.462 443 E N 0.145 120.351 120.200 0.010 0.000 2.347 443 E HA -0.035 4.315 4.350 0.001 0.000 0.196 443 E C 1.391 177.994 176.600 0.005 0.000 1.008 443 E CA 0.450 56.853 56.400 0.007 0.000 0.852 443 E CB 0.049 29.753 29.700 0.006 0.000 0.783 443 E HN 0.522 nan 8.360 nan 0.000 0.505 444 R N 0.621 121.125 120.500 0.006 0.000 2.546 444 R HA 0.099 4.440 4.340 0.001 0.000 0.320 444 R C 0.029 176.332 176.300 0.006 0.000 1.021 444 R CA -0.353 55.749 56.100 0.004 0.000 1.088 444 R CB -0.321 29.980 30.300 0.002 0.000 1.278 444 R HN -0.012 nan 8.270 nan 0.000 0.557 445 N N 2.143 120.847 118.700 0.007 0.000 2.725 445 N HA -0.207 4.534 4.740 0.001 0.000 0.251 445 N C -1.239 174.278 175.510 0.011 0.000 1.031 445 N CA 0.874 53.929 53.050 0.008 0.000 0.720 445 N CB -0.643 37.847 38.487 0.005 0.000 0.930 445 N HN 0.446 nan 8.380 nan 0.000 0.543 446 E N -0.259 119.950 120.200 0.014 0.000 2.288 446 E HA 0.452 4.803 4.350 0.001 0.000 0.268 446 E C -0.362 176.251 176.600 0.022 0.000 0.885 446 E CA -0.960 55.450 56.400 0.017 0.000 0.767 446 E CB 1.024 30.732 29.700 0.014 0.000 1.220 446 E HN 0.141 nan 8.360 nan 0.000 0.427 447 R N 1.000 121.515 120.500 0.024 0.000 2.532 447 R HA 0.547 4.887 4.340 0.001 0.000 0.272 447 R C -0.283 176.030 176.300 0.021 0.000 1.032 447 R CA -0.480 55.637 56.100 0.029 0.000 1.089 447 R CB 0.998 31.318 30.300 0.034 0.000 1.098 447 R HN 0.502 nan 8.270 nan 0.000 0.526 448 T N 0.512 115.076 114.554 0.018 0.000 2.926 448 T HA 0.684 5.034 4.350 0.001 0.000 0.289 448 T C -0.124 174.569 174.700 -0.011 0.000 1.054 448 T CA -0.833 61.271 62.100 0.007 0.000 1.015 448 T CB 1.504 70.379 68.868 0.011 0.000 1.167 448 T HN 0.263 nan 8.240 nan 0.000 0.526 449 L N 1.440 122.650 121.223 -0.022 0.000 2.505 449 L HA 0.636 4.976 4.340 0.001 0.000 0.266 449 L C -1.162 175.682 176.870 -0.043 0.000 0.954 449 L CA -1.004 53.810 54.840 -0.043 0.000 0.852 449 L CB 2.105 44.140 42.059 -0.040 0.000 1.282 449 L HN 0.424 nan 8.230 nan 0.000 0.403 450 V N 0.619 120.497 119.914 -0.061 0.000 2.960 450 V HA 0.749 4.869 4.120 0.001 0.000 0.315 450 V C -0.246 175.814 176.094 -0.056 0.000 1.087 450 V CA -0.642 61.633 62.300 -0.042 0.000 0.982 450 V CB 2.179 33.982 31.823 -0.033 0.000 1.039 450 V HN 0.772 nan 8.190 nan 0.000 0.437 451 T N 1.222 115.758 114.554 -0.030 0.000 2.993 451 T HA 0.679 5.029 4.350 0.001 0.000 0.312 451 T C -0.446 174.250 174.700 -0.007 0.000 1.115 451 T CA -0.067 62.017 62.100 -0.028 0.000 1.027 451 T CB 1.701 70.551 68.868 -0.029 0.000 1.116 451 T HN 0.981 nan 8.240 nan 0.000 0.464 452 T N 3.469 118.021 114.554 -0.003 0.000 2.633 452 T HA 0.570 4.920 4.350 0.001 0.000 0.262 452 T C 0.805 175.513 174.700 0.014 0.000 0.920 452 T CA -0.792 61.313 62.100 0.009 0.000 1.062 452 T CB 0.937 69.812 68.868 0.012 0.000 1.390 452 T HN 0.441 nan 8.240 nan 0.000 0.549 453 L N 0.274 121.508 121.223 0.020 0.000 2.694 453 L HA 0.274 4.614 4.340 0.001 0.000 0.228 453 L C 0.626 177.515 176.870 0.031 0.000 1.048 453 L CA 0.451 55.306 54.840 0.024 0.000 0.887 453 L CB 0.664 42.736 42.059 0.021 0.000 1.265 453 L HN 0.896 nan 8.230 nan 0.000 0.492 454 T N -3.369 111.203 114.554 0.029 0.000 2.859 454 T HA 0.144 4.494 4.350 0.001 0.000 0.281 454 T C 0.564 175.286 174.700 0.038 0.000 1.005 454 T CA -0.626 61.493 62.100 0.031 0.000 1.025 454 T CB 2.054 70.937 68.868 0.025 0.000 0.977 454 T HN 0.028 nan 8.240 nan 0.000 0.458 455 K N 0.717 121.144 120.400 0.044 0.000 2.504 455 K HA 0.042 4.363 4.320 0.001 0.000 0.195 455 K C 1.219 177.846 176.600 0.045 0.000 1.036 455 K CA 0.477 56.797 56.287 0.056 0.000 0.984 455 K CB 0.075 32.611 32.500 0.060 0.000 0.788 455 K HN 0.430 nan 8.250 nan 0.000 0.488 456 K N -0.237 120.182 120.400 0.033 0.000 2.358 456 K HA 0.060 4.381 4.320 0.001 0.000 0.197 456 K C 1.330 177.947 176.600 0.028 0.000 1.025 456 K CA -0.011 56.292 56.287 0.026 0.000 1.104 456 K CB 0.493 33.003 32.500 0.018 0.000 0.855 456 K HN 0.133 nan 8.250 nan 0.000 0.531 457 M N 0.310 119.929 119.600 0.031 0.000 2.552 457 M HA 0.180 4.661 4.480 0.001 0.000 0.264 457 M C 1.863 178.183 176.300 0.033 0.000 1.159 457 M CA 0.617 55.935 55.300 0.030 0.000 1.176 457 M CB -0.396 32.218 32.600 0.023 0.000 1.327 457 M HN 0.012 nan 8.290 nan 0.000 0.481 458 A N -0.106 122.734 122.820 0.033 0.000 1.877 458 A HA -0.184 4.136 4.320 0.001 0.000 0.216 458 A C 2.096 179.703 177.584 0.039 0.000 1.186 458 A CA 1.984 54.038 52.037 0.029 0.000 0.620 458 A CB -0.817 18.204 19.000 0.035 0.000 0.822 458 A HN 0.576 nan 8.150 nan 0.000 0.443 459 E N -0.456 119.772 120.200 0.047 0.000 2.058 459 E HA -0.236 4.115 4.350 0.001 0.000 0.194 459 E C 1.464 178.088 176.600 0.040 0.000 0.997 459 E CA 1.232 57.659 56.400 0.045 0.000 0.801 459 E CB -0.139 29.582 29.700 0.036 0.000 0.746 459 E HN 0.499 nan 8.360 nan 0.000 0.450 460 D N -0.040 120.385 120.400 0.042 0.000 2.311 460 D HA -0.150 4.490 4.640 0.001 0.000 0.212 460 D C 1.743 178.112 176.300 0.116 0.000 0.972 460 D CA 0.547 54.580 54.000 0.055 0.000 0.887 460 D CB 0.179 41.014 40.800 0.058 0.000 0.915 460 D HN 0.155 nan 8.370 nan 0.000 0.497 461 L N -0.421 120.861 121.223 0.099 0.000 2.276 461 L HA -0.019 4.322 4.340 0.001 0.000 0.194 461 L C 2.287 179.220 176.870 0.105 0.000 1.099 461 L CA 1.000 55.910 54.840 0.117 0.000 0.800 461 L CB -0.802 41.285 42.059 0.046 0.000 0.994 461 L HN -0.158 nan 8.230 nan 0.000 0.475 462 T N 0.512 115.099 114.554 0.055 0.000 2.616 462 T HA -0.310 4.040 4.350 0.001 0.000 0.261 462 T C 1.394 176.132 174.700 0.064 0.000 1.105 462 T CA 2.214 64.340 62.100 0.043 0.000 1.159 462 T CB -0.677 68.212 68.868 0.036 0.000 0.856 462 T HN 0.488 nan 8.240 nan 0.000 0.449 463 D N -0.457 119.980 120.400 0.062 0.000 2.097 463 D HA -0.067 4.573 4.640 0.001 0.000 0.197 463 D C 1.894 178.246 176.300 0.088 0.000 0.984 463 D CA 1.080 55.108 54.000 0.047 0.000 0.826 463 D CB -0.641 40.158 40.800 -0.001 0.000 0.973 463 D HN 0.529 nan 8.370 nan 0.000 0.460 464 Y N 1.377 121.676 120.300 -0.003 0.000 2.181 464 Y HA -0.235 4.316 4.550 0.001 0.000 0.284 464 Y C 2.508 178.405 175.900 -0.005 0.000 1.179 464 Y CA 0.685 58.780 58.100 -0.007 0.000 1.179 464 Y CB 0.016 38.467 38.460 -0.016 0.000 0.973 464 Y HN -0.064 nan 8.280 nan 0.000 0.519 465 L N -0.332 121.002 121.223 0.185 0.000 1.988 465 L HA -0.253 4.087 4.340 0.001 0.000 0.207 465 L C 2.409 179.329 176.870 0.084 0.000 1.071 465 L CA 1.530 56.426 54.840 0.094 0.000 0.744 465 L CB -0.690 41.402 42.059 0.055 0.000 0.893 465 L HN 0.104 nan 8.230 nan 0.000 0.433 466 K N 0.104 120.552 120.400 0.079 0.000 2.103 466 K HA -0.234 4.087 4.320 0.001 0.000 0.207 466 K C 1.959 178.597 176.600 0.064 0.000 1.048 466 K CA 1.308 57.635 56.287 0.067 0.000 0.930 466 K CB -0.044 32.493 32.500 0.061 0.000 0.716 466 K HN 0.214 nan 8.250 nan 0.000 0.444 467 E N -0.455 119.791 120.200 0.076 0.000 2.515 467 E HA -0.111 4.239 4.350 0.001 0.000 0.201 467 E C 0.818 177.471 176.600 0.087 0.000 1.071 467 E CA 0.421 56.865 56.400 0.072 0.000 0.880 467 E CB 0.191 29.929 29.700 0.064 0.000 0.828 467 E HN 0.336 nan 8.360 nan 0.000 0.540 468 A N -0.207 122.664 122.820 0.085 0.000 2.303 468 A HA 0.350 4.670 4.320 0.001 0.000 0.217 468 A C 1.183 178.793 177.584 0.044 0.000 1.205 468 A CA 0.629 52.705 52.037 0.064 0.000 0.875 468 A CB 0.407 19.439 19.000 0.053 0.000 0.910 468 A HN 0.245 nan 8.150 nan 0.000 0.501 469 G N -0.251 108.576 108.800 0.045 0.000 2.520 469 G HA2 -0.111 3.850 3.960 0.001 0.000 0.264 469 G HA3 -0.111 3.850 3.960 0.001 0.000 0.264 469 G C -0.479 174.444 174.900 0.037 0.000 1.140 469 G CA 0.171 45.293 45.100 0.037 0.000 1.012 469 G HN 0.514 nan 8.290 nan 0.000 0.511 470 I N -0.897 119.701 120.570 0.046 0.000 2.692 470 I HA 0.366 4.536 4.170 0.001 0.000 0.293 470 I C -0.035 176.125 176.117 0.072 0.000 1.200 470 I CA -1.138 60.192 61.300 0.051 0.000 1.036 470 I CB 2.095 40.122 38.000 0.045 0.000 1.258 470 I HN 0.011 nan 8.210 nan 0.000 0.421 471 K N 4.257 124.707 120.400 0.084 0.000 2.382 471 K HA 0.382 4.703 4.320 0.001 0.000 0.286 471 K C -0.827 175.884 176.600 0.185 0.000 1.062 471 K CA 0.069 56.439 56.287 0.140 0.000 1.000 471 K CB 0.332 32.902 32.500 0.117 0.000 0.954 471 K HN 0.299 nan 8.250 nan 0.000 0.470 472 V N 2.055 122.076 119.914 0.178 0.000 2.919 472 V HA 0.626 4.746 4.120 0.001 0.000 0.316 472 V C 0.599 176.666 176.094 -0.044 0.000 1.077 472 V CA -1.044 61.302 62.300 0.077 0.000 0.977 472 V CB 1.693 33.540 31.823 0.041 0.000 1.039 472 V HN 0.856 nan 8.190 nan 0.000 0.441 473 A N 1.960 124.663 122.820 -0.195 0.000 2.918 473 A HA 0.615 4.936 4.320 0.001 0.000 0.217 473 A C 0.067 177.549 177.584 -0.170 0.000 1.936 473 A CA 0.393 52.203 52.037 -0.379 0.000 0.878 473 A CB -0.193 18.576 19.000 -0.386 0.000 1.828 473 A HN 1.062 nan 8.150 nan 0.000 0.716 474 Y N -2.838 117.355 120.300 -0.177 0.000 2.540 474 Y HA 0.655 5.205 4.550 0.001 0.000 0.371 474 Y C 0.509 176.390 175.900 -0.031 0.000 1.337 474 Y CA -0.529 57.520 58.100 -0.086 0.000 1.590 474 Y CB 0.499 38.911 38.460 -0.081 0.000 1.676 474 Y HN 0.428 nan 8.280 nan 0.000 0.614 475 L N -0.645 120.941 121.223 0.604 0.000 3.923 475 L HA 0.211 4.552 4.340 0.001 0.000 0.374 475 L C -0.823 176.312 176.870 0.441 0.000 1.137 475 L CA 0.264 55.346 54.840 0.403 0.000 1.351 475 L CB -0.545 41.623 42.059 0.182 0.000 1.720 475 L HN 0.947 nan 8.230 nan 0.000 0.634 476 H N 1.307 120.479 119.070 0.171 0.000 2.594 476 H HA 0.237 4.793 4.556 0.001 0.000 0.304 476 H C 1.074 176.229 175.328 -0.288 0.000 1.068 476 H CA 0.497 56.497 56.048 -0.080 0.000 1.308 476 H CB 1.374 31.053 29.762 -0.138 0.000 1.409 476 H HN 0.318 nan 8.280 nan 0.000 0.460 477 S N 3.907 119.658 115.700 0.086 0.000 2.444 477 S HA -0.284 4.186 4.470 0.001 0.000 0.225 477 S C 0.601 174.972 174.600 -0.381 0.000 1.042 477 S CA 1.427 59.594 58.200 -0.054 0.000 1.132 477 S CB -0.538 62.719 63.200 0.095 0.000 1.099 477 S HN 0.838 nan 8.310 nan 0.000 0.417 478 E N 2.472 122.455 120.200 -0.360 0.000 1.852 478 E HA 0.379 4.729 4.350 0.001 0.000 0.276 478 E C -0.591 175.608 176.600 -0.669 0.000 1.163 478 E CA -0.362 55.827 56.400 -0.352 0.000 1.117 478 E CB -0.766 28.890 29.700 -0.073 0.000 1.124 478 E HN 0.594 nan 8.360 nan 0.000 0.458 479 I N 0.407 120.529 120.570 -0.746 0.000 3.184 479 I HA 0.252 4.423 4.170 0.001 0.000 0.311 479 I C -0.044 175.919 176.117 -0.256 0.000 1.243 479 I CA -1.032 59.927 61.300 -0.568 0.000 1.393 479 I CB -1.307 36.354 38.000 -0.565 0.000 1.471 479 I HN 0.136 nan 8.210 nan 0.000 0.540 480 K N 0.630 120.928 120.400 -0.170 0.000 2.768 480 K HA -0.222 4.098 4.320 0.001 0.000 0.347 480 K C 0.776 177.323 176.600 -0.088 0.000 1.714 480 K CA 1.331 57.565 56.287 -0.089 0.000 0.617 480 K CB -2.041 30.425 32.500 -0.058 0.000 0.986 480 K HN 0.356 nan 8.250 nan 0.000 0.668 481 T N -0.672 113.847 114.554 -0.058 0.000 3.220 481 T HA 0.171 4.522 4.350 0.001 0.000 0.262 481 T C 1.480 176.165 174.700 -0.024 0.000 0.843 481 T CA 0.449 62.524 62.100 -0.042 0.000 0.838 481 T CB 0.160 69.009 68.868 -0.032 0.000 1.262 481 T HN 0.287 nan 8.240 nan 0.000 0.613 482 L N 1.648 122.859 121.223 -0.020 0.000 2.034 482 L HA 0.375 4.716 4.340 0.001 0.000 0.203 482 L C 2.413 179.281 176.870 -0.003 0.000 1.074 482 L CA 1.547 56.384 54.840 -0.006 0.000 0.748 482 L CB -0.787 41.271 42.059 -0.002 0.000 0.905 482 L HN 0.122 nan 8.230 nan 0.000 0.439 483 E N 0.646 120.838 120.200 -0.012 0.000 2.208 483 E HA -0.218 4.133 4.350 0.001 0.000 0.193 483 E C 2.380 178.975 176.600 -0.009 0.000 0.988 483 E CA 0.389 56.786 56.400 -0.005 0.000 0.828 483 E CB 0.069 29.760 29.700 -0.014 0.000 0.763 483 E HN 0.361 nan 8.360 nan 0.000 0.478 484 R N 0.742 121.221 120.500 -0.035 0.000 2.070 484 R HA -0.163 4.177 4.340 0.001 0.000 0.233 484 R C 2.403 178.709 176.300 0.010 0.000 1.137 484 R CA 1.586 57.666 56.100 -0.034 0.000 0.945 484 R CB -0.485 29.780 30.300 -0.058 0.000 0.845 484 R HN 0.293 nan 8.270 nan 0.000 0.430 485 I N 1.399 121.975 120.570 0.010 0.000 2.454 485 I HA -0.206 3.965 4.170 0.001 0.000 0.254 485 I C 2.369 178.508 176.117 0.036 0.000 1.156 485 I CA 1.348 62.662 61.300 0.023 0.000 1.433 485 I CB -0.132 37.878 38.000 0.017 0.000 1.082 485 I HN 0.318 nan 8.210 nan 0.000 0.432 486 E N 0.448 120.670 120.200 0.036 0.000 2.077 486 E HA -0.206 4.144 4.350 0.001 0.000 0.193 486 E C 2.088 178.738 176.600 0.085 0.000 0.989 486 E CA 1.544 57.975 56.400 0.051 0.000 0.800 486 E CB -0.057 29.669 29.700 0.043 0.000 0.746 486 E HN 0.584 nan 8.360 nan 0.000 0.452 487 I N 0.207 120.835 120.570 0.096 0.000 3.226 487 I HA -0.092 4.078 4.170 0.001 0.000 0.277 487 I C 2.260 178.466 176.117 0.148 0.000 1.243 487 I CA 0.064 61.459 61.300 0.159 0.000 1.459 487 I CB 0.028 38.098 38.000 0.116 0.000 1.093 487 I HN 0.053 nan 8.210 nan 0.000 0.453 488 I N 1.111 121.739 120.570 0.097 0.000 2.179 488 I HA -0.306 3.865 4.170 0.001 0.000 0.242 488 I C 2.819 178.989 176.117 0.089 0.000 1.088 488 I CA 1.474 62.823 61.300 0.081 0.000 1.357 488 I CB -0.048 37.986 38.000 0.057 0.000 1.051 488 I HN 0.128 nan 8.210 nan 0.000 0.409 489 R N 0.735 121.282 120.500 0.079 0.000 2.091 489 R HA -0.229 4.111 4.340 0.001 0.000 0.238 489 R C 1.940 178.289 176.300 0.082 0.000 1.136 489 R CA 2.148 58.287 56.100 0.066 0.000 0.959 489 R CB -0.388 29.943 30.300 0.051 0.000 0.856 489 R HN 0.351 nan 8.270 nan 0.000 0.437 490 D N 0.135 120.613 120.400 0.129 0.000 2.182 490 D HA -0.172 4.468 4.640 0.001 0.000 0.201 490 D C 1.740 178.146 176.300 0.177 0.000 0.986 490 D CA 1.047 55.136 54.000 0.149 0.000 0.847 490 D CB -0.087 40.906 40.800 0.322 0.000 0.942 490 D HN 0.209 nan 8.370 nan 0.000 0.467 491 L N 1.475 122.846 121.223 0.248 0.000 2.049 491 L HA -0.042 4.298 4.340 0.001 0.000 0.203 491 L C 1.274 178.210 176.870 0.109 0.000 1.074 491 L CA 1.304 56.281 54.840 0.229 0.000 0.749 491 L CB -0.337 41.823 42.059 0.170 0.000 0.907 491 L HN -0.083 nan 8.230 nan 0.000 0.439 492 R N -0.105 120.441 120.500 0.077 0.000 4.980 492 R HA 0.095 4.435 4.340 0.001 0.000 0.190 492 R C 0.234 176.553 176.300 0.031 0.000 2.095 492 R CA 0.390 56.518 56.100 0.046 0.000 1.717 492 R CB -0.501 29.821 30.300 0.037 0.000 1.337 492 R HN 0.497 nan 8.270 nan 0.000 0.820 493 L N -1.511 119.727 121.223 0.025 0.000 3.927 493 L HA 0.224 4.564 4.340 0.001 0.000 0.388 493 L C 0.858 177.720 176.870 -0.013 0.000 1.022 493 L CA 0.522 55.364 54.840 0.003 0.000 1.497 493 L CB 0.924 42.981 42.059 -0.003 0.000 2.031 493 L HN 0.669 nan 8.230 nan 0.000 0.625 494 G N 0.164 108.955 108.800 -0.015 0.000 2.229 494 G HA2 -0.214 3.746 3.960 0.001 0.000 0.189 494 G HA3 -0.214 3.746 3.960 0.001 0.000 0.189 494 G C 0.892 175.740 174.900 -0.086 0.000 1.000 494 G CA 0.283 45.365 45.100 -0.030 0.000 0.663 494 G HN 0.073 nan 8.290 nan 0.000 0.493 495 K N -0.627 119.674 120.400 -0.164 0.000 1.991 495 K HA 0.000 4.321 4.320 0.001 0.000 0.212 495 K C 0.698 177.019 176.600 -0.465 0.000 1.049 495 K CA 1.587 57.624 56.287 -0.417 0.000 0.932 495 K CB -0.123 31.952 32.500 -0.708 0.000 0.717 495 K HN 0.526 nan 8.250 nan 0.000 0.441 496 Y N -0.450 119.860 120.300 0.016 0.000 2.587 496 Y HA 0.179 4.730 4.550 0.001 0.000 0.337 496 Y C 0.830 176.736 175.900 0.009 0.000 1.065 496 Y CA -1.019 57.090 58.100 0.014 0.000 1.126 496 Y CB 1.154 39.624 38.460 0.017 0.000 1.279 496 Y HN -0.063 nan 8.280 nan 0.000 0.489 497 D N -0.251 120.252 120.400 0.172 0.000 2.455 497 D HA 0.163 4.803 4.640 0.001 0.000 0.228 497 D C 0.065 176.407 176.300 0.071 0.000 1.070 497 D CA 0.738 54.794 54.000 0.093 0.000 0.881 497 D CB 0.930 41.768 40.800 0.063 0.000 1.087 497 D HN 0.215 nan 8.370 nan 0.000 0.498 498 V N 0.766 120.721 119.914 0.068 0.000 3.204 498 V HA 0.637 4.758 4.120 0.001 0.000 0.316 498 V C -0.546 175.527 176.094 -0.034 0.000 1.160 498 V CA -0.968 61.342 62.300 0.015 0.000 1.044 498 V CB 2.862 34.691 31.823 0.009 0.000 1.136 498 V HN 0.044 nan 8.190 nan 0.000 0.455 499 L N 0.814 121.984 121.223 -0.088 0.000 2.905 499 L HA 0.561 4.901 4.340 0.001 0.000 0.260 499 L C -1.657 175.076 176.870 -0.227 0.000 0.933 499 L CA -0.259 54.469 54.840 -0.186 0.000 1.034 499 L CB 1.556 43.510 42.059 -0.175 0.000 1.550 499 L HN 0.431 nan 8.230 nan 0.000 0.480 500 V N 3.286 123.017 119.914 -0.304 0.000 2.612 500 V HA 1.016 5.137 4.120 0.001 0.000 0.301 500 V C 0.673 176.465 176.094 -0.504 0.000 1.046 500 V CA 0.244 62.373 62.300 -0.285 0.000 0.946 500 V CB 1.307 33.027 31.823 -0.172 0.000 1.003 500 V HN 0.921 nan 8.190 nan 0.000 0.459 501 G N 1.820 110.438 108.800 -0.302 0.000 2.646 501 G HA2 0.581 4.541 3.960 0.001 0.000 0.291 501 G HA3 0.581 4.541 3.960 0.001 0.000 0.291 501 G C -0.491 174.381 174.900 -0.048 0.000 1.445 501 G CA -0.513 44.444 45.100 -0.237 0.000 0.814 501 G HN 0.429 nan 8.290 nan 0.000 0.495 502 I N -0.088 120.508 120.570 0.043 0.000 2.512 502 I HA 0.202 4.372 4.170 0.001 0.000 0.247 502 I C 0.882 177.020 176.117 0.035 0.000 1.094 502 I CA 0.224 61.550 61.300 0.043 0.000 1.427 502 I CB 0.087 38.130 38.000 0.073 0.000 1.149 502 I HN 0.352 nan 8.210 nan 0.000 0.438 503 N N 1.293 120.029 118.700 0.060 0.000 2.457 503 N HA 0.286 5.027 4.740 0.001 0.000 0.250 503 N C 0.133 175.667 175.510 0.040 0.000 0.982 503 N CA 0.070 53.150 53.050 0.051 0.000 0.941 503 N CB 1.246 39.777 38.487 0.074 0.000 1.120 503 N HN 0.128 nan 8.380 nan 0.000 0.505 504 L N 3.237 124.467 121.223 0.012 0.000 2.585 504 L HA 0.221 4.562 4.340 0.001 0.000 0.226 504 L C 1.493 178.372 176.870 0.015 0.000 1.113 504 L CA 0.194 55.037 54.840 0.005 0.000 0.876 504 L CB 0.222 42.270 42.059 -0.019 0.000 1.072 504 L HN 0.453 nan 8.230 nan 0.000 0.468 505 L N -0.202 121.033 121.223 0.020 0.000 2.610 505 L HA 0.022 4.362 4.340 0.001 0.000 0.232 505 L C 0.809 177.713 176.870 0.056 0.000 1.149 505 L CA 0.177 55.037 54.840 0.034 0.000 0.872 505 L CB -0.444 41.632 42.059 0.029 0.000 0.992 505 L HN 0.148 nan 8.230 nan 0.000 0.447 506 R N 2.515 123.048 120.500 0.055 0.000 2.351 506 R HA 0.039 4.380 4.340 0.001 0.000 0.321 506 R C 0.255 176.586 176.300 0.052 0.000 1.182 506 R CA -0.236 55.900 56.100 0.059 0.000 1.011 506 R CB 0.078 30.413 30.300 0.059 0.000 1.048 506 R HN 0.244 nan 8.270 nan 0.000 0.490 507 E N 1.496 121.730 120.200 0.056 0.000 2.785 507 E HA -0.238 4.113 4.350 0.001 0.000 0.285 507 E C 0.853 177.476 176.600 0.038 0.000 1.006 507 E CA 1.103 57.532 56.400 0.048 0.000 0.996 507 E CB 0.147 29.875 29.700 0.048 0.000 1.025 507 E HN 0.835 nan 8.360 nan 0.000 0.467 508 G N 1.748 110.569 108.800 0.035 0.000 2.284 508 G HA2 -0.281 3.679 3.960 0.001 0.000 0.216 508 G HA3 -0.281 3.679 3.960 0.001 0.000 0.216 508 G C 0.551 175.469 174.900 0.030 0.000 1.009 508 G CA 0.056 45.175 45.100 0.031 0.000 0.625 508 G HN 0.432 nan 8.290 nan 0.000 0.501 509 L N 1.792 123.033 121.223 0.030 0.000 2.919 509 L HA 0.316 4.657 4.340 0.001 0.000 0.242 509 L C -0.129 176.752 176.870 0.018 0.000 1.366 509 L CA -0.057 54.797 54.840 0.023 0.000 1.212 509 L CB 0.122 42.193 42.059 0.020 0.000 1.604 509 L HN 0.029 nan 8.230 nan 0.000 0.433 510 D N 1.420 121.831 120.400 0.019 0.000 2.930 510 D HA 0.315 4.955 4.640 0.001 0.000 0.304 510 D C -0.112 176.196 176.300 0.013 0.000 1.298 510 D CA -0.227 53.782 54.000 0.015 0.000 0.949 510 D CB 0.458 41.268 40.800 0.018 0.000 1.013 510 D HN 0.104 nan 8.370 nan 0.000 0.510 511 I N 1.217 121.794 120.570 0.012 0.000 2.353 511 I HA 0.264 4.434 4.170 0.001 0.000 0.293 511 I C -1.396 174.727 176.117 0.009 0.000 0.992 511 I CA -1.829 59.479 61.300 0.014 0.000 1.268 511 I CB 1.491 39.502 38.000 0.019 0.000 1.387 511 I HN -0.093 nan 8.210 nan 0.000 0.478 512 P HA 0.022 nan 4.420 nan 0.000 0.226 512 P C 0.809 178.113 177.300 0.008 0.000 1.161 512 P CA 0.696 63.800 63.100 0.006 0.000 0.804 512 P CB 0.275 31.977 31.700 0.003 0.000 0.829 513 E N -0.670 119.537 120.200 0.012 0.000 2.516 513 E HA 0.012 4.363 4.350 0.001 0.000 0.199 513 E C 0.219 176.828 176.600 0.015 0.000 1.069 513 E CA 0.236 56.645 56.400 0.014 0.000 0.876 513 E CB -0.480 29.231 29.700 0.018 0.000 0.843 513 E HN 0.050 nan 8.360 nan 0.000 0.530 514 V N 1.010 120.932 119.914 0.013 0.000 2.383 514 V HA 0.104 4.224 4.120 0.001 0.000 0.275 514 V C 0.966 177.066 176.094 0.011 0.000 1.036 514 V CA 0.387 62.695 62.300 0.012 0.000 0.889 514 V CB 1.559 33.387 31.823 0.008 0.000 0.985 514 V HN 0.230 nan 8.190 nan 0.000 0.459 515 S N 5.858 121.568 115.700 0.016 0.000 2.506 515 S HA 0.261 4.731 4.470 0.001 0.000 0.219 515 S C -0.030 174.590 174.600 0.034 0.000 1.031 515 S CA 0.027 58.241 58.200 0.022 0.000 0.911 515 S CB 0.332 63.545 63.200 0.022 0.000 0.812 515 S HN 0.474 nan 8.310 nan 0.000 0.497 516 L N 1.756 122.995 121.223 0.026 0.000 2.381 516 L HA 0.812 5.152 4.340 0.001 0.000 0.268 516 L C -1.652 175.214 176.870 -0.007 0.000 0.997 516 L CA -0.708 54.147 54.840 0.024 0.000 0.818 516 L CB 2.269 44.352 42.059 0.038 0.000 1.310 516 L HN 0.015 nan 8.230 nan 0.000 0.416 517 V N 4.103 123.994 119.914 -0.039 0.000 2.525 517 V HA 0.844 4.964 4.120 0.001 0.000 0.299 517 V C -0.176 175.872 176.094 -0.075 0.000 1.034 517 V CA -0.338 61.931 62.300 -0.052 0.000 0.863 517 V CB 1.506 33.294 31.823 -0.059 0.000 0.999 517 V HN 1.020 nan 8.190 nan 0.000 0.423 518 A N 6.057 128.852 122.820 -0.042 0.000 2.305 518 A HA 0.892 5.212 4.320 0.001 0.000 0.322 518 A C -0.618 176.956 177.584 -0.016 0.000 1.187 518 A CA -0.429 51.594 52.037 -0.024 0.000 0.825 518 A CB 0.597 19.637 19.000 0.068 0.000 1.164 518 A HN 0.792 nan 8.150 nan 0.000 0.498 519 I N 3.731 124.284 120.570 -0.028 0.000 2.464 519 I HA 0.151 4.321 4.170 0.001 0.000 0.277 519 I C 0.431 176.582 176.117 0.057 0.000 1.040 519 I CA -0.098 61.194 61.300 -0.013 0.000 1.153 519 I CB 1.439 39.404 38.000 -0.057 0.000 1.274 519 I HN 0.712 nan 8.210 nan 0.000 0.469 520 L N 4.255 125.530 121.223 0.086 0.000 2.376 520 L HA 0.008 4.348 4.340 0.001 0.000 0.219 520 L C 0.505 177.422 176.870 0.078 0.000 1.133 520 L CA 1.314 56.227 54.840 0.121 0.000 0.816 520 L CB 0.027 42.123 42.059 0.063 0.000 0.933 520 L HN 0.563 nan 8.230 nan 0.000 0.449 521 D N -1.085 119.340 120.400 0.042 0.000 2.945 521 D HA 0.227 4.867 4.640 0.001 0.000 0.366 521 D C 1.264 177.572 176.300 0.014 0.000 1.352 521 D CA 0.290 54.307 54.000 0.029 0.000 0.810 521 D CB 1.071 41.883 40.800 0.019 0.000 1.170 521 D HN 0.062 nan 8.370 nan 0.000 0.461 522 A N 1.311 124.137 122.820 0.011 0.000 1.940 522 A HA -0.248 4.072 4.320 0.001 0.000 0.221 522 A C 1.683 179.260 177.584 -0.012 0.000 1.190 522 A CA 1.966 53.995 52.037 -0.012 0.000 0.647 522 A CB -0.148 18.838 19.000 -0.025 0.000 0.821 522 A HN 0.302 nan 8.150 nan 0.000 0.457 523 D N -1.291 119.108 120.400 -0.002 0.000 2.340 523 D HA 0.061 4.702 4.640 0.001 0.000 0.220 523 D C 0.513 176.813 176.300 0.000 0.000 1.039 523 D CA 0.174 54.172 54.000 -0.003 0.000 0.866 523 D CB -0.056 40.745 40.800 0.001 0.000 0.913 523 D HN 0.094 nan 8.370 nan 0.000 0.523 524 K N 1.088 121.490 120.400 0.003 0.000 2.273 524 K HA 0.215 4.536 4.320 0.001 0.000 0.240 524 K C 0.883 177.486 176.600 0.006 0.000 1.056 524 K CA -0.273 56.017 56.287 0.006 0.000 0.910 524 K CB 0.283 32.788 32.500 0.009 0.000 1.196 524 K HN 0.230 nan 8.250 nan 0.000 0.509 525 E N 0.138 120.344 120.200 0.012 0.000 2.191 525 E HA 0.659 5.009 4.350 0.001 0.000 0.278 525 E C 0.117 176.733 176.600 0.027 0.000 0.972 525 E CA -0.976 55.435 56.400 0.017 0.000 0.804 525 E CB 1.415 31.127 29.700 0.018 0.000 1.110 525 E HN 0.596 nan 8.360 nan 0.000 0.394 526 G N 1.166 109.989 108.800 0.039 0.000 2.325 526 G HA2 0.100 4.060 3.960 0.001 0.000 0.297 526 G HA3 0.100 4.060 3.960 0.001 0.000 0.297 526 G C -0.813 174.145 174.900 0.097 0.000 1.448 526 G CA -0.731 44.409 45.100 0.067 0.000 0.838 526 G HN 0.400 nan 8.290 nan 0.000 0.579 527 F N 0.349 120.295 119.950 -0.007 0.000 2.293 527 F HA 0.330 4.858 4.527 0.001 0.000 0.297 527 F C 1.860 177.657 175.800 -0.005 0.000 1.089 527 F CA 0.859 58.853 58.000 -0.009 0.000 1.377 527 F CB 0.094 39.085 39.000 -0.015 0.000 1.051 527 F HN 0.210 nan 8.300 nan 0.000 0.511 528 L N 0.645 121.766 121.223 -0.170 0.000 2.660 528 L HA 0.078 4.418 4.340 0.001 0.000 0.238 528 L C 0.493 177.265 176.870 -0.163 0.000 1.161 528 L CA 0.444 55.138 54.840 -0.244 0.000 0.937 528 L CB -0.431 41.584 42.059 -0.074 0.000 1.122 528 L HN 0.041 nan 8.230 nan 0.000 0.435 529 R N -0.629 119.789 120.500 -0.137 0.000 2.637 529 R HA 0.133 4.473 4.340 0.001 0.000 0.446 529 R C -0.084 176.165 176.300 -0.084 0.000 1.024 529 R CA -0.171 55.876 56.100 -0.089 0.000 1.080 529 R CB 0.404 30.679 30.300 -0.042 0.000 1.421 529 R HN 0.135 nan 8.270 nan 0.000 0.593 530 S N -1.951 113.673 115.700 -0.127 0.000 2.690 530 S HA 0.240 4.711 4.470 0.001 0.000 0.291 530 S C 1.189 175.739 174.600 -0.083 0.000 1.138 530 S CA -0.697 57.451 58.200 -0.087 0.000 1.013 530 S CB 2.091 65.245 63.200 -0.078 0.000 1.053 530 S HN 0.316 nan 8.310 nan 0.000 0.539 531 E N 1.322 121.492 120.200 -0.050 0.000 2.086 531 E HA -0.323 4.027 4.350 0.001 0.000 0.205 531 E C 1.926 178.493 176.600 -0.056 0.000 1.027 531 E CA 1.645 58.018 56.400 -0.045 0.000 0.830 531 E CB -0.159 29.525 29.700 -0.028 0.000 0.751 531 E HN 0.708 nan 8.360 nan 0.000 0.456 532 R N -0.155 120.316 120.500 -0.049 0.000 2.062 532 R HA -0.007 4.333 4.340 0.001 0.000 0.229 532 R C 2.737 178.988 176.300 -0.082 0.000 1.128 532 R CA 1.528 57.600 56.100 -0.046 0.000 0.960 532 R CB -0.062 30.255 30.300 0.027 0.000 0.855 532 R HN 0.123 nan 8.270 nan 0.000 0.432 533 S N 0.994 116.598 115.700 -0.159 0.000 2.382 533 S HA -0.088 4.383 4.470 0.001 0.000 0.228 533 S C 1.907 176.416 174.600 -0.152 0.000 1.027 533 S CA 0.951 59.011 58.200 -0.232 0.000 0.991 533 S CB -0.172 62.745 63.200 -0.471 0.000 0.823 533 S HN 0.172 nan 8.310 nan 0.000 0.469 534 L N 0.875 122.024 121.223 -0.124 0.000 1.988 534 L HA -0.072 4.269 4.340 0.001 0.000 0.207 534 L C 2.277 179.100 176.870 -0.079 0.000 1.071 534 L CA 1.137 55.920 54.840 -0.095 0.000 0.744 534 L CB -0.617 41.392 42.059 -0.083 0.000 0.893 534 L HN 0.226 nan 8.230 nan 0.000 0.433 535 I N -0.464 120.062 120.570 -0.073 0.000 2.113 535 I HA -0.418 3.753 4.170 0.001 0.000 0.242 535 I C 2.840 178.921 176.117 -0.059 0.000 1.057 535 I CA 1.547 62.808 61.300 -0.065 0.000 1.314 535 I CB -0.364 37.596 38.000 -0.067 0.000 1.022 535 I HN 0.387 nan 8.210 nan 0.000 0.408 536 Q N -0.168 119.598 119.800 -0.057 0.000 2.096 536 Q HA -0.201 4.139 4.340 0.001 0.000 0.204 536 Q C 2.266 178.245 176.000 -0.036 0.000 0.982 536 Q CA 2.334 58.114 55.803 -0.037 0.000 0.850 536 Q CB -0.588 28.140 28.738 -0.016 0.000 0.901 536 Q HN 0.580 nan 8.270 nan 0.000 0.422 537 T N 1.359 115.882 114.554 -0.052 0.000 2.915 537 T HA -0.058 4.292 4.350 0.001 0.000 0.269 537 T C 1.972 176.642 174.700 -0.049 0.000 1.071 537 T CA 0.683 62.754 62.100 -0.050 0.000 1.132 537 T CB -0.105 68.725 68.868 -0.063 0.000 0.878 537 T HN 0.183 nan 8.240 nan 0.000 0.479 538 I N 1.469 122.006 120.570 -0.055 0.000 2.202 538 I HA -0.059 4.111 4.170 0.001 0.000 0.242 538 I C 2.935 179.027 176.117 -0.042 0.000 1.091 538 I CA 1.168 62.435 61.300 -0.056 0.000 1.368 538 I CB -0.732 37.233 38.000 -0.060 0.000 1.058 538 I HN 0.313 nan 8.210 nan 0.000 0.410 539 G N 0.907 109.685 108.800 -0.036 0.000 2.568 539 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 539 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 539 G C 1.530 176.418 174.900 -0.020 0.000 1.104 539 G CA 0.411 45.495 45.100 -0.027 0.000 0.738 539 G HN 0.203 nan 8.290 nan 0.000 0.574 540 R N 0.393 120.881 120.500 -0.021 0.000 2.316 540 R HA 0.182 4.523 4.340 0.001 0.000 0.202 540 R C 1.770 178.061 176.300 -0.015 0.000 1.029 540 R CA 0.603 56.694 56.100 -0.015 0.000 1.018 540 R CB -0.444 29.846 30.300 -0.017 0.000 0.888 540 R HN 0.336 nan 8.270 nan 0.000 0.471 541 A N -0.110 122.699 122.820 -0.019 0.000 2.574 541 A HA 0.516 4.836 4.320 0.001 0.000 0.283 541 A C 0.990 178.569 177.584 -0.008 0.000 1.270 541 A CA 0.197 52.225 52.037 -0.013 0.000 0.945 541 A CB 0.380 19.367 19.000 -0.021 0.000 1.127 541 A HN 0.116 nan 8.150 nan 0.000 0.522 542 A N -0.666 122.148 122.820 -0.011 0.000 2.594 542 A HA 0.365 4.685 4.320 0.001 0.000 0.287 542 A C 1.192 178.769 177.584 -0.012 0.000 1.227 542 A CA -0.222 51.807 52.037 -0.012 0.000 0.952 542 A CB 0.011 19.000 19.000 -0.019 0.000 1.161 542 A HN 0.120 nan 8.150 nan 0.000 0.524 543 R N 0.645 121.140 120.500 -0.008 0.000 2.359 543 R HA 0.254 4.595 4.340 0.001 0.000 0.231 543 R C -0.283 176.013 176.300 -0.005 0.000 0.913 543 R CA 0.132 56.227 56.100 -0.008 0.000 1.075 543 R CB -0.388 29.910 30.300 -0.004 0.000 1.087 543 R HN 0.597 nan 8.270 nan 0.000 0.515 544 N N -1.618 117.080 118.700 -0.003 0.000 2.455 544 N HA 0.262 5.002 4.740 0.001 0.000 0.278 544 N C -0.333 175.177 175.510 -0.000 0.000 1.291 544 N CA -0.049 53.001 53.050 -0.000 0.000 0.780 544 N CB 2.179 40.669 38.487 0.005 0.000 1.520 544 N HN -0.088 nan 8.380 nan 0.000 0.486 545 A N 0.761 123.581 122.820 -0.000 0.000 2.132 545 A HA 0.095 4.415 4.320 0.001 0.000 0.213 545 A C 0.323 177.906 177.584 -0.001 0.000 1.154 545 A CA 0.658 52.694 52.037 -0.001 0.000 0.753 545 A CB -0.081 18.918 19.000 -0.003 0.000 0.826 545 A HN 0.660 nan 8.150 nan 0.000 0.469 546 N N 0.718 119.420 118.700 0.003 0.000 2.541 546 N HA 0.157 4.898 4.740 0.001 0.000 0.297 546 N C 0.242 175.767 175.510 0.024 0.000 1.503 546 N CA 0.163 53.214 53.050 0.002 0.000 0.919 546 N CB 0.765 39.248 38.487 -0.007 0.000 1.305 546 N HN 0.265 nan 8.380 nan 0.000 0.501 547 G N 0.365 109.184 108.800 0.031 0.000 2.343 547 G HA2 0.113 4.073 3.960 0.001 0.000 0.254 547 G HA3 0.113 4.073 3.960 0.001 0.000 0.254 547 G C -0.571 174.397 174.900 0.114 0.000 1.277 547 G CA 0.521 45.651 45.100 0.049 0.000 0.909 547 G HN 0.342 nan 8.290 nan 0.000 0.502 548 H N 0.702 119.754 119.070 -0.030 0.000 2.768 548 H HA 0.645 5.202 4.556 0.001 0.000 0.371 548 H C -1.172 174.126 175.328 -0.050 0.000 1.151 548 H CA -0.679 55.345 56.048 -0.039 0.000 1.165 548 H CB 2.337 32.077 29.762 -0.037 0.000 1.722 548 H HN 0.336 nan 8.280 nan 0.000 0.543 549 V N 5.768 125.360 119.914 -0.537 0.000 2.577 549 V HA 0.354 4.474 4.120 0.001 0.000 0.303 549 V C -0.349 175.397 176.094 -0.580 0.000 1.042 549 V CA -0.607 61.444 62.300 -0.416 0.000 0.872 549 V CB 1.540 33.218 31.823 -0.243 0.000 0.998 549 V HN 0.619 nan 8.190 nan 0.000 0.423 550 I N 5.482 125.784 120.570 -0.446 0.000 2.354 550 I HA 0.484 4.654 4.170 0.001 0.000 0.292 550 I C -0.216 175.607 176.117 -0.489 0.000 0.989 550 I CA -0.317 60.684 61.300 -0.499 0.000 1.188 550 I CB 1.625 39.295 38.000 -0.550 0.000 1.342 550 I HN 0.430 nan 8.210 nan 0.000 0.457 551 M N 6.380 125.718 119.600 -0.437 0.000 2.066 551 M HA 0.384 4.865 4.480 0.001 0.000 0.340 551 M C -1.285 174.817 176.300 -0.330 0.000 1.053 551 M CA -0.458 54.661 55.300 -0.301 0.000 0.983 551 M CB 1.042 33.537 32.600 -0.175 0.000 1.520 551 M HN 0.376 nan 8.290 nan 0.000 0.428 552 Y N 2.682 122.953 120.300 -0.048 0.000 2.404 552 Y HA 0.640 5.191 4.550 0.001 0.000 0.344 552 Y C 0.378 176.259 175.900 -0.031 0.000 0.995 552 Y CA -0.374 57.703 58.100 -0.037 0.000 1.201 552 Y CB 0.766 39.204 38.460 -0.037 0.000 1.151 552 Y HN 0.749 nan 8.280 nan 0.000 0.517 553 A N 2.041 124.930 122.820 0.116 0.000 2.557 553 A HA 0.509 4.830 4.320 0.001 0.000 0.292 553 A C -0.564 177.046 177.584 0.043 0.000 1.139 553 A CA -0.726 51.346 52.037 0.058 0.000 0.665 553 A CB 1.289 20.301 19.000 0.019 0.000 1.285 553 A HN 0.564 nan 8.150 nan 0.000 0.433 554 D N -0.387 120.028 120.400 0.025 0.000 2.473 554 D HA 0.206 4.847 4.640 0.001 0.000 0.230 554 D C 0.397 176.702 176.300 0.009 0.000 1.097 554 D CA 1.746 55.757 54.000 0.017 0.000 0.861 554 D CB 0.989 41.797 40.800 0.014 0.000 1.114 554 D HN 0.831 nan 8.370 nan 0.000 0.500 555 T N -1.906 112.651 114.554 0.006 0.000 2.816 555 T HA 0.521 4.871 4.350 0.001 0.000 0.299 555 T C -0.924 173.774 174.700 -0.005 0.000 1.230 555 T CA -0.758 61.343 62.100 0.000 0.000 1.007 555 T CB 2.014 70.883 68.868 0.000 0.000 1.289 555 T HN -0.232 nan 8.240 nan 0.000 0.508 556 I N 3.189 123.755 120.570 -0.008 0.000 2.460 556 I HA 0.274 4.445 4.170 0.001 0.000 0.277 556 I C 1.329 177.438 176.117 -0.013 0.000 1.057 556 I CA -0.403 60.889 61.300 -0.013 0.000 1.179 556 I CB 0.067 38.058 38.000 -0.015 0.000 1.329 556 I HN 1.063 nan 8.210 nan 0.000 0.478 557 T N 1.522 116.067 114.554 -0.014 0.000 2.855 557 T HA 0.023 4.373 4.350 0.001 0.000 0.322 557 T C 1.245 175.935 174.700 -0.016 0.000 1.088 557 T CA -0.114 61.978 62.100 -0.013 0.000 1.104 557 T CB 1.458 70.318 68.868 -0.013 0.000 0.996 557 T HN 0.585 nan 8.240 nan 0.000 0.549 558 K N 0.653 121.045 120.400 -0.013 0.000 2.147 558 K HA -0.095 4.226 4.320 0.001 0.000 0.205 558 K C 2.462 179.051 176.600 -0.018 0.000 1.049 558 K CA 1.383 57.662 56.287 -0.014 0.000 0.936 558 K CB -0.310 32.183 32.500 -0.011 0.000 0.722 558 K HN 0.690 nan 8.250 nan 0.000 0.446 559 S N 0.788 116.476 115.700 -0.019 0.000 2.345 559 S HA -0.157 4.313 4.470 0.001 0.000 0.220 559 S C 1.908 176.489 174.600 -0.032 0.000 1.031 559 S CA 1.373 59.558 58.200 -0.025 0.000 0.996 559 S CB -0.274 62.910 63.200 -0.027 0.000 0.882 559 S HN 0.243 nan 8.310 nan 0.000 0.445 560 M N 1.460 121.040 119.600 -0.033 0.000 2.073 560 M HA -0.180 4.301 4.480 0.001 0.000 0.258 560 M C 2.478 178.756 176.300 -0.037 0.000 1.070 560 M CA 1.502 56.779 55.300 -0.038 0.000 1.103 560 M CB -0.481 32.098 32.600 -0.036 0.000 1.321 560 M HN 0.260 nan 8.290 nan 0.000 0.405 561 E N 0.449 120.631 120.200 -0.029 0.000 2.055 561 E HA -0.255 4.095 4.350 0.001 0.000 0.209 561 E C 1.871 178.454 176.600 -0.028 0.000 1.036 561 E CA 2.027 58.411 56.400 -0.027 0.000 0.849 561 E CB -0.485 29.202 29.700 -0.021 0.000 0.767 561 E HN 0.410 nan 8.360 nan 0.000 0.461 562 I N 1.165 121.718 120.570 -0.027 0.000 2.113 562 I HA -0.357 3.814 4.170 0.001 0.000 0.242 562 I C 2.451 178.547 176.117 -0.034 0.000 1.064 562 I CA 1.803 63.086 61.300 -0.028 0.000 1.320 562 I CB -0.650 37.333 38.000 -0.027 0.000 1.028 562 I HN 0.117 nan 8.210 nan 0.000 0.406 563 A N 0.523 123.320 122.820 -0.039 0.000 1.842 563 A HA -0.244 4.077 4.320 0.001 0.000 0.217 563 A C 2.346 179.904 177.584 -0.043 0.000 1.206 563 A CA 2.305 54.314 52.037 -0.046 0.000 0.630 563 A CB -1.225 17.743 19.000 -0.053 0.000 0.839 563 A HN 0.409 nan 8.150 nan 0.000 0.447 564 I N -0.943 119.601 120.570 -0.044 0.000 2.145 564 I HA -0.367 3.803 4.170 0.001 0.000 0.244 564 I C 2.822 178.919 176.117 -0.032 0.000 1.075 564 I CA 1.994 63.270 61.300 -0.041 0.000 1.332 564 I CB -0.482 37.493 38.000 -0.041 0.000 1.033 564 I HN 0.353 nan 8.210 nan 0.000 0.410 565 Q N 0.732 120.514 119.800 -0.029 0.000 2.045 565 Q HA -0.288 4.052 4.340 0.001 0.000 0.206 565 Q C 1.996 177.982 176.000 -0.024 0.000 0.991 565 Q CA 2.257 58.046 55.803 -0.024 0.000 0.851 565 Q CB -0.296 28.429 28.738 -0.022 0.000 0.911 565 Q HN 0.491 nan 8.270 nan 0.000 0.418 566 E N -1.091 119.093 120.200 -0.028 0.000 2.031 566 E HA -0.147 4.204 4.350 0.001 0.000 0.193 566 E C 1.770 178.353 176.600 -0.029 0.000 0.994 566 E CA 2.238 58.621 56.400 -0.029 0.000 0.800 566 E CB -0.459 29.220 29.700 -0.034 0.000 0.752 566 E HN 0.467 nan 8.360 nan 0.000 0.447 567 T N 0.799 115.333 114.554 -0.033 0.000 2.653 567 T HA -0.270 4.081 4.350 0.001 0.000 0.268 567 T C 1.775 176.461 174.700 -0.023 0.000 1.035 567 T CA 1.701 63.782 62.100 -0.031 0.000 1.154 567 T CB -0.389 68.458 68.868 -0.036 0.000 0.862 567 T HN 0.157 nan 8.240 nan 0.000 0.441 568 K N 0.953 121.341 120.400 -0.020 0.000 1.980 568 K HA -0.220 4.100 4.320 0.001 0.000 0.223 568 K C 2.615 179.208 176.600 -0.012 0.000 1.052 568 K CA 1.847 58.126 56.287 -0.013 0.000 0.974 568 K CB -0.296 32.197 32.500 -0.013 0.000 0.734 568 K HN 0.234 nan 8.250 nan 0.000 0.447 569 R N 0.904 121.397 120.500 -0.013 0.000 2.134 569 R HA -0.242 4.098 4.340 0.001 0.000 0.248 569 R C 2.275 178.567 176.300 -0.013 0.000 1.143 569 R CA 2.078 58.171 56.100 -0.011 0.000 0.957 569 R CB -0.249 30.042 30.300 -0.014 0.000 0.867 569 R HN 0.216 nan 8.270 nan 0.000 0.441 570 R N -0.192 120.296 120.500 -0.019 0.000 2.083 570 R HA -0.188 4.153 4.340 0.001 0.000 0.237 570 R C 2.612 178.900 176.300 -0.022 0.000 1.137 570 R CA 2.141 58.225 56.100 -0.026 0.000 0.951 570 R CB -0.315 29.966 30.300 -0.032 0.000 0.851 570 R HN 0.278 nan 8.270 nan 0.000 0.434 571 R N 0.254 120.745 120.500 -0.015 0.000 2.081 571 R HA -0.107 4.233 4.340 0.001 0.000 0.235 571 R C 2.152 178.453 176.300 0.002 0.000 1.131 571 R CA 1.509 57.605 56.100 -0.008 0.000 0.960 571 R CB -0.289 30.009 30.300 -0.003 0.000 0.856 571 R HN 0.233 nan 8.270 nan 0.000 0.436 572 A N 1.292 124.114 122.820 0.003 0.000 1.859 572 A HA -0.200 4.121 4.320 0.001 0.000 0.217 572 A C 2.174 179.771 177.584 0.021 0.000 1.198 572 A CA 1.973 54.017 52.037 0.011 0.000 0.629 572 A CB -0.766 18.239 19.000 0.008 0.000 0.830 572 A HN 0.418 nan 8.150 nan 0.000 0.446 573 I N -0.260 120.319 120.570 0.015 0.000 2.454 573 I HA -0.313 3.858 4.170 0.001 0.000 0.254 573 I C 2.582 178.723 176.117 0.040 0.000 1.156 573 I CA 1.495 62.812 61.300 0.027 0.000 1.433 573 I CB -0.644 37.360 38.000 0.006 0.000 1.082 573 I HN 0.479 nan 8.210 nan 0.000 0.432 574 Q N 0.776 120.583 119.800 0.012 0.000 2.167 574 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 574 Q C 1.951 178.004 176.000 0.089 0.000 0.970 574 Q CA 1.202 57.010 55.803 0.009 0.000 0.855 574 Q CB -0.148 28.573 28.738 -0.029 0.000 0.911 574 Q HN 0.565 nan 8.270 nan 0.000 0.438 575 E N 1.085 121.325 120.200 0.068 0.000 2.051 575 E HA -0.179 4.171 4.350 0.001 0.000 0.189 575 E C 2.060 178.711 176.600 0.084 0.000 0.979 575 E CA 0.807 57.248 56.400 0.068 0.000 0.803 575 E CB 0.091 29.814 29.700 0.038 0.000 0.761 575 E HN 0.337 nan 8.360 nan 0.000 0.451 576 E N 0.402 120.651 120.200 0.082 0.000 2.209 576 E HA -0.260 4.091 4.350 0.001 0.000 0.196 576 E C 1.760 178.433 176.600 0.122 0.000 0.993 576 E CA 1.047 57.495 56.400 0.081 0.000 0.819 576 E CB -0.217 29.524 29.700 0.070 0.000 0.745 576 E HN 0.427 nan 8.360 nan 0.000 0.477 577 Y N 1.704 122.020 120.300 0.027 0.000 2.243 577 Y HA -0.007 4.543 4.550 0.001 0.000 0.293 577 Y C 1.952 177.885 175.900 0.055 0.000 1.124 577 Y CA 1.649 59.767 58.100 0.030 0.000 1.159 577 Y CB -0.152 38.271 38.460 -0.061 0.000 1.008 577 Y HN 0.004 nan 8.280 nan 0.000 0.527 578 N N 0.574 119.371 118.700 0.161 0.000 2.520 578 N HA -0.144 4.596 4.740 0.001 0.000 0.185 578 N C 1.703 177.221 175.510 0.013 0.000 1.068 578 N CA 0.679 53.773 53.050 0.073 0.000 0.911 578 N CB -0.135 38.414 38.487 0.103 0.000 0.961 578 N HN 0.461 nan 8.380 nan 0.000 0.446 579 R N 1.577 122.085 120.500 0.013 0.000 2.054 579 R HA 0.001 4.341 4.340 0.001 0.000 0.223 579 R C 2.101 178.380 176.300 -0.034 0.000 1.176 579 R CA 0.928 57.026 56.100 -0.003 0.000 0.934 579 R CB -0.120 30.185 30.300 0.008 0.000 0.828 579 R HN -0.054 nan 8.270 nan 0.000 0.441 580 K N -0.482 119.895 120.400 -0.040 0.000 2.293 580 K HA -0.218 4.103 4.320 0.001 0.000 0.204 580 K C 0.803 177.214 176.600 -0.315 0.000 1.045 580 K CA 1.873 58.077 56.287 -0.138 0.000 0.933 580 K CB -0.005 32.425 32.500 -0.118 0.000 0.736 580 K HN 0.396 nan 8.250 nan 0.000 0.463 581 H N -2.123 116.783 119.070 -0.273 0.000 2.827 581 H HA 0.231 4.788 4.556 0.001 0.000 0.269 581 H C 0.613 175.857 175.328 -0.139 0.000 1.031 581 H CA 0.474 56.374 56.048 -0.246 0.000 1.202 581 H CB 1.320 30.829 29.762 -0.421 0.000 1.511 581 H HN 0.347 nan 8.280 nan 0.000 0.517 582 G N 1.245 110.037 108.800 -0.012 0.000 2.272 582 G HA2 -0.271 3.689 3.960 0.001 0.000 0.280 582 G HA3 -0.271 3.689 3.960 0.001 0.000 0.280 582 G C -0.441 174.467 174.900 0.013 0.000 1.067 582 G CA 0.347 45.443 45.100 -0.006 0.000 0.902 582 G HN 0.266 nan 8.290 nan 0.000 0.500 583 I N -0.855 119.731 120.570 0.025 0.000 2.441 583 I HA 0.583 4.753 4.170 0.001 0.000 0.295 583 I C 0.338 176.472 176.117 0.029 0.000 0.994 583 I CA -1.313 60.007 61.300 0.034 0.000 1.144 583 I CB 2.191 40.227 38.000 0.059 0.000 1.314 583 I HN -0.071 nan 8.210 nan 0.000 0.445 584 V N 6.354 126.280 119.914 0.021 0.000 2.334 584 V HA 0.372 4.493 4.120 0.001 0.000 0.281 584 V C -2.174 173.929 176.094 0.014 0.000 1.016 584 V CA -1.674 60.634 62.300 0.015 0.000 0.832 584 V CB 0.912 32.739 31.823 0.008 0.000 0.999 584 V HN 0.610 nan 8.190 nan 0.000 0.439 585 P HA 0.201 nan 4.420 nan 0.000 0.262 585 P C -0.361 176.940 177.300 0.002 0.000 1.199 585 P CA 0.202 63.307 63.100 0.009 0.000 0.763 585 P CB 0.391 32.096 31.700 0.008 0.000 0.790 586 R N 2.067 122.566 120.500 -0.001 0.000 2.621 586 R HA 0.384 4.725 4.340 0.001 0.000 0.292 586 R C -0.544 175.752 176.300 -0.007 0.000 0.969 586 R CA -0.563 55.535 56.100 -0.003 0.000 0.887 586 R CB 1.363 31.661 30.300 -0.003 0.000 1.180 586 R HN 0.303 nan 8.270 nan 0.000 0.450 587 T N 3.254 117.804 114.554 -0.006 0.000 2.902 587 T HA 0.063 4.413 4.350 0.001 0.000 0.301 587 T C 0.372 175.067 174.700 -0.009 0.000 1.012 587 T CA -0.261 61.835 62.100 -0.007 0.000 1.151 587 T CB 0.508 69.374 68.868 -0.003 0.000 0.946 587 T HN 0.284 nan 8.240 nan 0.000 0.542 588 V N 3.192 123.099 119.914 -0.012 0.000 2.999 588 V HA 0.257 4.377 4.120 0.001 0.000 0.307 588 V C 0.409 176.499 176.094 -0.008 0.000 1.084 588 V CA -0.281 62.010 62.300 -0.014 0.000 1.155 588 V CB 0.359 32.171 31.823 -0.018 0.000 0.975 588 V HN 0.670 nan 8.190 nan 0.000 0.490 589 K N 2.371 122.766 120.400 -0.007 0.000 2.328 589 K HA 0.673 4.994 4.320 0.001 0.000 0.246 589 K C -0.940 175.659 176.600 -0.002 0.000 0.955 589 K CA -0.636 55.649 56.287 -0.003 0.000 0.817 589 K CB 1.846 34.345 32.500 -0.002 0.000 1.208 589 K HN 0.766 nan 8.250 nan 0.000 0.432 590 K N 1.323 121.724 120.400 0.002 0.000 2.508 590 K HA 0.214 4.534 4.320 0.001 0.000 0.260 590 K C -1.205 175.398 176.600 0.005 0.000 0.949 590 K CA -0.948 55.341 56.287 0.003 0.000 0.834 590 K CB 1.840 34.343 32.500 0.005 0.000 1.365 590 K HN 0.802 nan 8.250 nan 0.000 0.437 591 E N 1.199 121.402 120.200 0.005 0.000 2.349 591 E HA 0.311 4.661 4.350 0.001 0.000 0.262 591 E C -0.678 175.926 176.600 0.008 0.000 1.088 591 E CA -0.449 55.954 56.400 0.005 0.000 0.899 591 E CB 0.615 30.317 29.700 0.004 0.000 1.044 591 E HN 0.246 nan 8.360 nan 0.000 0.420 592 I N 2.477 123.051 120.570 0.008 0.000 2.442 592 I HA 0.199 4.370 4.170 0.001 0.000 0.279 592 I C 0.675 176.798 176.117 0.009 0.000 1.081 592 I CA -0.483 60.824 61.300 0.010 0.000 1.197 592 I CB 0.164 38.170 38.000 0.011 0.000 1.394 592 I HN 0.504 nan 8.210 nan 0.000 0.488 593 R N 2.952 123.457 120.500 0.010 0.000 2.915 593 R HA 0.374 4.714 4.340 0.001 0.000 0.148 593 R C -0.537 175.769 176.300 0.010 0.000 0.743 593 R CA -0.480 55.626 56.100 0.009 0.000 1.502 593 R CB 0.198 30.503 30.300 0.008 0.000 0.627 593 R HN 0.289 nan 8.270 nan 0.000 0.563 594 D N -0.050 120.356 120.400 0.010 0.000 2.819 594 D HA 0.292 4.933 4.640 0.001 0.000 0.232 594 D C -0.203 176.104 176.300 0.012 0.000 1.160 594 D CA -0.506 53.501 54.000 0.011 0.000 0.858 594 D CB 2.777 43.583 40.800 0.009 0.000 1.610 594 D HN 0.321 nan 8.370 nan 0.000 0.481 595 V N 0.000 119.923 119.914 0.015 0.000 2.409 595 V HA 0.000 4.120 4.120 0.001 0.000 0.244 595 V CA 0.000 62.309 62.300 0.015 0.000 1.235 595 V CB 0.000 31.834 31.823 0.019 0.000 1.184 595 V HN 0.000 nan 8.190 nan 0.000 0.556