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 3hlf_1_A DATA FIRST_RESID -11 DATA SEQUENCE HHSSGLVPRG SHMGSIIDAA AAAGPVVLME TAFRKAVESR QIPGAVIMAR DATA SEQUENCE DASGNLNYTR CFGARTVRRD ENNQLPPLQV DTPCRLAAAT KLLTTIMVLQ DATA SEQUENCE CMERGLVDLD ETVDRLLPDL SAMPVLEGFD DAGNARLRER RGKITLRHLL DATA SEQUENCE THTSGLSYVF LHPLLREYMA QGYLQSAEKF GIQSRLAPPA VNDPGAEWIY DATA SEQUENCE GTNLDWAGKL VERATGLDLE QYLQENICAP LGITDMTFKL QQRPDMLARR DATA SEQUENCE ADQTHRNSAD GRLRYDDSVY FRADGEECFG GQGVFSSPGS YMKVLHSLLK DATA SEQUENCE RDGLLLQPQT VDLMFQPALE PRLEEQMNQH MDASPHINYG GPMPMVLRRS DATA SEQUENCE FGLGGIIALE DLDGENWRRK GSLTFGGGPN IVWQIDPKAG LCTLAFFQLE DATA SEQUENCE PWNDPVCRDL TRTFEHAIYA QYQQG 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 -11 H HA 0.000 nan 4.556 nan 0.000 0.296 -11 H C 0.000 175.301 175.328 -0.045 0.000 0.993 -11 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 -11 H CB 0.000 29.693 29.762 -0.115 0.000 1.292 -10 H N 0.140 119.139 119.070 -0.120 0.000 2.801 -10 H HA 0.380 4.938 4.556 0.003 0.000 0.377 -10 H C -0.361 174.996 175.328 0.049 0.000 1.304 -10 H CA -0.101 55.923 56.048 -0.041 0.000 1.451 -10 H CB 0.410 30.113 29.762 -0.097 0.000 1.474 -10 H HN 0.193 nan 8.280 nan 0.000 0.620 -9 S N 0.272 116.073 115.700 0.168 0.000 2.554 -9 S HA 0.160 4.631 4.470 0.002 0.000 0.278 -9 S C -0.127 174.578 174.600 0.175 0.000 1.242 -9 S CA -0.722 57.542 58.200 0.107 0.000 1.051 -9 S CB 1.164 64.413 63.200 0.081 0.000 0.986 -9 S HN 0.780 nan 8.310 nan 0.000 0.502 -8 S N 2.138 117.898 115.700 0.099 0.000 2.571 -8 S HA 0.362 4.833 4.470 0.002 0.000 0.297 -8 S C 1.368 176.029 174.600 0.102 0.000 1.234 -8 S CA 0.626 58.892 58.200 0.110 0.000 1.120 -8 S CB -0.999 62.235 63.200 0.056 0.000 0.923 -8 S HN 1.399 nan 8.310 nan 0.000 0.504 -7 G N 3.590 112.460 108.800 0.117 0.000 2.157 -7 G HA2 -0.184 3.777 3.960 0.002 0.000 0.248 -7 G HA3 -0.184 3.777 3.960 0.002 0.000 0.248 -7 G C -0.149 174.780 174.900 0.048 0.000 0.979 -7 G CA 0.306 45.446 45.100 0.066 0.000 0.650 -7 G HN 0.747 nan 8.290 nan 0.000 0.529 -6 L N 0.298 121.560 121.223 0.065 0.000 2.354 -6 L HA 0.668 5.010 4.340 0.002 0.000 0.269 -6 L C 0.778 177.648 176.870 -0.000 0.000 1.005 -6 L CA -1.516 53.345 54.840 0.035 0.000 0.819 -6 L CB 2.083 44.170 42.059 0.048 0.000 1.311 -6 L HN -0.111 nan 8.230 nan 0.000 0.423 -5 V N 3.110 123.009 119.914 -0.024 0.000 2.585 -5 V HA 0.071 4.192 4.120 0.002 0.000 0.296 -5 V C -1.695 174.367 176.094 -0.054 0.000 1.035 -5 V CA -0.859 61.404 62.300 -0.060 0.000 1.084 -5 V CB 0.490 32.286 31.823 -0.044 0.000 0.953 -5 V HN 0.625 nan 8.190 nan 0.000 0.483 -4 P HA 0.220 nan 4.420 nan 0.000 0.268 -4 P C -0.131 177.143 177.300 -0.043 0.000 1.485 -4 P CA -0.123 62.942 63.100 -0.058 0.000 1.102 -4 P CB 0.290 31.915 31.700 -0.126 0.000 1.501 -3 R N 1.486 121.971 120.500 -0.024 0.000 2.523 -3 R HA 0.471 4.813 4.340 0.002 0.000 0.229 -3 R C 0.961 177.235 176.300 -0.044 0.000 1.265 -3 R CA -0.642 55.439 56.100 -0.032 0.000 1.081 -3 R CB -0.132 30.154 30.300 -0.022 0.000 1.540 -3 R HN 0.343 nan 8.270 nan 0.000 0.560 -2 G N 0.230 108.992 108.800 -0.064 0.000 2.354 -2 G HA2 0.085 4.047 3.960 0.002 0.000 0.266 -2 G HA3 0.085 4.047 3.960 0.002 0.000 0.266 -2 G C 0.743 175.588 174.900 -0.092 0.000 1.242 -2 G CA -0.120 44.909 45.100 -0.118 0.000 0.923 -2 G HN 0.532 nan 8.290 nan 0.000 0.476 -1 S N 1.536 117.175 115.700 -0.101 0.000 2.524 -1 S HA 0.165 4.636 4.470 0.002 0.000 0.215 -1 S C 0.771 175.453 174.600 0.137 0.000 0.986 -1 S CA 0.240 58.472 58.200 0.053 0.000 0.911 -1 S CB -0.099 63.197 63.200 0.161 0.000 0.805 -1 S HN 0.878 nan 8.310 nan 0.000 0.501 0 H N -2.014 117.060 119.070 0.008 0.000 2.928 0 H HA 0.435 4.993 4.556 0.003 0.000 0.285 0 H C 0.454 175.786 175.328 0.007 0.000 1.438 0 H CA -0.893 55.160 56.048 0.008 0.000 1.176 0 H CB 0.027 29.793 29.762 0.008 0.000 1.864 0 H HN -0.076 nan 8.280 nan 0.000 0.567 1 M N 0.708 120.376 119.600 0.112 0.000 2.213 1 M HA -0.054 4.427 4.480 0.002 0.000 0.263 1 M C 2.094 178.398 176.300 0.007 0.000 1.062 1 M CA 1.736 57.060 55.300 0.041 0.000 1.105 1 M CB -1.373 31.264 32.600 0.061 0.000 1.385 1 M HN 0.886 nan 8.290 nan 0.000 0.417 2 G N -0.021 108.817 108.800 0.063 0.000 2.434 2 G HA2 -0.184 3.777 3.960 0.002 0.000 0.214 2 G HA3 -0.184 3.777 3.960 0.002 0.000 0.214 2 G C 1.589 176.422 174.900 -0.112 0.000 1.202 2 G CA 1.316 46.436 45.100 0.034 0.000 0.788 2 G HN 0.586 nan 8.290 nan 0.000 0.539 3 S N 0.068 115.552 115.700 -0.360 0.000 2.496 3 S HA 0.172 4.643 4.470 0.002 0.000 0.224 3 S C 2.230 176.720 174.600 -0.183 0.000 0.996 3 S CA 0.306 58.338 58.200 -0.279 0.000 0.927 3 S CB -0.095 62.871 63.200 -0.390 0.000 0.774 3 S HN 0.335 nan 8.310 nan 0.000 0.524 4 I N 1.286 121.752 120.570 -0.174 0.000 2.353 4 I HA -0.040 4.132 4.170 0.002 0.000 0.248 4 I C 2.171 178.254 176.117 -0.057 0.000 1.119 4 I CA 1.036 62.280 61.300 -0.095 0.000 1.417 4 I CB -0.270 37.687 38.000 -0.071 0.000 1.078 4 I HN 0.262 nan 8.210 nan 0.000 0.421 5 I N 0.812 121.353 120.570 -0.049 0.000 2.315 5 I HA -0.269 3.902 4.170 0.002 0.000 0.248 5 I C 1.505 177.607 176.117 -0.025 0.000 1.117 5 I CA 1.292 62.576 61.300 -0.026 0.000 1.404 5 I CB -0.354 37.637 38.000 -0.015 0.000 1.071 5 I HN 0.215 nan 8.210 nan 0.000 0.419 6 D N 0.888 121.266 120.400 -0.037 0.000 2.348 6 D HA 0.048 4.689 4.640 0.002 0.000 0.211 6 D C 2.148 178.429 176.300 -0.031 0.000 0.998 6 D CA 0.718 54.701 54.000 -0.029 0.000 0.873 6 D CB 0.039 40.822 40.800 -0.029 0.000 0.925 6 D HN 0.260 nan 8.370 nan 0.000 0.524 7 A N 0.458 123.254 122.820 -0.040 0.000 1.972 7 A HA 0.207 4.528 4.320 0.002 0.000 0.219 7 A C 1.269 178.841 177.584 -0.021 0.000 1.169 7 A CA 1.348 53.364 52.037 -0.035 0.000 0.635 7 A CB -0.032 18.943 19.000 -0.041 0.000 0.810 7 A HN 0.236 nan 8.150 nan 0.000 0.446 8 A N -1.592 121.219 122.820 -0.015 0.000 2.414 8 A HA 0.735 5.056 4.320 0.002 0.000 0.306 8 A C 0.184 177.765 177.584 -0.004 0.000 1.054 8 A CA -0.096 51.938 52.037 -0.006 0.000 0.724 8 A CB 0.818 19.818 19.000 -0.001 0.000 1.267 8 A HN 1.210 nan 8.150 nan 0.000 0.418 9 A N 0.944 123.763 122.820 -0.001 0.000 2.310 9 A HA 0.691 5.012 4.320 0.002 0.000 0.260 9 A C 0.978 178.563 177.584 0.002 0.000 1.112 9 A CA 0.268 52.304 52.037 -0.001 0.000 0.804 9 A CB -0.261 18.739 19.000 -0.001 0.000 1.081 9 A HN 2.371 nan 8.150 nan 0.000 0.499 10 A N -0.532 122.289 122.820 0.001 0.000 2.429 10 A HA 0.506 4.828 4.320 0.002 0.000 0.242 10 A C 0.812 178.400 177.584 0.006 0.000 1.088 10 A CA 0.242 52.281 52.037 0.003 0.000 0.784 10 A CB -0.483 18.517 19.000 -0.000 0.000 1.038 10 A HN 2.200 nan 8.150 nan 0.000 0.501 11 A N 0.933 123.759 122.820 0.011 0.000 2.451 11 A HA 0.515 4.836 4.320 0.002 0.000 0.266 11 A C 0.946 178.536 177.584 0.010 0.000 1.119 11 A CA 0.237 52.285 52.037 0.018 0.000 0.786 11 A CB -0.736 18.280 19.000 0.026 0.000 1.061 11 A HN 1.623 nan 8.150 nan 0.000 0.503 12 G N 2.691 111.496 108.800 0.008 0.000 2.651 12 G HA2 0.411 4.372 3.960 0.002 0.000 0.260 12 G HA3 0.411 4.372 3.960 0.002 0.000 0.260 12 G C -1.422 173.476 174.900 -0.003 0.000 1.216 12 G CA -0.963 44.130 45.100 -0.012 0.000 0.913 12 G HN 0.447 nan 8.290 nan 0.000 0.535 13 P HA -0.117 nan 4.420 nan 0.000 0.216 13 P C 2.072 179.392 177.300 0.033 0.000 1.153 13 P CA 0.705 63.802 63.100 -0.006 0.000 0.858 13 P CB 0.063 31.740 31.700 -0.038 0.000 0.789 14 V N -0.650 119.279 119.914 0.024 0.000 2.358 14 V HA -0.181 3.941 4.120 0.002 0.000 0.246 14 V C 2.481 178.669 176.094 0.155 0.000 1.047 14 V CA 1.618 63.972 62.300 0.090 0.000 1.035 14 V CB -1.169 30.695 31.823 0.068 0.000 0.658 14 V HN -0.042 nan 8.190 nan 0.000 0.452 15 V N -0.085 119.903 119.914 0.124 0.000 2.343 15 V HA -0.264 3.857 4.120 0.002 0.000 0.247 15 V C 2.312 178.479 176.094 0.122 0.000 1.051 15 V CA 1.966 64.345 62.300 0.131 0.000 1.036 15 V CB -0.570 31.309 31.823 0.094 0.000 0.654 15 V HN 0.444 nan 8.190 nan 0.000 0.451 16 L N -0.830 120.448 121.223 0.092 0.000 2.046 16 L HA -0.205 4.136 4.340 0.002 0.000 0.208 16 L C 2.574 179.509 176.870 0.109 0.000 1.077 16 L CA 1.682 56.569 54.840 0.079 0.000 0.747 16 L CB -0.573 41.516 42.059 0.050 0.000 0.896 16 L HN 0.364 nan 8.230 nan 0.000 0.432 17 M N 0.236 119.924 119.600 0.146 0.000 2.117 17 M HA -0.212 4.270 4.480 0.002 0.000 0.262 17 M C 1.977 178.449 176.300 0.286 0.000 1.065 17 M CA 1.898 57.331 55.300 0.221 0.000 1.114 17 M CB -0.423 32.336 32.600 0.265 0.000 1.361 17 M HN 0.274 nan 8.290 nan 0.000 0.408 18 E N -0.509 119.849 120.200 0.263 0.000 2.110 18 E HA -0.160 4.191 4.350 0.002 0.000 0.193 18 E C 1.793 178.500 176.600 0.177 0.000 0.988 18 E CA 1.919 58.487 56.400 0.281 0.000 0.804 18 E CB -0.174 29.747 29.700 0.368 0.000 0.745 18 E HN 0.555 nan 8.360 nan 0.000 0.458 19 T N 0.975 115.618 114.554 0.147 0.000 2.720 19 T HA -0.180 4.172 4.350 0.002 0.000 0.268 19 T C 1.998 176.723 174.700 0.042 0.000 1.037 19 T CA 1.222 63.378 62.100 0.093 0.000 1.144 19 T CB -0.222 68.691 68.868 0.075 0.000 0.864 19 T HN 0.258 nan 8.240 nan 0.000 0.444 20 A N 0.739 123.582 122.820 0.038 0.000 1.902 20 A HA -0.016 4.306 4.320 0.002 0.000 0.217 20 A C 1.997 179.491 177.584 -0.150 0.000 1.181 20 A CA 1.322 53.333 52.037 -0.044 0.000 0.623 20 A CB -1.015 17.956 19.000 -0.049 0.000 0.818 20 A HN 0.489 nan 8.150 nan 0.000 0.443 21 F N -0.232 119.527 119.950 -0.318 0.000 2.102 21 F HA -0.147 4.383 4.527 0.005 0.000 0.298 21 F C 2.668 178.194 175.800 -0.456 0.000 1.105 21 F CA 1.751 59.393 58.000 -0.596 0.000 1.239 21 F CB -0.208 37.884 39.000 -1.512 0.000 0.991 21 F HN 0.098 nan 8.300 nan 0.000 0.474 22 R N 0.387 120.810 120.500 -0.128 0.000 2.081 22 R HA -0.164 4.177 4.340 0.002 0.000 0.235 22 R C 2.081 178.395 176.300 0.024 0.000 1.131 22 R CA 1.486 57.617 56.100 0.052 0.000 0.960 22 R CB -0.394 29.992 30.300 0.143 0.000 0.856 22 R HN 0.289 nan 8.270 nan 0.000 0.436 23 K N 0.255 120.649 120.400 -0.010 0.000 2.097 23 K HA -0.077 4.245 4.320 0.002 0.000 0.206 23 K C 2.138 178.716 176.600 -0.036 0.000 1.049 23 K CA 1.279 57.556 56.287 -0.017 0.000 0.933 23 K CB -0.107 32.377 32.500 -0.026 0.000 0.717 23 K HN 0.145 nan 8.250 nan 0.000 0.442 24 A N 0.948 123.722 122.820 -0.076 0.000 1.933 24 A HA -0.111 4.211 4.320 0.002 0.000 0.218 24 A C 2.339 179.911 177.584 -0.019 0.000 1.175 24 A CA 1.307 53.297 52.037 -0.078 0.000 0.628 24 A CB -0.511 18.395 19.000 -0.156 0.000 0.814 24 A HN 0.064 nan 8.150 nan 0.000 0.444 25 V N -0.084 119.838 119.914 0.014 0.000 2.323 25 V HA -0.235 3.887 4.120 0.002 0.000 0.244 25 V C 2.383 178.504 176.094 0.045 0.000 1.041 25 V CA 2.197 64.532 62.300 0.058 0.000 1.025 25 V CB -0.818 31.072 31.823 0.111 0.000 0.656 25 V HN 0.630 nan 8.190 nan 0.000 0.451 26 E N 0.828 121.051 120.200 0.037 0.000 2.110 26 E HA -0.175 4.177 4.350 0.002 0.000 0.193 26 E C 2.138 178.749 176.600 0.018 0.000 0.988 26 E CA 1.649 58.068 56.400 0.031 0.000 0.804 26 E CB -0.207 29.512 29.700 0.030 0.000 0.745 26 E HN 0.721 nan 8.360 nan 0.000 0.458 27 S N 0.061 115.765 115.700 0.007 0.000 2.603 27 S HA 0.039 4.511 4.470 0.002 0.000 0.220 27 S C 0.408 175.009 174.600 0.001 0.000 0.967 27 S CA -0.220 57.980 58.200 -0.001 0.000 0.920 27 S CB 0.142 63.334 63.200 -0.014 0.000 0.773 27 S HN 0.116 nan 8.310 nan 0.000 0.529 28 R N 0.187 120.693 120.500 0.010 0.000 3.656 28 R HA -0.184 4.157 4.340 0.002 0.000 0.297 28 R C 0.450 176.753 176.300 0.006 0.000 1.166 28 R CA 1.051 57.161 56.100 0.016 0.000 0.799 28 R CB -3.020 27.291 30.300 0.017 0.000 1.285 28 R HN 0.665 nan 8.270 nan 0.000 0.477 29 Q N 0.171 119.967 119.800 -0.007 0.000 2.163 29 Q HA 0.181 4.522 4.340 0.002 0.000 0.198 29 Q C 1.317 177.308 176.000 -0.015 0.000 0.954 29 Q CA 1.470 57.257 55.803 -0.027 0.000 0.851 29 Q CB 0.274 28.979 28.738 -0.055 0.000 0.928 29 Q HN 0.683 nan 8.270 nan 0.000 0.459 30 I N -4.346 116.237 120.570 0.022 0.000 2.892 30 I HA 0.377 4.548 4.170 0.002 0.000 0.306 30 I C -2.384 173.797 176.117 0.106 0.000 1.078 30 I CA -2.688 58.661 61.300 0.080 0.000 1.032 30 I CB 1.869 39.968 38.000 0.166 0.000 1.229 30 I HN -0.256 nan 8.210 nan 0.000 0.435 31 P HA 0.186 nan 4.420 nan 0.000 0.215 31 P C 0.518 177.903 177.300 0.141 0.000 1.157 31 P CA 0.904 64.081 63.100 0.128 0.000 0.856 31 P CB 0.149 31.932 31.700 0.139 0.000 0.786 32 G N -2.063 106.844 108.800 0.179 0.000 2.430 32 G HA2 0.589 4.551 3.960 0.002 0.000 0.300 32 G HA3 0.589 4.551 3.960 0.002 0.000 0.300 32 G C -2.145 172.826 174.900 0.118 0.000 1.330 32 G CA 0.044 45.246 45.100 0.170 0.000 0.813 32 G HN 0.240 nan 8.290 nan 0.000 0.487 33 A N -1.388 121.467 122.820 0.058 0.000 2.605 33 A HA 0.807 5.128 4.320 0.002 0.000 0.294 33 A C -1.628 175.899 177.584 -0.095 0.000 1.062 33 A CA -0.437 51.460 52.037 -0.233 0.000 0.682 33 A CB 1.679 20.386 19.000 -0.489 0.000 1.278 33 A HN 1.736 nan 8.150 nan 0.000 0.410 34 V N 2.278 122.083 119.914 -0.182 0.000 2.487 34 V HA 0.623 4.744 4.120 0.002 0.000 0.298 34 V C -0.387 175.558 176.094 -0.248 0.000 1.028 34 V CA -0.298 61.888 62.300 -0.190 0.000 0.860 34 V CB 1.389 33.120 31.823 -0.152 0.000 0.991 34 V HN 0.899 nan 8.190 nan 0.000 0.427 35 I N 2.373 122.718 120.570 -0.376 0.000 2.509 35 I HA 0.834 5.005 4.170 0.002 0.000 0.293 35 I C -0.825 175.111 176.117 -0.302 0.000 1.020 35 I CA -0.720 60.236 61.300 -0.573 0.000 1.088 35 I CB 2.122 39.370 38.000 -1.253 0.000 1.267 35 I HN 0.519 nan 8.210 nan 0.000 0.430 36 M N 5.194 124.782 119.600 -0.019 0.000 2.433 36 M HA 0.806 5.287 4.480 0.002 0.000 0.290 36 M C -1.035 175.544 176.300 0.465 0.000 1.173 36 M CA -0.537 54.873 55.300 0.184 0.000 0.905 36 M CB 2.590 35.227 32.600 0.062 0.000 1.692 36 M HN 0.843 nan 8.290 nan 0.000 0.462 37 A N 2.558 125.623 122.820 0.408 0.000 2.455 37 A HA 0.935 5.256 4.320 0.002 0.000 0.300 37 A C -1.288 176.371 177.584 0.125 0.000 1.040 37 A CA -0.771 51.451 52.037 0.309 0.000 0.697 37 A CB 1.937 21.113 19.000 0.294 0.000 1.265 37 A HN 0.896 nan 8.150 nan 0.000 0.407 38 R N 1.246 121.783 120.500 0.061 0.000 2.698 38 R HA 0.480 4.821 4.340 0.002 0.000 0.275 38 R C -1.486 174.831 176.300 0.028 0.000 1.001 38 R CA -0.760 55.315 56.100 -0.042 0.000 0.896 38 R CB 2.361 32.511 30.300 -0.249 0.000 1.218 38 R HN 0.953 nan 8.270 nan 0.000 0.462 39 D N 0.879 121.292 120.400 0.021 0.000 2.487 39 D HA 0.307 4.948 4.640 0.002 0.000 0.262 39 D C 0.552 176.961 176.300 0.182 0.000 1.130 39 D CA -0.620 53.423 54.000 0.071 0.000 1.038 39 D CB 1.026 41.837 40.800 0.019 0.000 1.142 39 D HN 0.406 nan 8.370 nan 0.000 0.575 40 A N 0.146 123.041 122.820 0.125 0.000 1.929 40 A HA -0.098 4.223 4.320 0.002 0.000 0.216 40 A C 2.097 179.739 177.584 0.095 0.000 1.176 40 A CA 2.094 54.188 52.037 0.095 0.000 0.628 40 A CB -1.049 17.958 19.000 0.012 0.000 0.816 40 A HN 0.656 nan 8.150 nan 0.000 0.444 41 S N -1.701 114.038 115.700 0.064 0.000 2.423 41 S HA 0.259 4.731 4.470 0.002 0.000 0.231 41 S C 1.659 176.289 174.600 0.051 0.000 1.014 41 S CA 1.499 59.724 58.200 0.041 0.000 0.965 41 S CB -0.431 62.782 63.200 0.023 0.000 0.785 41 S HN 1.943 nan 8.310 nan 0.000 0.495 42 G N 1.436 110.278 108.800 0.070 0.000 2.213 42 G HA2 -0.276 3.685 3.960 0.002 0.000 0.236 42 G HA3 -0.276 3.685 3.960 0.002 0.000 0.236 42 G C 0.759 175.654 174.900 -0.009 0.000 0.991 42 G CA 0.286 45.408 45.100 0.037 0.000 0.629 42 G HN 0.482 nan 8.290 nan 0.000 0.517 43 N N -0.339 118.354 118.700 -0.012 0.000 2.381 43 N HA 0.087 4.828 4.740 0.002 0.000 0.182 43 N C 0.729 176.183 175.510 -0.094 0.000 1.025 43 N CA 0.982 54.011 53.050 -0.035 0.000 0.888 43 N CB 0.034 38.512 38.487 -0.014 0.000 0.965 43 N HN 0.594 nan 8.380 nan 0.000 0.438 44 L N 1.119 122.275 121.223 -0.110 0.000 2.298 44 L HA 0.450 4.792 4.340 0.002 0.000 0.284 44 L C -0.838 175.958 176.870 -0.123 0.000 1.013 44 L CA -0.373 54.350 54.840 -0.194 0.000 0.824 44 L CB 0.920 42.848 42.059 -0.219 0.000 1.221 44 L HN -0.124 nan 8.230 nan 0.000 0.418 45 N N 4.247 122.884 118.700 -0.104 0.000 2.710 45 N HA 0.165 4.906 4.740 0.002 0.000 0.244 45 N C -2.147 173.352 175.510 -0.019 0.000 1.321 45 N CA -0.325 52.678 53.050 -0.079 0.000 0.758 45 N CB 0.320 38.750 38.487 -0.094 0.000 1.284 45 N HN 0.525 nan 8.380 nan 0.000 0.530 46 Y N 1.593 121.823 120.300 -0.116 0.000 2.328 46 Y HA 0.624 5.174 4.550 0.001 0.000 0.337 46 Y C -0.927 174.939 175.900 -0.057 0.000 0.966 46 Y CA -0.213 57.840 58.100 -0.078 0.000 1.136 46 Y CB 1.486 39.923 38.460 -0.039 0.000 1.170 46 Y HN 0.196 nan 8.280 nan 0.000 0.470 47 T N 7.372 121.615 114.554 -0.519 0.000 2.928 47 T HA 0.550 4.902 4.350 0.002 0.000 0.296 47 T C -1.128 173.168 174.700 -0.673 0.000 1.000 47 T CA -0.954 60.859 62.100 -0.478 0.000 0.989 47 T CB 0.841 69.536 68.868 -0.289 0.000 1.005 47 T HN 0.427 nan 8.240 nan 0.000 0.442 48 R N 1.438 121.528 120.500 -0.683 0.000 2.628 48 R HA 0.679 5.021 4.340 0.002 0.000 0.288 48 R C -1.314 174.539 176.300 -0.745 0.000 0.980 48 R CA -0.582 55.072 56.100 -0.743 0.000 0.891 48 R CB 1.661 31.504 30.300 -0.761 0.000 1.188 48 R HN 0.669 nan 8.270 nan 0.000 0.450 49 C N 2.659 121.464 119.300 -0.825 0.000 2.441 49 C HA 0.710 5.171 4.460 0.002 0.000 0.318 49 C C -0.843 173.705 174.990 -0.736 0.000 1.222 49 C CA -0.821 57.843 59.018 -0.590 0.000 1.474 49 C CB 0.250 27.790 27.740 -0.333 0.000 2.125 49 C HN 0.669 nan 8.230 nan 0.000 0.479 50 F N 1.607 121.498 119.950 -0.099 0.000 2.540 50 F HA 0.733 5.263 4.527 0.004 0.000 0.317 50 F C 0.827 176.628 175.800 0.002 0.000 1.104 50 F CA 0.729 58.715 58.000 -0.024 0.000 0.913 50 F CB 1.520 40.547 39.000 0.046 0.000 1.170 50 F HN 1.078 nan 8.300 nan 0.000 0.450 51 G N 1.297 110.207 108.800 0.183 0.000 2.562 51 G HA2 0.197 4.158 3.960 0.002 0.000 0.250 51 G HA3 0.197 4.158 3.960 0.002 0.000 0.250 51 G C -0.840 174.109 174.900 0.082 0.000 1.269 51 G CA -0.367 44.812 45.100 0.132 0.000 0.919 51 G HN 1.286 nan 8.290 nan 0.000 0.574 52 A N -0.484 122.386 122.820 0.083 0.000 2.330 52 A HA 0.808 5.130 4.320 0.002 0.000 0.329 52 A C 1.207 178.836 177.584 0.075 0.000 1.135 52 A CA 0.593 52.668 52.037 0.064 0.000 0.817 52 A CB 1.123 20.158 19.000 0.059 0.000 1.269 52 A HN 1.629 nan 8.150 nan 0.000 0.469 53 R N -0.058 120.478 120.500 0.060 0.000 2.334 53 R HA 0.271 4.612 4.340 0.002 0.000 0.220 53 R C 0.097 176.445 176.300 0.080 0.000 0.917 53 R CA 0.796 56.940 56.100 0.073 0.000 1.073 53 R CB -0.021 30.308 30.300 0.047 0.000 1.056 53 R HN 0.590 nan 8.270 nan 0.000 0.506 54 T N -1.082 113.520 114.554 0.081 0.000 2.722 54 T HA 0.173 4.525 4.350 0.002 0.000 0.314 54 T C -0.101 174.651 174.700 0.088 0.000 1.675 54 T CA -0.270 61.885 62.100 0.093 0.000 1.003 54 T CB 1.524 70.422 68.868 0.050 0.000 1.602 54 T HN 0.042 nan 8.240 nan 0.000 0.496 55 V N 0.182 120.160 119.914 0.107 0.000 3.578 55 V HA 0.565 4.687 4.120 0.002 0.000 0.290 55 V C 0.630 176.744 176.094 0.034 0.000 1.376 55 V CA -0.047 62.302 62.300 0.081 0.000 1.083 55 V CB -0.400 31.489 31.823 0.109 0.000 0.911 55 V HN 0.607 nan 8.190 nan 0.000 0.433 56 R N 1.842 122.335 120.500 -0.011 0.000 2.308 56 R HA 0.509 4.851 4.340 0.002 0.000 0.305 56 R C -0.192 176.069 176.300 -0.065 0.000 1.053 56 R CA -0.493 55.550 56.100 -0.095 0.000 0.957 56 R CB 1.162 31.315 30.300 -0.245 0.000 1.022 56 R HN 0.402 nan 8.270 nan 0.000 0.461 57 R N 1.777 122.243 120.500 -0.057 0.000 2.490 57 R HA 0.009 4.351 4.340 0.002 0.000 0.280 57 R C 0.192 176.462 176.300 -0.050 0.000 1.077 57 R CA -0.317 55.759 56.100 -0.040 0.000 1.065 57 R CB 0.543 30.827 30.300 -0.028 0.000 1.003 57 R HN 0.663 nan 8.270 nan 0.000 0.470 58 D N 0.980 121.357 120.400 -0.038 0.000 2.478 58 D HA -0.086 4.555 4.640 0.002 0.000 0.274 58 D C 0.995 177.274 176.300 -0.034 0.000 1.234 58 D CA -0.383 53.593 54.000 -0.040 0.000 1.069 58 D CB 0.260 41.040 40.800 -0.032 0.000 1.113 58 D HN 0.534 nan 8.370 nan 0.000 0.571 59 E N -0.086 120.095 120.200 -0.031 0.000 2.265 59 E HA -0.233 4.119 4.350 0.002 0.000 0.196 59 E C 0.242 176.829 176.600 -0.021 0.000 0.996 59 E CA 1.076 57.460 56.400 -0.026 0.000 0.832 59 E CB -0.841 28.844 29.700 -0.024 0.000 0.756 59 E HN 0.598 nan 8.360 nan 0.000 0.491 60 N N 1.065 119.753 118.700 -0.019 0.000 2.230 60 N HA 0.078 4.819 4.740 0.002 0.000 0.202 60 N C -0.174 175.327 175.510 -0.014 0.000 1.119 60 N CA 0.257 53.298 53.050 -0.015 0.000 0.851 60 N CB 0.234 38.712 38.487 -0.014 0.000 0.990 60 N HN 0.214 nan 8.380 nan 0.000 0.497 61 N N 0.165 118.855 118.700 -0.016 0.000 2.882 61 N HA -0.164 4.577 4.740 0.002 0.000 0.249 61 N C -1.067 174.436 175.510 -0.011 0.000 1.079 61 N CA 0.218 53.259 53.050 -0.014 0.000 0.800 61 N CB -0.280 38.201 38.487 -0.011 0.000 1.124 61 N HN 0.211 nan 8.380 nan 0.000 0.557 62 Q N 0.460 120.253 119.800 -0.012 0.000 2.306 62 Q HA 0.500 4.842 4.340 0.002 0.000 0.269 62 Q C 0.016 176.012 176.000 -0.007 0.000 1.053 62 Q CA -0.374 55.425 55.803 -0.007 0.000 0.879 62 Q CB 1.276 30.009 28.738 -0.007 0.000 1.344 62 Q HN 0.265 nan 8.270 nan 0.000 0.464 63 L N 3.346 124.569 121.223 0.000 0.000 2.277 63 L HA 0.354 4.695 4.340 0.002 0.000 0.284 63 L C -2.027 174.847 176.870 0.006 0.000 1.028 63 L CA -1.708 53.135 54.840 0.005 0.000 0.835 63 L CB 1.207 43.277 42.059 0.018 0.000 1.215 63 L HN 0.254 nan 8.230 nan 0.000 0.425 64 P HA 0.270 nan 4.420 nan 0.000 0.274 64 P C -2.686 174.617 177.300 0.004 0.000 1.231 64 P CA -1.631 61.467 63.100 -0.003 0.000 0.790 64 P CB 0.102 31.795 31.700 -0.012 0.000 0.951 65 P HA 0.146 nan 4.420 nan 0.000 0.278 65 P C -0.501 176.799 177.300 -0.000 0.000 1.238 65 P CA -0.428 62.670 63.100 -0.002 0.000 0.794 65 P CB 0.581 32.268 31.700 -0.022 0.000 0.955 66 L N 3.465 124.693 121.223 0.010 0.000 2.361 66 L HA 0.171 4.513 4.340 0.002 0.000 0.278 66 L C 0.222 177.070 176.870 -0.036 0.000 1.113 66 L CA 0.732 55.578 54.840 0.010 0.000 0.849 66 L CB -0.192 41.890 42.059 0.038 0.000 1.155 66 L HN 0.296 nan 8.230 nan 0.000 0.452 67 Q N 3.065 122.841 119.800 -0.040 0.000 2.378 67 Q HA 0.230 4.572 4.340 0.002 0.000 0.276 67 Q C 0.677 176.621 176.000 -0.093 0.000 1.083 67 Q CA -0.638 55.119 55.803 -0.077 0.000 0.856 67 Q CB 1.890 30.590 28.738 -0.062 0.000 1.383 67 Q HN 0.518 nan 8.270 nan 0.000 0.458 68 V N 1.213 121.053 119.914 -0.124 0.000 2.720 68 V HA -0.198 3.923 4.120 0.002 0.000 0.256 68 V C 0.895 176.921 176.094 -0.114 0.000 1.082 68 V CA 2.650 64.864 62.300 -0.144 0.000 1.101 68 V CB -0.201 31.530 31.823 -0.153 0.000 0.693 68 V HN 0.795 nan 8.190 nan 0.000 0.479 69 D N -1.680 118.674 120.400 -0.076 0.000 2.424 69 D HA 0.060 4.701 4.640 0.002 0.000 0.220 69 D C 0.571 176.862 176.300 -0.015 0.000 1.150 69 D CA -0.069 53.904 54.000 -0.046 0.000 0.831 69 D CB -0.489 40.287 40.800 -0.039 0.000 0.981 69 D HN 0.342 nan 8.370 nan 0.000 0.500 70 T N 2.860 117.409 114.554 -0.008 0.000 2.834 70 T HA 0.240 4.591 4.350 0.002 0.000 0.298 70 T C -2.492 172.259 174.700 0.085 0.000 0.966 70 T CA -0.863 61.256 62.100 0.032 0.000 1.141 70 T CB 1.222 70.114 68.868 0.041 0.000 0.905 70 T HN 0.031 nan 8.240 nan 0.000 0.535 71 P HA 0.231 nan 4.420 nan 0.000 0.266 71 P C -0.735 176.741 177.300 0.292 0.000 1.215 71 P CA -0.231 62.978 63.100 0.182 0.000 0.763 71 P CB 0.161 31.947 31.700 0.144 0.000 0.806 72 C N 3.666 123.197 119.300 0.385 0.000 2.667 72 C HA 0.503 4.964 4.460 0.002 0.000 0.323 72 C C 0.538 175.812 174.990 0.474 0.000 1.214 72 C CA -0.721 58.582 59.018 0.476 0.000 1.721 72 C CB 1.744 29.776 27.740 0.487 0.000 2.275 72 C HN 0.530 nan 8.230 nan 0.000 0.491 73 R N 1.709 122.447 120.500 0.397 0.000 2.296 73 R HA 0.293 4.634 4.340 0.002 0.000 0.323 73 R C 0.427 176.621 176.300 -0.177 0.000 1.067 73 R CA -0.128 55.931 56.100 -0.069 0.000 0.946 73 R CB 0.164 30.309 30.300 -0.259 0.000 0.991 73 R HN 0.814 nan 8.270 nan 0.000 0.448 74 L N 4.381 125.426 121.223 -0.295 0.000 2.270 74 L HA 0.092 4.434 4.340 0.002 0.000 0.210 74 L C 1.655 178.379 176.870 -0.244 0.000 1.104 74 L CA 0.769 55.457 54.840 -0.253 0.000 0.804 74 L CB -0.731 41.223 42.059 -0.175 0.000 0.937 74 L HN 1.022 nan 8.230 nan 0.000 0.450 75 A N 1.117 123.754 122.820 -0.306 0.000 5.481 75 A HA -0.443 3.878 4.320 0.002 0.000 0.318 75 A C 1.729 179.263 177.584 -0.084 0.000 1.837 75 A CA 1.575 53.465 52.037 -0.246 0.000 0.717 75 A CB -1.776 17.087 19.000 -0.229 0.000 1.349 75 A HN 0.399 nan 8.150 nan 0.000 0.388 76 A N -1.161 121.662 122.820 0.006 0.000 2.216 76 A HA 0.347 4.669 4.320 0.002 0.000 0.214 76 A C 2.401 180.176 177.584 0.318 0.000 1.160 76 A CA 1.920 54.084 52.037 0.211 0.000 0.725 76 A CB -1.203 18.011 19.000 0.357 0.000 0.784 76 A HN 2.363 nan 8.150 nan 0.000 0.472 77 A N -0.811 122.127 122.820 0.196 0.000 2.125 77 A HA -0.038 4.283 4.320 0.002 0.000 0.219 77 A C 2.116 179.872 177.584 0.286 0.000 1.156 77 A CA 1.912 54.116 52.037 0.279 0.000 0.671 77 A CB -0.987 17.950 19.000 -0.106 0.000 0.794 77 A HN 0.414 nan 8.150 nan 0.000 0.459 78 T N 0.262 114.917 114.554 0.169 0.000 2.803 78 T HA -0.159 4.193 4.350 0.002 0.000 0.269 78 T C 1.819 176.641 174.700 0.203 0.000 1.052 78 T CA 1.696 63.883 62.100 0.146 0.000 1.136 78 T CB -0.193 68.711 68.868 0.061 0.000 0.864 78 T HN 0.602 nan 8.240 nan 0.000 0.467 79 K N 0.527 121.084 120.400 0.261 0.000 2.103 79 K HA -0.068 4.253 4.320 0.002 0.000 0.207 79 K C 2.169 178.887 176.600 0.198 0.000 1.048 79 K CA 0.931 57.367 56.287 0.247 0.000 0.930 79 K CB -0.399 32.284 32.500 0.304 0.000 0.716 79 K HN 0.186 nan 8.250 nan 0.000 0.444 80 L N 1.568 122.918 121.223 0.211 0.000 2.083 80 L HA -0.161 4.180 4.340 0.002 0.000 0.209 80 L C 1.840 178.708 176.870 -0.004 0.000 1.083 80 L CA 1.522 56.391 54.840 0.048 0.000 0.752 80 L CB -0.298 41.626 42.059 -0.224 0.000 0.899 80 L HN 0.119 nan 8.230 nan 0.000 0.433 81 L N -1.498 119.748 121.223 0.039 0.000 2.027 81 L HA -0.183 4.159 4.340 0.002 0.000 0.206 81 L C 2.323 179.248 176.870 0.091 0.000 1.074 81 L CA 1.723 56.585 54.840 0.037 0.000 0.745 81 L CB -1.357 40.738 42.059 0.060 0.000 0.898 81 L HN 0.225 nan 8.230 nan 0.000 0.433 82 T N -1.136 113.494 114.554 0.127 0.000 2.788 82 T HA -0.155 4.196 4.350 0.002 0.000 0.268 82 T C 1.933 176.679 174.700 0.077 0.000 1.044 82 T CA 1.792 63.968 62.100 0.128 0.000 1.139 82 T CB -0.303 68.656 68.868 0.151 0.000 0.867 82 T HN 0.341 nan 8.240 nan 0.000 0.454 83 T N 2.231 116.827 114.554 0.069 0.000 2.720 83 T HA -0.013 4.339 4.350 0.002 0.000 0.268 83 T C 1.964 176.686 174.700 0.036 0.000 1.037 83 T CA 0.989 63.117 62.100 0.047 0.000 1.144 83 T CB -0.441 68.459 68.868 0.052 0.000 0.864 83 T HN 0.330 nan 8.240 nan 0.000 0.444 84 I N 0.716 121.306 120.570 0.034 0.000 2.179 84 I HA -0.199 3.972 4.170 0.002 0.000 0.242 84 I C 2.542 178.707 176.117 0.080 0.000 1.088 84 I CA 1.401 62.726 61.300 0.040 0.000 1.357 84 I CB -0.361 37.649 38.000 0.017 0.000 1.051 84 I HN 0.252 nan 8.210 nan 0.000 0.409 85 M N -0.367 119.296 119.600 0.105 0.000 2.117 85 M HA -0.182 4.300 4.480 0.002 0.000 0.262 85 M C 2.392 178.684 176.300 -0.013 0.000 1.065 85 M CA 1.459 56.835 55.300 0.127 0.000 1.114 85 M CB -0.429 32.229 32.600 0.096 0.000 1.361 85 M HN 0.101 nan 8.290 nan 0.000 0.408 86 V N 0.885 120.787 119.914 -0.020 0.000 2.332 86 V HA -0.262 3.860 4.120 0.002 0.000 0.248 86 V C 2.268 178.360 176.094 -0.004 0.000 1.055 86 V CA 1.703 63.983 62.300 -0.033 0.000 1.038 86 V CB -0.647 31.166 31.823 -0.017 0.000 0.651 86 V HN 0.471 nan 8.190 nan 0.000 0.450 87 L N -0.742 120.494 121.223 0.022 0.000 2.156 87 L HA -0.186 4.155 4.340 0.002 0.000 0.208 87 L C 2.656 179.553 176.870 0.044 0.000 1.095 87 L CA 1.297 56.155 54.840 0.030 0.000 0.770 87 L CB -0.570 41.510 42.059 0.034 0.000 0.914 87 L HN 0.375 nan 8.230 nan 0.000 0.439 88 Q N -0.801 119.043 119.800 0.073 0.000 2.096 88 Q HA -0.230 4.111 4.340 0.002 0.000 0.204 88 Q C 2.501 178.558 176.000 0.094 0.000 0.982 88 Q CA 1.888 57.755 55.803 0.107 0.000 0.850 88 Q CB -0.342 28.518 28.738 0.203 0.000 0.901 88 Q HN 0.573 nan 8.270 nan 0.000 0.422 89 C N 0.517 119.852 119.300 0.058 0.000 2.429 89 C HA -0.155 4.306 4.460 0.002 0.000 0.277 89 C C 2.679 177.681 174.990 0.019 0.000 1.262 89 C CA 0.704 59.736 59.018 0.024 0.000 1.733 89 C CB -0.888 26.826 27.740 -0.044 0.000 2.010 89 C HN 0.603 nan 8.230 nan 0.000 0.483 90 M N 1.034 120.643 119.600 0.014 0.000 2.086 90 M HA -0.196 4.285 4.480 0.002 0.000 0.261 90 M C 2.234 178.546 176.300 0.019 0.000 1.067 90 M CA 1.880 57.187 55.300 0.011 0.000 1.116 90 M CB -0.494 32.111 32.600 0.008 0.000 1.348 90 M HN 0.431 nan 8.290 nan 0.000 0.407 91 E N 0.121 120.339 120.200 0.029 0.000 2.085 91 E HA -0.218 4.134 4.350 0.002 0.000 0.194 91 E C 1.723 178.340 176.600 0.029 0.000 0.994 91 E CA 1.296 57.713 56.400 0.029 0.000 0.801 91 E CB -0.121 29.600 29.700 0.035 0.000 0.743 91 E HN 0.591 nan 8.360 nan 0.000 0.453 92 R N -0.500 120.022 120.500 0.037 0.000 2.319 92 R HA 0.068 4.409 4.340 0.002 0.000 0.204 92 R C 1.019 177.335 176.300 0.027 0.000 0.954 92 R CA 0.450 56.572 56.100 0.036 0.000 1.066 92 R CB 0.348 30.681 30.300 0.055 0.000 0.991 92 R HN 0.230 nan 8.270 nan 0.000 0.486 93 G N 0.880 109.692 108.800 0.020 0.000 2.153 93 G HA2 -0.276 3.685 3.960 0.002 0.000 0.252 93 G HA3 -0.276 3.685 3.960 0.002 0.000 0.252 93 G C 0.599 175.505 174.900 0.010 0.000 0.994 93 G CA 0.071 45.178 45.100 0.012 0.000 0.698 93 G HN 0.327 nan 8.290 nan 0.000 0.521 94 L N -0.810 120.420 121.223 0.012 0.000 2.270 94 L HA 0.330 4.671 4.340 0.002 0.000 0.210 94 L C 1.410 178.278 176.870 -0.004 0.000 1.104 94 L CA 1.246 56.090 54.840 0.006 0.000 0.804 94 L CB 0.006 42.071 42.059 0.010 0.000 0.937 94 L HN 0.540 nan 8.230 nan 0.000 0.450 95 V N -5.327 114.584 119.914 -0.006 0.000 3.147 95 V HA 0.557 4.678 4.120 0.002 0.000 0.306 95 V C -1.673 174.414 176.094 -0.013 0.000 1.209 95 V CA -1.006 61.286 62.300 -0.014 0.000 1.023 95 V CB 2.729 34.539 31.823 -0.021 0.000 1.059 95 V HN -0.115 nan 8.190 nan 0.000 0.435 96 D N 1.272 121.661 120.400 -0.019 0.000 2.498 96 D HA 0.473 5.115 4.640 0.002 0.000 0.247 96 D C 0.786 177.068 176.300 -0.030 0.000 1.070 96 D CA -0.527 53.461 54.000 -0.020 0.000 0.842 96 D CB 2.386 43.175 40.800 -0.020 0.000 1.361 96 D HN 0.654 nan 8.370 nan 0.000 0.484 97 L N 1.892 123.096 121.223 -0.031 0.000 2.191 97 L HA -0.085 4.256 4.340 0.002 0.000 0.212 97 L C 1.078 177.907 176.870 -0.070 0.000 1.103 97 L CA 0.913 55.726 54.840 -0.045 0.000 0.769 97 L CB 0.014 42.051 42.059 -0.037 0.000 0.908 97 L HN 0.379 nan 8.230 nan 0.000 0.438 98 D N -0.258 120.104 120.400 -0.063 0.000 2.340 98 D HA 0.012 4.654 4.640 0.002 0.000 0.217 98 D C 0.591 176.854 176.300 -0.062 0.000 1.081 98 D CA 0.091 54.044 54.000 -0.079 0.000 0.842 98 D CB 0.263 41.024 40.800 -0.065 0.000 0.934 98 D HN 0.547 nan 8.370 nan 0.000 0.511 99 E N 1.180 121.350 120.200 -0.050 0.000 2.373 99 E HA 0.195 4.547 4.350 0.002 0.000 0.263 99 E C 0.277 176.851 176.600 -0.043 0.000 1.073 99 E CA -0.575 55.801 56.400 -0.040 0.000 0.894 99 E CB 0.719 30.399 29.700 -0.032 0.000 1.008 99 E HN -0.137 nan 8.360 nan 0.000 0.420 100 T N -0.999 113.533 114.554 -0.038 0.000 2.856 100 T HA 0.055 4.406 4.350 0.002 0.000 0.306 100 T C 1.309 175.978 174.700 -0.052 0.000 1.062 100 T CA -0.253 61.823 62.100 -0.040 0.000 1.083 100 T CB 1.164 70.007 68.868 -0.041 0.000 0.984 100 T HN 0.662 nan 8.240 nan 0.000 0.542 101 V N -1.417 118.455 119.914 -0.070 0.000 3.573 101 V HA 0.087 4.208 4.120 0.002 0.000 0.270 101 V C 1.497 177.539 176.094 -0.087 0.000 1.221 101 V CA 0.825 63.074 62.300 -0.085 0.000 1.163 101 V CB -1.082 30.662 31.823 -0.133 0.000 0.847 101 V HN 0.759 nan 8.190 nan 0.000 0.468 102 D N 1.451 121.802 120.400 -0.081 0.000 2.158 102 D HA -0.197 4.445 4.640 0.002 0.000 0.197 102 D C 2.167 178.436 176.300 -0.053 0.000 0.995 102 D CA 1.987 55.942 54.000 -0.076 0.000 0.846 102 D CB -0.281 40.480 40.800 -0.065 0.000 0.941 102 D HN 0.550 nan 8.370 nan 0.000 0.456 103 R N 0.132 120.608 120.500 -0.041 0.000 2.070 103 R HA -0.028 4.313 4.340 0.002 0.000 0.233 103 R C 1.965 178.254 176.300 -0.018 0.000 1.137 103 R CA 1.047 57.132 56.100 -0.027 0.000 0.945 103 R CB -0.198 30.088 30.300 -0.023 0.000 0.845 103 R HN 0.211 nan 8.270 nan 0.000 0.430 104 L N 0.163 121.376 121.223 -0.018 0.000 2.416 104 L HA 0.142 4.483 4.340 0.002 0.000 0.216 104 L C 0.600 177.480 176.870 0.016 0.000 1.098 104 L CA 0.210 55.049 54.840 -0.001 0.000 0.840 104 L CB 0.415 42.474 42.059 -0.000 0.000 0.981 104 L HN 0.169 nan 8.230 nan 0.000 0.462 105 L N 1.050 122.266 121.223 -0.012 0.000 2.732 105 L HA 0.238 4.579 4.340 0.002 0.000 0.246 105 L C -1.582 175.234 176.870 -0.090 0.000 1.407 105 L CA -0.926 53.903 54.840 -0.018 0.000 0.861 105 L CB 0.607 42.622 42.059 -0.074 0.000 1.161 105 L HN -0.131 nan 8.230 nan 0.000 0.510 106 P HA -0.170 nan 4.420 nan 0.000 0.220 106 P C 0.730 177.989 177.300 -0.067 0.000 1.148 106 P CA 1.215 64.279 63.100 -0.059 0.000 0.803 106 P CB 0.222 31.906 31.700 -0.026 0.000 0.782 107 D N -0.006 120.383 120.400 -0.018 0.000 2.178 107 D HA -0.146 4.496 4.640 0.002 0.000 0.202 107 D C 1.973 178.193 176.300 -0.132 0.000 0.974 107 D CA 0.647 54.662 54.000 0.024 0.000 0.841 107 D CB -1.186 39.730 40.800 0.193 0.000 0.953 107 D HN 0.142 nan 8.370 nan 0.000 0.478 108 L N 0.676 121.621 121.223 -0.462 0.000 2.095 108 L HA 0.058 4.400 4.340 0.002 0.000 0.204 108 L C 2.130 178.723 176.870 -0.463 0.000 1.080 108 L CA 1.317 55.651 54.840 -0.843 0.000 0.759 108 L CB -0.694 40.498 42.059 -1.445 0.000 0.914 108 L HN -0.117 nan 8.230 nan 0.000 0.439 109 S N 0.057 115.565 115.700 -0.319 0.000 2.383 109 S HA -0.126 4.345 4.470 0.002 0.000 0.229 109 S C 1.971 176.466 174.600 -0.175 0.000 1.030 109 S CA 1.123 59.190 58.200 -0.221 0.000 1.002 109 S CB -0.520 62.587 63.200 -0.156 0.000 0.829 109 S HN 0.646 nan 8.310 nan 0.000 0.467 110 A N 0.868 123.600 122.820 -0.147 0.000 2.167 110 A HA 0.225 4.547 4.320 0.002 0.000 0.214 110 A C 0.929 178.445 177.584 -0.113 0.000 1.151 110 A CA 0.391 52.365 52.037 -0.105 0.000 0.735 110 A CB -0.338 18.623 19.000 -0.066 0.000 0.802 110 A HN 0.396 nan 8.150 nan 0.000 0.467 111 M N 1.753 121.262 119.600 -0.152 0.000 2.219 111 M HA 0.187 4.668 4.480 0.002 0.000 0.353 111 M C -2.159 174.043 176.300 -0.162 0.000 1.304 111 M CA -1.208 54.004 55.300 -0.146 0.000 1.115 111 M CB 0.348 32.845 32.600 -0.172 0.000 1.664 111 M HN 0.093 nan 8.290 nan 0.000 0.459 112 P HA 0.324 nan 4.420 nan 0.000 0.279 112 P C -0.896 176.287 177.300 -0.194 0.000 1.276 112 P CA -0.547 62.459 63.100 -0.156 0.000 0.801 112 P CB 0.876 32.495 31.700 -0.135 0.000 1.127 113 V N 1.515 121.315 119.914 -0.189 0.000 2.407 113 V HA 0.119 4.241 4.120 0.002 0.000 0.278 113 V C 0.524 176.483 176.094 -0.225 0.000 1.037 113 V CA -0.686 61.487 62.300 -0.211 0.000 0.900 113 V CB 0.869 32.583 31.823 -0.183 0.000 0.983 113 V HN 0.382 nan 8.190 nan 0.000 0.459 114 L N 4.528 125.585 121.223 -0.276 0.000 2.385 114 L HA 0.290 4.631 4.340 0.002 0.000 0.281 114 L C 1.025 177.755 176.870 -0.233 0.000 1.106 114 L CA 0.822 55.479 54.840 -0.306 0.000 0.856 114 L CB 0.484 42.310 42.059 -0.387 0.000 1.186 114 L HN 0.805 nan 8.230 nan 0.000 0.453 115 E N 3.017 123.093 120.200 -0.206 0.000 2.307 115 E HA 0.319 4.671 4.350 0.002 0.000 0.195 115 E C 0.568 177.118 176.600 -0.083 0.000 0.975 115 E CA 0.543 56.867 56.400 -0.126 0.000 0.878 115 E CB 0.385 30.021 29.700 -0.106 0.000 0.845 115 E HN 0.927 nan 8.360 nan 0.000 0.488 116 G N -0.849 107.856 108.800 -0.158 0.000 2.360 116 G HA2 0.270 4.231 3.960 0.002 0.000 0.276 116 G HA3 0.270 4.231 3.960 0.002 0.000 0.276 116 G C -1.656 173.090 174.900 -0.257 0.000 1.256 116 G CA -0.908 44.171 45.100 -0.035 0.000 0.890 116 G HN 0.048 nan 8.290 nan 0.000 0.486 117 F N 0.452 120.425 119.950 0.038 0.000 2.588 117 F HA 0.511 5.039 4.527 0.002 0.000 0.310 117 F C -0.094 175.730 175.800 0.040 0.000 1.082 117 F CA -0.782 57.247 58.000 0.048 0.000 0.929 117 F CB 2.419 41.460 39.000 0.069 0.000 1.254 117 F HN 0.276 nan 8.300 nan 0.000 0.455 118 D N 0.913 121.434 120.400 0.202 0.000 2.398 118 D HA 0.086 4.727 4.640 0.002 0.000 0.247 118 D C 0.296 176.679 176.300 0.139 0.000 1.227 118 D CA 0.215 54.294 54.000 0.131 0.000 0.980 118 D CB 1.077 41.931 40.800 0.090 0.000 1.106 118 D HN 0.593 nan 8.370 nan 0.000 0.493 119 D N 0.044 120.499 120.400 0.091 0.000 2.183 119 D HA -0.049 4.592 4.640 0.002 0.000 0.203 119 D C 1.568 177.907 176.300 0.066 0.000 0.969 119 D CA 0.789 54.832 54.000 0.071 0.000 0.842 119 D CB 0.043 40.873 40.800 0.050 0.000 0.957 119 D HN 0.338 nan 8.370 nan 0.000 0.484 120 A N 0.178 123.040 122.820 0.069 0.000 2.119 120 A HA 0.350 4.671 4.320 0.002 0.000 0.217 120 A C 1.747 179.376 177.584 0.074 0.000 1.153 120 A CA 1.142 53.215 52.037 0.060 0.000 0.692 120 A CB -0.393 18.639 19.000 0.054 0.000 0.799 120 A HN 0.310 nan 8.150 nan 0.000 0.458 121 G N -0.553 108.317 108.800 0.116 0.000 2.309 121 G HA2 -0.122 3.839 3.960 0.002 0.000 0.183 121 G HA3 -0.122 3.839 3.960 0.002 0.000 0.183 121 G C -0.740 174.304 174.900 0.240 0.000 1.063 121 G CA -0.113 45.077 45.100 0.151 0.000 0.768 121 G HN 0.690 nan 8.290 nan 0.000 0.490 122 N N 0.011 118.871 118.700 0.267 0.000 2.284 122 N HA 0.740 5.481 4.740 0.002 0.000 0.300 122 N C 0.182 175.825 175.510 0.222 0.000 1.047 122 N CA -0.049 53.158 53.050 0.262 0.000 0.821 122 N CB 1.863 40.438 38.487 0.147 0.000 1.337 122 N HN 0.716 nan 8.380 nan 0.000 0.482 123 A N 1.254 124.132 122.820 0.095 0.000 2.477 123 A HA 0.280 4.602 4.320 0.002 0.000 0.246 123 A C 0.247 177.682 177.584 -0.249 0.000 1.078 123 A CA -0.251 51.577 52.037 -0.347 0.000 0.770 123 A CB 0.014 18.731 19.000 -0.472 0.000 1.011 123 A HN 0.736 nan 8.150 nan 0.000 0.494 124 R N 2.977 123.281 120.500 -0.326 0.000 2.230 124 R HA 0.509 4.851 4.340 0.002 0.000 0.337 124 R C -1.189 174.979 176.300 -0.220 0.000 1.063 124 R CA -0.175 55.808 56.100 -0.194 0.000 0.935 124 R CB -0.022 30.199 30.300 -0.132 0.000 1.121 124 R HN 0.725 nan 8.270 nan 0.000 0.486 125 L N 5.022 126.141 121.223 -0.173 0.000 2.334 125 L HA 0.652 4.994 4.340 0.002 0.000 0.275 125 L C 0.181 176.976 176.870 -0.125 0.000 1.036 125 L CA -0.922 53.818 54.840 -0.168 0.000 0.807 125 L CB 1.643 43.611 42.059 -0.151 0.000 1.231 125 L HN 0.679 nan 8.230 nan 0.000 0.438 126 R N 0.030 120.453 120.500 -0.127 0.000 2.817 126 R HA 0.505 4.846 4.340 0.002 0.000 0.268 126 R C -1.091 175.144 176.300 -0.108 0.000 1.027 126 R CA -0.987 55.051 56.100 -0.103 0.000 0.928 126 R CB 1.492 31.735 30.300 -0.094 0.000 1.228 126 R HN 0.479 nan 8.270 nan 0.000 0.469 127 E N 1.532 121.677 120.200 -0.092 0.000 2.373 127 E HA 0.063 4.415 4.350 0.002 0.000 0.267 127 E C -0.518 176.019 176.600 -0.104 0.000 1.032 127 E CA -0.514 55.829 56.400 -0.094 0.000 0.889 127 E CB 0.921 30.576 29.700 -0.076 0.000 0.984 127 E HN 0.384 nan 8.360 nan 0.000 0.425 128 R N 3.171 123.599 120.500 -0.119 0.000 2.679 128 R HA 0.058 4.399 4.340 0.002 0.000 0.268 128 R C -0.356 175.879 176.300 -0.109 0.000 1.044 128 R CA 0.172 56.194 56.100 -0.130 0.000 1.105 128 R CB 0.532 30.740 30.300 -0.154 0.000 0.989 128 R HN 0.515 nan 8.270 nan 0.000 0.447 129 R N 2.390 122.825 120.500 -0.108 0.000 2.295 129 R HA 0.372 4.713 4.340 0.002 0.000 0.324 129 R C -0.137 176.105 176.300 -0.097 0.000 0.968 129 R CA 0.027 56.074 56.100 -0.089 0.000 0.837 129 R CB 1.784 32.038 30.300 -0.076 0.000 1.133 129 R HN 0.989 nan 8.270 nan 0.000 0.450 130 G N 2.481 111.233 108.800 -0.080 0.000 2.781 130 G HA2 -0.199 3.762 3.960 0.002 0.000 0.683 130 G HA3 -0.199 3.762 3.960 0.002 0.000 0.683 130 G C -1.111 173.735 174.900 -0.090 0.000 1.390 130 G CA -0.901 44.155 45.100 -0.074 0.000 0.850 130 G HN 0.355 nan 8.290 nan 0.000 0.557 131 K N -0.306 120.057 120.400 -0.062 0.000 2.156 131 K HA 0.634 4.955 4.320 0.002 0.000 0.254 131 K C 0.520 177.097 176.600 -0.039 0.000 0.950 131 K CA -0.912 55.338 56.287 -0.062 0.000 0.849 131 K CB 1.706 34.184 32.500 -0.036 0.000 1.100 131 K HN 0.533 nan 8.250 nan 0.000 0.434 132 I N 2.066 122.590 120.570 -0.077 0.000 2.441 132 I HA 0.057 4.229 4.170 0.002 0.000 0.287 132 I C 1.078 177.243 176.117 0.080 0.000 1.049 132 I CA -0.069 61.223 61.300 -0.013 0.000 1.381 132 I CB 0.930 38.835 38.000 -0.159 0.000 1.409 132 I HN 0.630 nan 8.210 nan 0.000 0.523 133 T N 2.865 117.565 114.554 0.244 0.000 2.948 133 T HA 0.284 4.635 4.350 0.002 0.000 0.285 133 T C 0.721 175.393 174.700 -0.047 0.000 1.019 133 T CA -0.842 61.257 62.100 -0.003 0.000 1.013 133 T CB 1.547 70.326 68.868 -0.150 0.000 1.117 133 T HN 0.396 nan 8.240 nan 0.000 0.533 134 L N 0.407 121.587 121.223 -0.072 0.000 2.127 134 L HA 0.119 4.461 4.340 0.002 0.000 0.211 134 L C 2.714 179.536 176.870 -0.080 0.000 1.089 134 L CA 1.659 56.461 54.840 -0.065 0.000 0.757 134 L CB -1.042 40.986 42.059 -0.052 0.000 0.899 134 L HN 0.815 nan 8.230 nan 0.000 0.434 135 R N -1.724 118.699 120.500 -0.129 0.000 2.115 135 R HA -0.144 4.197 4.340 0.002 0.000 0.230 135 R C 2.197 178.416 176.300 -0.137 0.000 1.111 135 R CA 1.374 57.393 56.100 -0.136 0.000 0.976 135 R CB -0.243 29.954 30.300 -0.171 0.000 0.870 135 R HN 0.563 nan 8.270 nan 0.000 0.445 136 H N -0.105 118.919 119.070 -0.078 0.000 2.353 136 H HA -0.118 4.440 4.556 0.002 0.000 0.300 136 H C 2.072 177.294 175.328 -0.177 0.000 1.090 136 H CA 1.653 57.631 56.048 -0.115 0.000 1.327 136 H CB 0.030 29.713 29.762 -0.132 0.000 1.383 136 H HN 0.132 nan 8.280 nan 0.000 0.508 137 L N 0.152 121.340 121.223 -0.058 0.000 2.046 137 L HA -0.181 4.160 4.340 0.002 0.000 0.208 137 L C 2.116 178.843 176.870 -0.238 0.000 1.077 137 L CA 0.977 55.720 54.840 -0.162 0.000 0.747 137 L CB -0.357 41.640 42.059 -0.104 0.000 0.896 137 L HN 0.308 nan 8.230 nan 0.000 0.432 138 L N -0.457 120.693 121.223 -0.122 0.000 2.275 138 L HA -0.110 4.232 4.340 0.002 0.000 0.215 138 L C 2.238 179.124 176.870 0.027 0.000 1.119 138 L CA 1.496 56.301 54.840 -0.057 0.000 0.790 138 L CB -0.669 41.397 42.059 0.012 0.000 0.919 138 L HN 0.456 nan 8.230 nan 0.000 0.443 139 T N -5.761 108.785 114.554 -0.013 0.000 3.092 139 T HA 0.061 4.412 4.350 0.002 0.000 0.258 139 T C 0.573 175.145 174.700 -0.213 0.000 1.031 139 T CA -0.385 61.763 62.100 0.079 0.000 0.925 139 T CB -0.129 68.846 68.868 0.179 0.000 1.036 139 T HN 0.294 nan 8.240 nan 0.000 0.544 140 H N 1.590 120.433 119.070 -0.378 0.000 2.770 140 H HA -0.133 4.424 4.556 0.002 0.000 0.309 140 H C 0.494 175.443 175.328 -0.633 0.000 1.206 140 H CA 1.272 56.929 56.048 -0.652 0.000 1.147 140 H CB -2.173 26.913 29.762 -1.127 0.000 1.422 140 H HN 0.744 nan 8.280 nan 0.000 0.420 141 T N -3.958 110.451 114.554 -0.241 0.000 3.252 141 T HA 0.186 4.537 4.350 0.002 0.000 0.286 141 T C 1.565 176.139 174.700 -0.210 0.000 1.013 141 T CA 0.262 62.275 62.100 -0.146 0.000 0.914 141 T CB 0.275 69.177 68.868 0.056 0.000 1.131 141 T HN 0.333 nan 8.240 nan 0.000 0.529 142 S N 0.712 116.261 115.700 -0.252 0.000 2.470 142 S HA 0.409 4.880 4.470 0.002 0.000 0.225 142 S C 2.097 176.500 174.600 -0.327 0.000 1.006 142 S CA 0.715 58.730 58.200 -0.307 0.000 0.934 142 S CB -0.551 62.494 63.200 -0.258 0.000 0.778 142 S HN 1.342 nan 8.310 nan 0.000 0.517 143 G N 0.545 109.165 108.800 -0.299 0.000 2.213 143 G HA2 -0.180 3.782 3.960 0.002 0.000 0.226 143 G HA3 -0.180 3.782 3.960 0.002 0.000 0.226 143 G C -0.062 174.658 174.900 -0.301 0.000 0.992 143 G CA -0.012 44.920 45.100 -0.281 0.000 0.632 143 G HN 0.498 nan 8.290 nan 0.000 0.511 144 L N 1.239 122.274 121.223 -0.314 0.000 2.417 144 L HA 0.666 5.008 4.340 0.002 0.000 0.268 144 L C 0.922 177.573 176.870 -0.365 0.000 1.158 144 L CA 0.275 54.920 54.840 -0.325 0.000 0.819 144 L CB 1.530 43.412 42.059 -0.295 0.000 1.112 144 L HN 0.266 nan 8.230 nan 0.000 0.458 145 S N 0.563 116.033 115.700 -0.383 0.000 2.900 145 S HA 0.603 5.075 4.470 0.002 0.000 0.320 145 S C -1.378 172.920 174.600 -0.503 0.000 1.130 145 S CA -0.472 57.505 58.200 -0.371 0.000 0.863 145 S CB 0.975 64.024 63.200 -0.251 0.000 1.295 145 S HN 0.293 nan 8.310 nan 0.000 0.596 146 Y N 0.472 120.558 120.300 -0.356 0.000 2.409 146 Y HA 0.417 4.968 4.550 0.001 0.000 0.339 146 Y C 1.212 176.841 175.900 -0.452 0.000 1.033 146 Y CA -0.592 57.176 58.100 -0.552 0.000 1.094 146 Y CB 1.480 39.323 38.460 -1.029 0.000 1.210 146 Y HN 0.356 nan 8.280 nan 0.000 0.456 147 V N 2.640 122.457 119.914 -0.161 0.000 2.287 147 V HA -0.348 3.774 4.120 0.002 0.000 0.248 147 V C 1.761 177.881 176.094 0.044 0.000 1.053 147 V CA 2.327 64.624 62.300 -0.004 0.000 1.027 147 V CB -0.778 31.113 31.823 0.113 0.000 0.646 147 V HN 0.831 nan 8.190 nan 0.000 0.447 148 F N -1.647 118.401 119.950 0.164 0.000 2.771 148 F HA 0.215 4.743 4.527 0.002 0.000 0.299 148 F C 1.550 177.434 175.800 0.140 0.000 1.177 148 F CA 0.809 58.885 58.000 0.127 0.000 1.450 148 F CB -0.762 38.287 39.000 0.080 0.000 1.114 148 F HN 0.045 nan 8.300 nan 0.000 0.587 149 L N -1.258 119.987 121.223 0.035 0.000 2.624 149 L HA 0.193 4.534 4.340 0.002 0.000 0.222 149 L C 0.611 177.581 176.870 0.167 0.000 1.046 149 L CA -0.000 54.929 54.840 0.149 0.000 0.872 149 L CB -0.050 42.086 42.059 0.129 0.000 1.190 149 L HN 0.140 nan 8.230 nan 0.000 0.487 150 H N 1.763 120.864 119.070 0.051 0.000 2.458 150 H HA 0.190 4.747 4.556 0.002 0.000 0.330 150 H C -1.842 173.533 175.328 0.079 0.000 1.111 150 H CA -1.812 54.270 56.048 0.058 0.000 1.245 150 H CB 2.355 32.118 29.762 0.002 0.000 1.456 150 H HN -0.133 nan 8.280 nan 0.000 0.488 151 P HA -0.114 nan 4.420 nan 0.000 0.217 151 P C 1.734 179.165 177.300 0.218 0.000 1.151 151 P CA 0.719 63.874 63.100 0.092 0.000 0.828 151 P CB 0.633 32.336 31.700 0.005 0.000 0.788 152 L N -0.978 120.487 121.223 0.403 0.000 2.012 152 L HA -0.159 4.182 4.340 0.002 0.000 0.210 152 L C 2.837 179.963 176.870 0.426 0.000 1.073 152 L CA 1.396 56.514 54.840 0.462 0.000 0.748 152 L CB -0.998 41.295 42.059 0.389 0.000 0.891 152 L HN -0.097 nan 8.230 nan 0.000 0.431 153 L N -0.993 120.403 121.223 0.288 0.000 2.109 153 L HA -0.147 4.195 4.340 0.002 0.000 0.207 153 L C 2.824 179.854 176.870 0.268 0.000 1.086 153 L CA 0.933 55.900 54.840 0.211 0.000 0.760 153 L CB -0.446 41.649 42.059 0.059 0.000 0.910 153 L HN 0.187 nan 8.230 nan 0.000 0.437 154 R N 0.032 120.660 120.500 0.214 0.000 2.091 154 R HA -0.236 4.105 4.340 0.002 0.000 0.238 154 R C 2.195 178.579 176.300 0.139 0.000 1.136 154 R CA 1.782 57.984 56.100 0.171 0.000 0.959 154 R CB -0.223 30.159 30.300 0.136 0.000 0.856 154 R HN 0.401 nan 8.270 nan 0.000 0.437 155 E N -0.181 120.077 120.200 0.097 0.000 2.072 155 E HA -0.232 4.119 4.350 0.002 0.000 0.191 155 E C 1.739 178.389 176.600 0.083 0.000 0.985 155 E CA 1.034 57.387 56.400 -0.078 0.000 0.801 155 E CB -0.172 29.245 29.700 -0.471 0.000 0.750 155 E HN 0.334 nan 8.360 nan 0.000 0.452 156 Y N 0.684 121.138 120.300 0.257 0.000 2.114 156 Y HA -0.325 4.227 4.550 0.002 0.000 0.282 156 Y C 2.371 178.475 175.900 0.340 0.000 1.165 156 Y CA 2.367 60.722 58.100 0.424 0.000 1.148 156 Y CB -0.130 38.508 38.460 0.296 0.000 0.972 156 Y HN 0.126 nan 8.280 nan 0.000 0.504 157 M N -0.575 119.222 119.600 0.329 0.000 2.132 157 M HA -0.148 4.333 4.480 0.002 0.000 0.263 157 M C 2.316 178.673 176.300 0.095 0.000 1.065 157 M CA 1.877 57.295 55.300 0.196 0.000 1.122 157 M CB -0.249 32.468 32.600 0.195 0.000 1.365 157 M HN 0.344 nan 8.290 nan 0.000 0.411 158 A N -0.015 122.853 122.820 0.079 0.000 1.978 158 A HA -0.198 4.123 4.320 0.002 0.000 0.220 158 A C 1.926 179.502 177.584 -0.014 0.000 1.170 158 A CA 1.491 53.541 52.037 0.022 0.000 0.636 158 A CB -0.682 18.318 19.000 0.001 0.000 0.810 158 A HN 0.645 nan 8.150 nan 0.000 0.448 159 Q N -1.653 118.146 119.800 -0.002 0.000 2.436 159 Q HA 0.086 4.427 4.340 0.002 0.000 0.209 159 Q C 1.244 177.101 176.000 -0.238 0.000 0.965 159 Q CA 0.929 56.688 55.803 -0.072 0.000 0.910 159 Q CB -0.007 28.775 28.738 0.074 0.000 0.980 159 Q HN 1.056 nan 8.270 nan 0.000 0.491 160 G N -0.019 108.675 108.800 -0.176 0.000 2.134 160 G HA2 -0.280 3.681 3.960 0.002 0.000 0.209 160 G HA3 -0.280 3.681 3.960 0.002 0.000 0.209 160 G C 0.332 175.078 174.900 -0.256 0.000 0.993 160 G CA 0.083 45.065 45.100 -0.197 0.000 0.669 160 G HN 0.348 nan 8.290 nan 0.000 0.519 161 Y N -0.189 119.961 120.300 -0.249 0.000 2.509 161 Y HA 0.345 4.897 4.550 0.002 0.000 0.293 161 Y C 2.398 178.220 175.900 -0.130 0.000 1.133 161 Y CA 1.341 59.234 58.100 -0.345 0.000 1.283 161 Y CB 0.206 38.031 38.460 -1.059 0.000 1.001 161 Y HN 0.360 nan 8.280 nan 0.000 0.555 162 L N -0.611 120.662 121.223 0.084 0.000 3.066 162 L HA 0.132 4.473 4.340 0.002 0.000 0.265 162 L C 1.556 178.471 176.870 0.075 0.000 1.232 162 L CA 0.045 54.965 54.840 0.133 0.000 1.031 162 L CB 0.091 42.269 42.059 0.199 0.000 1.379 162 L HN 0.116 nan 8.230 nan 0.000 0.563 163 Q N 0.406 120.223 119.800 0.028 0.000 2.096 163 Q HA -0.179 4.162 4.340 0.002 0.000 0.204 163 Q C 2.149 178.159 176.000 0.016 0.000 0.982 163 Q CA 2.059 57.868 55.803 0.010 0.000 0.850 163 Q CB 0.024 28.749 28.738 -0.022 0.000 0.901 163 Q HN 0.602 nan 8.270 nan 0.000 0.422 164 S N -0.830 114.882 115.700 0.021 0.000 2.548 164 S HA 0.240 4.711 4.470 0.002 0.000 0.215 164 S C 1.168 175.789 174.600 0.036 0.000 0.976 164 S CA 0.171 58.382 58.200 0.018 0.000 0.908 164 S CB 0.564 63.773 63.200 0.016 0.000 0.781 164 S HN 0.257 nan 8.310 nan 0.000 0.519 165 A N 1.810 124.667 122.820 0.061 0.000 3.105 165 A HA 0.505 4.826 4.320 0.002 0.000 0.272 165 A C 0.249 177.884 177.584 0.085 0.000 1.466 165 A CA -0.585 51.500 52.037 0.080 0.000 1.101 165 A CB -0.689 18.375 19.000 0.106 0.000 1.065 165 A HN 0.762 nan 8.150 nan 0.000 0.643 166 E N -0.848 119.388 120.200 0.059 0.000 2.363 166 E HA 0.660 5.011 4.350 0.002 0.000 0.281 166 E C -1.515 175.087 176.600 0.003 0.000 0.953 166 E CA -1.039 55.400 56.400 0.065 0.000 0.778 166 E CB 1.201 30.941 29.700 0.065 0.000 1.220 166 E HN 0.103 nan 8.360 nan 0.000 0.431 167 K N 1.628 122.032 120.400 0.007 0.000 2.501 167 K HA 0.458 4.779 4.320 0.002 0.000 0.252 167 K C -1.084 175.482 176.600 -0.057 0.000 0.934 167 K CA -0.979 55.197 56.287 -0.185 0.000 0.797 167 K CB 1.311 33.652 32.500 -0.265 0.000 1.270 167 K HN 0.640 nan 8.250 nan 0.000 0.431 168 F N 1.300 121.267 119.950 0.028 0.000 3.084 168 F HA -0.268 4.261 4.527 0.003 0.000 0.286 168 F C 1.110 176.912 175.800 0.002 0.000 0.855 168 F CA 0.929 58.941 58.000 0.019 0.000 1.091 168 F CB -1.960 37.057 39.000 0.028 0.000 1.177 168 F HN 1.037 nan 8.300 nan 0.000 0.542 169 G N -0.085 108.771 108.800 0.093 0.000 2.168 169 G HA2 -0.336 3.626 3.960 0.002 0.000 0.263 169 G HA3 -0.336 3.626 3.960 0.002 0.000 0.263 169 G C 0.097 175.015 174.900 0.030 0.000 0.977 169 G CA 0.194 45.319 45.100 0.042 0.000 0.659 169 G HN 0.560 nan 8.290 nan 0.000 0.533 170 I N 0.859 121.494 120.570 0.109 0.000 2.339 170 I HA 0.305 4.476 4.170 0.002 0.000 0.290 170 I C 0.595 176.837 176.117 0.208 0.000 0.994 170 I CA -0.588 60.806 61.300 0.156 0.000 1.191 170 I CB 1.645 39.809 38.000 0.274 0.000 1.343 170 I HN 0.173 nan 8.210 nan 0.000 0.458 171 Q N 4.332 124.251 119.800 0.198 0.000 2.293 171 Q HA 0.189 4.530 4.340 0.002 0.000 0.251 171 Q C 0.066 176.173 176.000 0.179 0.000 0.930 171 Q CA -0.285 55.620 55.803 0.171 0.000 0.893 171 Q CB 1.367 30.196 28.738 0.152 0.000 1.215 171 Q HN 0.709 nan 8.270 nan 0.000 0.425 172 S N 2.556 118.345 115.700 0.149 0.000 2.549 172 S HA 0.047 4.518 4.470 0.002 0.000 0.286 172 S C 0.657 175.148 174.600 -0.182 0.000 1.314 172 S CA -0.279 57.975 58.200 0.089 0.000 1.062 172 S CB 0.444 63.710 63.200 0.109 0.000 0.865 172 S HN 0.635 nan 8.310 nan 0.000 0.498 173 R N 3.784 123.885 120.500 -0.664 0.000 2.310 173 R HA 0.246 4.587 4.340 0.002 0.000 0.202 173 R C 1.043 177.035 176.300 -0.513 0.000 0.933 173 R CA 0.363 56.082 56.100 -0.636 0.000 1.054 173 R CB -0.607 29.120 30.300 -0.954 0.000 0.985 173 R HN 0.676 nan 8.270 nan 0.000 0.489 174 L N -1.250 119.726 121.223 -0.412 0.000 2.537 174 L HA 0.271 4.612 4.340 0.002 0.000 0.224 174 L C 2.152 179.039 176.870 0.028 0.000 1.065 174 L CA 0.467 55.072 54.840 -0.392 0.000 0.860 174 L CB -0.300 41.375 42.059 -0.639 0.000 1.086 174 L HN -0.018 nan 8.230 nan 0.000 0.482 175 A N 0.537 123.367 122.820 0.016 0.000 1.898 175 A HA 0.058 4.380 4.320 0.002 0.000 0.216 175 A C -1.293 176.337 177.584 0.077 0.000 1.181 175 A CA 0.741 52.830 52.037 0.087 0.000 0.620 175 A CB -1.637 17.424 19.000 0.102 0.000 0.819 175 A HN 0.199 nan 8.150 nan 0.000 0.442 176 P HA 0.257 nan 4.420 nan 0.000 0.272 176 P C -2.521 174.660 177.300 -0.197 0.000 1.223 176 P CA -1.188 61.852 63.100 -0.101 0.000 0.784 176 P CB 0.241 31.877 31.700 -0.108 0.000 0.923 177 P HA 0.224 nan 4.420 nan 0.000 0.276 177 P C -0.793 176.305 177.300 -0.337 0.000 1.261 177 P CA -0.393 62.498 63.100 -0.348 0.000 0.800 177 P CB 0.579 32.005 31.700 -0.457 0.000 1.066 178 A N 0.565 123.205 122.820 -0.300 0.000 2.332 178 A HA 0.371 4.693 4.320 0.002 0.000 0.258 178 A C 1.046 178.431 177.584 -0.332 0.000 1.087 178 A CA -0.010 51.842 52.037 -0.308 0.000 0.802 178 A CB -0.059 18.771 19.000 -0.284 0.000 1.042 178 A HN 0.450 nan 8.150 nan 0.000 0.489 179 V N -1.797 117.902 119.914 -0.358 0.000 3.477 179 V HA 0.361 4.482 4.120 0.002 0.000 0.297 179 V C 0.201 176.138 176.094 -0.260 0.000 1.433 179 V CA 0.436 62.507 62.300 -0.382 0.000 1.052 179 V CB -0.877 30.521 31.823 -0.708 0.000 0.895 179 V HN 0.749 nan 8.190 nan 0.000 0.438 180 N N -0.219 118.340 118.700 -0.235 0.000 3.020 180 N HA 0.331 5.072 4.740 0.002 0.000 0.248 180 N C -1.844 173.549 175.510 -0.195 0.000 1.480 180 N CA -0.390 52.553 53.050 -0.179 0.000 0.874 180 N CB 2.291 40.692 38.487 -0.143 0.000 1.433 180 N HN 0.188 nan 8.380 nan 0.000 0.530 181 D N 0.843 121.141 120.400 -0.170 0.000 2.313 181 D HA 0.327 4.968 4.640 0.002 0.000 0.247 181 D C -2.100 174.057 176.300 -0.238 0.000 1.094 181 D CA -0.767 53.120 54.000 -0.189 0.000 0.925 181 D CB 0.771 41.483 40.800 -0.146 0.000 1.188 181 D HN 0.293 nan 8.370 nan 0.000 0.430 182 P HA 0.073 nan 4.420 nan 0.000 0.268 182 P C 0.832 177.863 177.300 -0.449 0.000 1.205 182 P CA 0.196 62.977 63.100 -0.531 0.000 0.771 182 P CB 0.773 32.029 31.700 -0.740 0.000 0.858 183 G N 2.268 110.830 108.800 -0.397 0.000 2.234 183 G HA2 -0.364 3.597 3.960 0.002 0.000 0.260 183 G HA3 -0.364 3.597 3.960 0.002 0.000 0.260 183 G C 1.111 175.978 174.900 -0.055 0.000 0.987 183 G CA 0.582 45.622 45.100 -0.101 0.000 0.625 183 G HN 0.709 nan 8.290 nan 0.000 0.532 184 A N 0.269 123.032 122.820 -0.094 0.000 1.872 184 A HA 0.480 4.801 4.320 0.002 0.000 0.214 184 A C 1.066 178.638 177.584 -0.020 0.000 1.187 184 A CA 2.081 54.086 52.037 -0.054 0.000 0.614 184 A CB -0.141 18.815 19.000 -0.074 0.000 0.826 184 A HN 1.340 nan 8.150 nan 0.000 0.442 185 E N -3.754 116.427 120.200 -0.030 0.000 2.430 185 E HA 0.369 4.721 4.350 0.002 0.000 0.279 185 E C -1.339 175.275 176.600 0.023 0.000 1.003 185 E CA -1.076 55.337 56.400 0.021 0.000 0.801 185 E CB 0.346 30.058 29.700 0.020 0.000 1.313 185 E HN 0.274 nan 8.360 nan 0.000 0.459 186 W N 2.910 124.159 121.300 -0.086 0.000 2.356 186 W HA 0.459 5.120 4.660 0.001 0.000 0.311 186 W C -1.092 175.328 176.519 -0.165 0.000 1.328 186 W CA -0.045 57.225 57.345 -0.124 0.000 1.251 186 W CB 0.414 29.800 29.460 -0.123 0.000 1.280 186 W HN 0.417 nan 8.180 nan 0.000 0.524 187 I N 8.092 128.236 120.570 -0.709 0.000 2.512 187 I HA 0.062 4.233 4.170 0.002 0.000 0.287 187 I C -0.941 174.651 176.117 -0.875 0.000 1.069 187 I CA -1.342 59.593 61.300 -0.608 0.000 1.056 187 I CB 1.212 39.022 38.000 -0.316 0.000 1.229 187 I HN 0.215 nan 8.210 nan 0.000 0.429 188 Y N 5.639 125.352 120.300 -0.978 0.000 2.569 188 Y HA 0.541 5.092 4.550 0.001 0.000 0.332 188 Y C 0.471 176.199 175.900 -0.288 0.000 1.120 188 Y CA 0.195 57.866 58.100 -0.715 0.000 1.416 188 Y CB 0.457 38.825 38.460 -0.155 0.000 1.210 188 Y HN 0.669 nan 8.280 nan 0.000 0.528 189 G N 2.185 110.617 108.800 -0.613 0.000 2.682 189 G HA2 0.234 4.195 3.960 0.002 0.000 0.303 189 G HA3 0.234 4.195 3.960 0.002 0.000 0.303 189 G C -0.131 174.135 174.900 -1.056 0.000 1.341 189 G CA -0.268 44.253 45.100 -0.965 0.000 0.784 189 G HN 0.558 nan 8.290 nan 0.000 0.497 190 T N -0.772 113.193 114.554 -0.982 0.000 3.496 190 T HA 0.038 4.389 4.350 0.002 0.000 0.253 190 T C 1.394 175.960 174.700 -0.224 0.000 1.134 190 T CA 0.547 62.286 62.100 -0.602 0.000 0.993 190 T CB -0.369 68.218 68.868 -0.468 0.000 1.018 190 T HN 0.350 nan 8.240 nan 0.000 0.571 191 N N 1.456 120.011 118.700 -0.241 0.000 2.137 191 N HA -0.066 4.675 4.740 0.002 0.000 0.190 191 N C 1.386 176.842 175.510 -0.090 0.000 1.017 191 N CA 1.010 53.948 53.050 -0.185 0.000 0.859 191 N CB -0.142 38.064 38.487 -0.468 0.000 1.002 191 N HN 0.352 nan 8.380 nan 0.000 0.428 192 L N 1.351 122.525 121.223 -0.082 0.000 2.418 192 L HA 0.003 4.344 4.340 0.002 0.000 0.218 192 L C 1.563 178.454 176.870 0.035 0.000 1.125 192 L CA 1.001 55.843 54.840 0.004 0.000 0.835 192 L CB -0.861 41.239 42.059 0.068 0.000 0.953 192 L HN 0.084 nan 8.230 nan 0.000 0.454 193 D N -0.781 119.605 120.400 -0.023 0.000 2.097 193 D HA -0.228 4.414 4.640 0.002 0.000 0.197 193 D C 2.099 178.323 176.300 -0.126 0.000 0.984 193 D CA 1.292 55.243 54.000 -0.082 0.000 0.826 193 D CB -0.070 40.549 40.800 -0.302 0.000 0.973 193 D HN 0.354 nan 8.370 nan 0.000 0.460 194 W N 1.702 122.958 121.300 -0.073 0.000 2.381 194 W HA -0.051 4.610 4.660 0.002 0.000 0.301 194 W C 2.766 179.247 176.519 -0.063 0.000 1.205 194 W CA 0.961 58.262 57.345 -0.073 0.000 1.285 194 W CB -0.237 29.152 29.460 -0.118 0.000 1.133 194 W HN -0.064 nan 8.180 nan 0.000 0.521 195 A N 0.456 123.369 122.820 0.156 0.000 1.933 195 A HA -0.100 4.221 4.320 0.002 0.000 0.218 195 A C 2.189 179.793 177.584 0.033 0.000 1.175 195 A CA 1.961 54.037 52.037 0.066 0.000 0.628 195 A CB -1.520 17.492 19.000 0.019 0.000 0.814 195 A HN 0.333 nan 8.150 nan 0.000 0.444 196 G N -0.197 108.622 108.800 0.031 0.000 2.418 196 G HA2 -0.210 3.752 3.960 0.002 0.000 0.217 196 G HA3 -0.210 3.752 3.960 0.002 0.000 0.217 196 G C 1.585 176.464 174.900 -0.034 0.000 1.158 196 G CA 1.035 46.131 45.100 -0.006 0.000 0.771 196 G HN 0.406 nan 8.290 nan 0.000 0.545 197 K N 0.202 120.599 120.400 -0.005 0.000 2.063 197 K HA -0.006 4.315 4.320 0.002 0.000 0.208 197 K C 2.400 179.016 176.600 0.026 0.000 1.048 197 K CA 0.680 56.970 56.287 0.005 0.000 0.928 197 K CB -0.811 31.715 32.500 0.044 0.000 0.713 197 K HN 0.418 nan 8.250 nan 0.000 0.442 198 L N 0.897 122.149 121.223 0.049 0.000 2.046 198 L HA -0.181 4.160 4.340 0.002 0.000 0.208 198 L C 2.183 179.029 176.870 -0.040 0.000 1.077 198 L CA 1.044 55.896 54.840 0.019 0.000 0.747 198 L CB -0.194 41.879 42.059 0.022 0.000 0.896 198 L HN -0.144 nan 8.230 nan 0.000 0.432 199 V N 0.099 119.962 119.914 -0.086 0.000 2.332 199 V HA -0.321 3.800 4.120 0.002 0.000 0.248 199 V C 2.436 178.430 176.094 -0.167 0.000 1.055 199 V CA 2.264 64.450 62.300 -0.190 0.000 1.038 199 V CB -0.609 31.037 31.823 -0.295 0.000 0.651 199 V HN 0.521 nan 8.190 nan 0.000 0.450 200 E N -0.293 119.843 120.200 -0.107 0.000 2.077 200 E HA -0.220 4.132 4.350 0.002 0.000 0.193 200 E C 2.467 179.048 176.600 -0.033 0.000 0.989 200 E CA 1.230 57.592 56.400 -0.064 0.000 0.800 200 E CB -0.161 29.503 29.700 -0.060 0.000 0.746 200 E HN 0.548 nan 8.360 nan 0.000 0.452 201 R N 0.205 120.691 120.500 -0.024 0.000 2.119 201 R HA 0.034 4.375 4.340 0.002 0.000 0.222 201 R C 2.268 178.563 176.300 -0.009 0.000 1.088 201 R CA 0.863 56.959 56.100 -0.006 0.000 0.984 201 R CB -0.094 30.212 30.300 0.009 0.000 0.884 201 R HN 0.070 nan 8.270 nan 0.000 0.447 202 A N 0.608 123.413 122.820 -0.024 0.000 2.015 202 A HA -0.123 4.199 4.320 0.002 0.000 0.219 202 A C 2.062 179.643 177.584 -0.005 0.000 1.163 202 A CA 1.821 53.845 52.037 -0.020 0.000 0.646 202 A CB -0.387 18.590 19.000 -0.039 0.000 0.806 202 A HN 0.449 nan 8.150 nan 0.000 0.448 203 T N -5.724 108.827 114.554 -0.005 0.000 2.990 203 T HA 0.410 4.761 4.350 0.002 0.000 0.250 203 T C 1.450 176.181 174.700 0.053 0.000 1.041 203 T CA 1.106 63.233 62.100 0.045 0.000 1.010 203 T CB 0.200 69.125 68.868 0.095 0.000 1.003 203 T HN 1.623 nan 8.240 nan 0.000 0.499 204 G N 1.546 110.364 108.800 0.030 0.000 2.155 204 G HA2 -0.208 3.753 3.960 0.002 0.000 0.257 204 G HA3 -0.208 3.753 3.960 0.002 0.000 0.257 204 G C -0.103 174.820 174.900 0.039 0.000 0.983 204 G CA 0.529 45.647 45.100 0.029 0.000 0.676 204 G HN 0.650 nan 8.290 nan 0.000 0.528 205 L N 0.938 122.197 121.223 0.059 0.000 2.334 205 L HA 0.501 4.842 4.340 0.002 0.000 0.273 205 L C 0.392 177.290 176.870 0.047 0.000 1.013 205 L CA -1.162 53.723 54.840 0.075 0.000 0.816 205 L CB 1.328 43.478 42.059 0.150 0.000 1.278 205 L HN 0.311 nan 8.230 nan 0.000 0.431 206 D N 1.722 122.140 120.400 0.029 0.000 2.357 206 D HA 0.012 4.653 4.640 0.002 0.000 0.242 206 D C 0.904 177.210 176.300 0.010 0.000 1.153 206 D CA -0.229 53.763 54.000 -0.014 0.000 0.918 206 D CB 1.356 42.134 40.800 -0.036 0.000 1.181 206 D HN 0.435 nan 8.370 nan 0.000 0.435 207 L N 0.177 121.347 121.223 -0.088 0.000 2.131 207 L HA -0.199 4.143 4.340 0.002 0.000 0.210 207 L C 2.270 179.211 176.870 0.119 0.000 1.092 207 L CA 1.560 56.367 54.840 -0.055 0.000 0.759 207 L CB -0.324 41.531 42.059 -0.340 0.000 0.903 207 L HN 0.576 nan 8.230 nan 0.000 0.435 208 E N 0.228 120.464 120.200 0.060 0.000 2.038 208 E HA -0.316 4.035 4.350 0.002 0.000 0.195 208 E C 2.100 178.821 176.600 0.203 0.000 1.000 208 E CA 1.833 58.393 56.400 0.267 0.000 0.803 208 E CB -0.169 29.642 29.700 0.185 0.000 0.750 208 E HN 0.405 nan 8.360 nan 0.000 0.448 209 Q N -1.442 118.438 119.800 0.132 0.000 2.079 209 Q HA -0.195 4.146 4.340 0.002 0.000 0.200 209 Q C 2.072 178.133 176.000 0.103 0.000 0.974 209 Q CA 1.464 57.326 55.803 0.099 0.000 0.840 209 Q CB -0.317 28.463 28.738 0.071 0.000 0.898 209 Q HN 0.496 nan 8.270 nan 0.000 0.430 210 Y N 0.666 121.002 120.300 0.059 0.000 2.145 210 Y HA -0.300 4.254 4.550 0.006 0.000 0.286 210 Y C 2.033 177.982 175.900 0.082 0.000 1.145 210 Y CA 1.615 59.751 58.100 0.059 0.000 1.148 210 Y CB -0.298 38.193 38.460 0.051 0.000 0.981 210 Y HN 0.269 nan 8.280 nan 0.000 0.507 211 L N 0.534 121.938 121.223 0.302 0.000 1.990 211 L HA -0.307 4.034 4.340 0.002 0.000 0.213 211 L C 2.197 179.108 176.870 0.068 0.000 1.072 211 L CA 2.052 57.027 54.840 0.225 0.000 0.755 211 L CB -0.980 41.270 42.059 0.318 0.000 0.889 211 L HN 0.263 nan 8.230 nan 0.000 0.432 212 Q N -0.007 119.831 119.800 0.064 0.000 2.084 212 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 212 Q C 2.224 178.202 176.000 -0.038 0.000 0.978 212 Q CA 2.175 57.991 55.803 0.021 0.000 0.844 212 Q CB -0.408 28.351 28.738 0.036 0.000 0.898 212 Q HN 0.708 nan 8.270 nan 0.000 0.426 213 E N -0.061 120.083 120.200 -0.094 0.000 2.216 213 E HA -0.023 4.328 4.350 0.002 0.000 0.192 213 E C 1.278 177.761 176.600 -0.196 0.000 0.988 213 E CA 0.452 56.768 56.400 -0.140 0.000 0.834 213 E CB 0.176 29.779 29.700 -0.163 0.000 0.772 213 E HN 0.354 nan 8.360 nan 0.000 0.479 214 N N -0.536 117.995 118.700 -0.281 0.000 2.227 214 N HA 0.178 4.920 4.740 0.002 0.000 0.196 214 N C 1.361 176.803 175.510 -0.113 0.000 1.142 214 N CA 0.296 53.178 53.050 -0.279 0.000 0.887 214 N CB 1.218 39.324 38.487 -0.634 0.000 1.022 214 N HN 0.135 nan 8.380 nan 0.000 0.500 215 I N -0.502 120.029 120.570 -0.064 0.000 3.739 215 I HA 0.025 4.197 4.170 0.002 0.000 0.272 215 I C 1.650 177.752 176.117 -0.026 0.000 1.167 215 I CA 0.240 61.527 61.300 -0.023 0.000 1.386 215 I CB 0.178 38.187 38.000 0.014 0.000 1.490 215 I HN -0.018 nan 8.210 nan 0.000 0.452 216 C N 1.378 120.668 119.300 -0.017 0.000 2.453 216 C HA -0.018 4.443 4.460 0.002 0.000 0.277 216 C C 3.126 178.106 174.990 -0.017 0.000 1.262 216 C CA 1.125 60.138 59.018 -0.010 0.000 1.718 216 C CB -1.045 26.699 27.740 0.006 0.000 2.031 216 C HN 0.577 nan 8.230 nan 0.000 0.480 217 A N 1.833 124.637 122.820 -0.027 0.000 1.883 217 A HA -0.107 4.214 4.320 0.002 0.000 0.217 217 A C 0.243 177.811 177.584 -0.027 0.000 1.186 217 A CA 2.004 54.025 52.037 -0.027 0.000 0.624 217 A CB -1.957 17.022 19.000 -0.036 0.000 0.822 217 A HN 0.495 nan 8.150 nan 0.000 0.444 218 P HA -0.037 nan 4.420 nan 0.000 0.222 218 P C 0.910 178.196 177.300 -0.023 0.000 1.147 218 P CA 0.778 63.860 63.100 -0.029 0.000 0.790 218 P CB -0.036 31.644 31.700 -0.034 0.000 0.780 219 L N -2.543 118.667 121.223 -0.022 0.000 2.640 219 L HA 0.326 4.667 4.340 0.002 0.000 0.230 219 L C 1.210 178.074 176.870 -0.011 0.000 1.123 219 L CA 0.364 55.194 54.840 -0.017 0.000 0.900 219 L CB -0.724 41.322 42.059 -0.021 0.000 1.146 219 L HN 0.066 nan 8.230 nan 0.000 0.484 220 G N 1.660 110.453 108.800 -0.012 0.000 2.249 220 G HA2 -0.296 3.665 3.960 0.002 0.000 0.273 220 G HA3 -0.296 3.665 3.960 0.002 0.000 0.273 220 G C 0.114 175.010 174.900 -0.006 0.000 1.036 220 G CA 0.024 45.119 45.100 -0.009 0.000 0.824 220 G HN 0.328 nan 8.290 nan 0.000 0.504 221 I N 0.896 121.463 120.570 -0.005 0.000 2.371 221 I HA 0.374 4.546 4.170 0.002 0.000 0.290 221 I C 1.577 177.698 176.117 0.007 0.000 1.028 221 I CA 0.426 61.726 61.300 0.001 0.000 1.345 221 I CB 1.495 39.496 38.000 0.002 0.000 1.407 221 I HN 0.247 nan 8.210 nan 0.000 0.501 222 T N -1.035 113.525 114.554 0.010 0.000 3.084 222 T HA 0.127 4.479 4.350 0.002 0.000 0.270 222 T C 0.213 174.928 174.700 0.024 0.000 1.008 222 T CA -0.282 61.826 62.100 0.014 0.000 0.900 222 T CB -0.178 68.695 68.868 0.008 0.000 1.084 222 T HN 0.665 nan 8.240 nan 0.000 0.538 223 D N 0.729 121.148 120.400 0.032 0.000 2.908 223 D HA 0.281 4.922 4.640 0.002 0.000 0.361 223 D C -0.230 176.113 176.300 0.071 0.000 1.416 223 D CA -0.421 53.608 54.000 0.048 0.000 0.796 223 D CB -0.156 40.669 40.800 0.043 0.000 1.185 223 D HN 0.453 nan 8.370 nan 0.000 0.451 224 M N 0.711 120.349 119.600 0.064 0.000 2.142 224 M HA 0.482 4.964 4.480 0.002 0.000 0.299 224 M C -1.827 174.505 176.300 0.053 0.000 0.960 224 M CA 0.042 55.381 55.300 0.064 0.000 0.920 224 M CB 2.165 34.792 32.600 0.045 0.000 1.541 224 M HN -0.006 nan 8.290 nan 0.000 0.429 225 T N 2.670 117.260 114.554 0.060 0.000 2.942 225 T HA 0.458 4.809 4.350 0.002 0.000 0.327 225 T C -0.322 174.434 174.700 0.093 0.000 1.360 225 T CA -0.424 61.732 62.100 0.093 0.000 1.055 225 T CB 0.929 69.879 68.868 0.135 0.000 1.261 225 T HN 0.577 nan 8.240 nan 0.000 0.485 226 F N 1.687 121.747 119.950 0.184 0.000 2.615 226 F HA 0.329 4.858 4.527 0.004 0.000 0.297 226 F C 1.788 177.721 175.800 0.220 0.000 1.124 226 F CA 0.254 58.376 58.000 0.203 0.000 1.451 226 F CB 0.460 39.523 39.000 0.105 0.000 1.103 226 F HN 0.146 nan 8.300 nan 0.000 0.569 227 K N 1.219 121.800 120.400 0.303 0.000 2.847 227 K HA 0.189 4.511 4.320 0.002 0.000 0.213 227 K C 0.961 177.597 176.600 0.060 0.000 1.174 227 K CA -0.130 56.253 56.287 0.159 0.000 1.095 227 K CB 0.681 33.250 32.500 0.115 0.000 1.581 227 K HN 0.165 nan 8.250 nan 0.000 0.514 228 L N 1.230 122.438 121.223 -0.024 0.000 2.079 228 L HA -0.208 4.134 4.340 0.002 0.000 0.210 228 L C 1.736 178.536 176.870 -0.117 0.000 1.081 228 L CA 1.984 56.717 54.840 -0.178 0.000 0.752 228 L CB -0.001 41.666 42.059 -0.653 0.000 0.896 228 L HN 0.307 nan 8.230 nan 0.000 0.433 229 Q N -0.329 119.412 119.800 -0.098 0.000 2.364 229 Q HA -0.171 4.170 4.340 0.002 0.000 0.209 229 Q C 1.802 177.777 176.000 -0.042 0.000 0.977 229 Q CA 1.142 56.903 55.803 -0.070 0.000 0.885 229 Q CB -0.274 28.419 28.738 -0.075 0.000 0.941 229 Q HN 0.716 nan 8.270 nan 0.000 0.464 230 Q N -0.070 119.715 119.800 -0.025 0.000 2.320 230 Q HA 0.106 4.447 4.340 0.002 0.000 0.201 230 Q C -0.076 175.922 176.000 -0.004 0.000 0.910 230 Q CA 0.033 55.830 55.803 -0.009 0.000 0.946 230 Q CB 0.720 29.461 28.738 0.005 0.000 1.062 230 Q HN -0.038 nan 8.270 nan 0.000 0.503 231 R N 0.958 121.451 120.500 -0.012 0.000 2.402 231 R HA 0.201 4.543 4.340 0.002 0.000 0.290 231 R C -2.162 174.128 176.300 -0.016 0.000 1.321 231 R CA -1.922 54.174 56.100 -0.007 0.000 1.283 231 R CB 0.814 31.116 30.300 0.003 0.000 1.111 231 R HN 0.006 nan 8.270 nan 0.000 0.578 232 P HA -0.191 nan 4.420 nan 0.000 0.216 232 P C 0.838 178.128 177.300 -0.017 0.000 1.150 232 P CA 1.274 64.363 63.100 -0.018 0.000 0.837 232 P CB 0.293 31.985 31.700 -0.014 0.000 0.786 233 D N -0.481 119.912 120.400 -0.011 0.000 2.144 233 D HA -0.167 4.474 4.640 0.002 0.000 0.199 233 D C 1.796 178.091 176.300 -0.009 0.000 0.984 233 D CA 1.281 55.276 54.000 -0.009 0.000 0.834 233 D CB -0.985 39.813 40.800 -0.004 0.000 0.955 233 D HN 0.214 nan 8.370 nan 0.000 0.465 234 M N -0.021 119.575 119.600 -0.005 0.000 2.193 234 M HA 0.037 4.518 4.480 0.002 0.000 0.265 234 M C 2.606 178.894 176.300 -0.019 0.000 1.071 234 M CA 0.706 56.006 55.300 0.000 0.000 1.140 234 M CB -0.137 32.472 32.600 0.016 0.000 1.369 234 M HN -0.061 nan 8.290 nan 0.000 0.423 235 L N 0.135 121.336 121.223 -0.036 0.000 2.042 235 L HA -0.208 4.133 4.340 0.002 0.000 0.210 235 L C 2.751 179.588 176.870 -0.054 0.000 1.076 235 L CA 1.321 56.128 54.840 -0.055 0.000 0.749 235 L CB -0.791 41.238 42.059 -0.050 0.000 0.893 235 L HN 0.319 nan 8.230 nan 0.000 0.432 236 A N -0.406 122.391 122.820 -0.039 0.000 2.067 236 A HA -0.139 4.183 4.320 0.002 0.000 0.219 236 A C 2.194 179.755 177.584 -0.038 0.000 1.158 236 A CA 1.278 53.293 52.037 -0.037 0.000 0.661 236 A CB -0.306 18.677 19.000 -0.027 0.000 0.801 236 A HN 0.407 nan 8.150 nan 0.000 0.452 237 R N -0.782 119.698 120.500 -0.033 0.000 2.437 237 R HA 0.103 4.444 4.340 0.002 0.000 0.257 237 R C 0.287 176.571 176.300 -0.027 0.000 0.927 237 R CA -0.206 55.879 56.100 -0.026 0.000 1.078 237 R CB 0.313 30.606 30.300 -0.013 0.000 1.161 237 R HN 0.653 nan 8.270 nan 0.000 0.529 238 R N 0.833 121.302 120.500 -0.051 0.000 2.694 238 R HA 0.410 4.752 4.340 0.002 0.000 0.268 238 R C -0.155 176.089 176.300 -0.093 0.000 1.061 238 R CA -0.120 55.945 56.100 -0.059 0.000 1.133 238 R CB 0.443 30.664 30.300 -0.133 0.000 1.020 238 R HN -0.153 nan 8.270 nan 0.000 0.475 239 A N 2.193 124.995 122.820 -0.029 0.000 2.483 239 A HA 0.091 4.412 4.320 0.002 0.000 0.238 239 A C -0.447 176.995 177.584 -0.237 0.000 1.070 239 A CA -0.226 51.801 52.037 -0.016 0.000 0.770 239 A CB 0.107 19.201 19.000 0.156 0.000 1.008 239 A HN 0.825 nan 8.150 nan 0.000 0.497 240 D N 0.458 120.808 120.400 -0.084 0.000 2.229 240 D HA 0.309 4.950 4.640 0.002 0.000 0.249 240 D C 0.100 176.524 176.300 0.206 0.000 1.027 240 D CA -0.043 53.945 54.000 -0.020 0.000 0.923 240 D CB 1.056 41.982 40.800 0.210 0.000 1.174 240 D HN 0.641 nan 8.370 nan 0.000 0.443 241 Q N 0.251 120.259 119.800 0.348 0.000 2.314 241 Q HA 0.263 4.605 4.340 0.002 0.000 0.258 241 Q C -0.842 175.278 176.000 0.200 0.000 0.954 241 Q CA 0.070 56.069 55.803 0.327 0.000 0.890 241 Q CB 0.674 29.620 28.738 0.347 0.000 1.210 241 Q HN 0.271 nan 8.270 nan 0.000 0.410 242 T N 3.648 118.315 114.554 0.189 0.000 2.885 242 T HA 0.303 4.655 4.350 0.002 0.000 0.285 242 T C -1.221 173.575 174.700 0.159 0.000 1.019 242 T CA -0.582 61.617 62.100 0.165 0.000 1.010 242 T CB 1.018 69.979 68.868 0.154 0.000 1.022 242 T HN 0.516 nan 8.240 nan 0.000 0.466 243 H N 2.023 121.118 119.070 0.041 0.000 2.538 243 H HA 0.441 4.998 4.556 0.002 0.000 0.353 243 H C -0.681 174.656 175.328 0.015 0.000 1.109 243 H CA -0.794 55.265 56.048 0.019 0.000 1.192 243 H CB 1.406 31.168 29.762 -0.000 0.000 1.555 243 H HN 0.458 nan 8.280 nan 0.000 0.518 244 R N 3.860 124.068 120.500 -0.487 0.000 2.229 244 R HA 0.073 4.414 4.340 0.002 0.000 0.328 244 R C -0.562 175.546 176.300 -0.320 0.000 1.009 244 R CA -0.650 55.272 56.100 -0.298 0.000 0.864 244 R CB 0.279 30.435 30.300 -0.239 0.000 1.085 244 R HN 0.595 nan 8.270 nan 0.000 0.453 245 N N 1.796 120.487 118.700 -0.014 0.000 2.497 245 N HA -0.081 4.661 4.740 0.002 0.000 0.268 245 N C 0.832 176.351 175.510 0.015 0.000 1.171 245 N CA 0.518 53.621 53.050 0.088 0.000 0.948 245 N CB 1.564 40.110 38.487 0.098 0.000 1.069 245 N HN 0.539 nan 8.380 nan 0.000 0.460 246 S N 2.871 118.595 115.700 0.040 0.000 2.399 246 S HA -0.134 4.338 4.470 0.002 0.000 0.231 246 S C 1.653 176.254 174.600 0.003 0.000 1.022 246 S CA 1.419 59.623 58.200 0.007 0.000 0.983 246 S CB -0.354 62.861 63.200 0.026 0.000 0.803 246 S HN 0.719 nan 8.310 nan 0.000 0.480 247 A N 1.636 124.466 122.820 0.016 0.000 1.872 247 A HA -0.034 4.288 4.320 0.002 0.000 0.214 247 A C 1.658 179.244 177.584 0.002 0.000 1.187 247 A CA 1.648 53.691 52.037 0.010 0.000 0.614 247 A CB -0.322 18.688 19.000 0.017 0.000 0.826 247 A HN 0.755 nan 8.150 nan 0.000 0.442 248 D N -3.265 117.138 120.400 0.004 0.000 2.503 248 D HA 0.264 4.906 4.640 0.002 0.000 0.218 248 D C 1.022 177.316 176.300 -0.010 0.000 1.183 248 D CA 0.752 54.751 54.000 -0.001 0.000 0.827 248 D CB -0.520 40.283 40.800 0.006 0.000 1.034 248 D HN 0.802 nan 8.370 nan 0.000 0.510 249 G N 1.160 109.949 108.800 -0.018 0.000 2.168 249 G HA2 -0.367 3.594 3.960 0.002 0.000 0.257 249 G HA3 -0.367 3.594 3.960 0.002 0.000 0.257 249 G C 0.337 175.220 174.900 -0.027 0.000 0.997 249 G CA 0.367 45.445 45.100 -0.036 0.000 0.708 249 G HN 0.519 nan 8.290 nan 0.000 0.520 250 R N -0.522 119.975 120.500 -0.006 0.000 2.500 250 R HA 0.698 5.040 4.340 0.002 0.000 0.275 250 R C 0.758 177.069 176.300 0.018 0.000 1.051 250 R CA -0.563 55.543 56.100 0.009 0.000 1.088 250 R CB 0.331 30.645 30.300 0.023 0.000 1.063 250 R HN 0.214 nan 8.270 nan 0.000 0.511 251 L N 4.134 125.374 121.223 0.029 0.000 2.305 251 L HA 0.496 4.838 4.340 0.002 0.000 0.281 251 L C 0.420 177.341 176.870 0.085 0.000 1.085 251 L CA -0.182 54.688 54.840 0.049 0.000 0.813 251 L CB 1.118 43.208 42.059 0.051 0.000 1.157 251 L HN 0.500 nan 8.230 nan 0.000 0.436 252 R N 1.399 121.971 120.500 0.120 0.000 2.795 252 R HA 0.319 4.660 4.340 0.002 0.000 0.275 252 R C -1.215 175.199 176.300 0.191 0.000 0.981 252 R CA -1.046 55.143 56.100 0.149 0.000 0.917 252 R CB 2.244 32.626 30.300 0.137 0.000 1.202 252 R HN 0.363 nan 8.270 nan 0.000 0.469 253 Y N 1.615 121.961 120.300 0.077 0.000 2.620 253 Y HA -0.036 4.515 4.550 0.002 0.000 0.330 253 Y C -0.317 175.637 175.900 0.090 0.000 1.186 253 Y CA 0.271 58.418 58.100 0.079 0.000 1.467 253 Y CB 0.448 38.940 38.460 0.054 0.000 1.262 253 Y HN 0.403 nan 8.280 nan 0.000 0.550 254 D N 5.392 125.508 120.400 -0.474 0.000 2.460 254 D HA 0.068 4.709 4.640 0.002 0.000 0.232 254 D C -1.189 174.721 176.300 -0.650 0.000 1.079 254 D CA -0.491 53.280 54.000 -0.381 0.000 0.864 254 D CB 0.329 41.093 40.800 -0.060 0.000 1.048 254 D HN 0.618 nan 8.370 nan 0.000 0.523 255 D N 2.540 122.543 120.400 -0.661 0.000 2.600 255 D HA -0.025 4.617 4.640 0.002 0.000 0.226 255 D C -0.370 175.864 176.300 -0.110 0.000 1.119 255 D CA 0.062 53.827 54.000 -0.390 0.000 1.051 255 D CB -0.239 40.479 40.800 -0.137 0.000 1.106 255 D HN 0.079 nan 8.370 nan 0.000 0.491 256 S N 1.546 117.239 115.700 -0.011 0.000 2.531 256 S HA 0.064 4.535 4.470 0.002 0.000 0.279 256 S C 1.929 176.553 174.600 0.040 0.000 1.305 256 S CA -0.414 57.813 58.200 0.046 0.000 1.058 256 S CB 0.934 64.233 63.200 0.164 0.000 0.899 256 S HN 0.302 nan 8.310 nan 0.000 0.493 257 V N 4.437 124.284 119.914 -0.111 0.000 2.453 257 V HA -0.159 3.962 4.120 0.002 0.000 0.252 257 V C 1.512 177.542 176.094 -0.106 0.000 1.068 257 V CA 1.537 63.744 62.300 -0.156 0.000 1.070 257 V CB -1.676 29.965 31.823 -0.303 0.000 0.664 257 V HN 0.951 nan 8.190 nan 0.000 0.461 258 Y N -0.862 119.484 120.300 0.077 0.000 2.509 258 Y HA 0.182 4.734 4.550 0.003 0.000 0.293 258 Y C 2.022 177.988 175.900 0.110 0.000 1.133 258 Y CA 0.808 58.957 58.100 0.081 0.000 1.283 258 Y CB -0.545 37.903 38.460 -0.022 0.000 1.001 258 Y HN 0.285 nan 8.280 nan 0.000 0.555 259 F N -0.111 120.001 119.950 0.270 0.000 2.727 259 F HA 0.139 4.666 4.527 0.000 0.000 0.302 259 F C 1.667 177.493 175.800 0.044 0.000 1.097 259 F CA 0.073 58.159 58.000 0.143 0.000 1.330 259 F CB 0.021 39.111 39.000 0.149 0.000 1.084 259 F HN 0.046 nan 8.300 nan 0.000 0.578 260 R N -0.720 119.903 120.500 0.204 0.000 2.373 260 R HA 0.656 4.998 4.340 0.002 0.000 0.221 260 R C 0.193 176.510 176.300 0.029 0.000 0.893 260 R CA 0.340 56.502 56.100 0.103 0.000 1.049 260 R CB 0.429 30.785 30.300 0.094 0.000 1.119 260 R HN -0.013 nan 8.270 nan 0.000 0.535 261 A N 0.925 123.761 122.820 0.028 0.000 2.459 261 A HA 0.352 4.673 4.320 0.002 0.000 0.296 261 A C -0.827 176.759 177.584 0.003 0.000 1.039 261 A CA -0.798 51.188 52.037 -0.084 0.000 0.698 261 A CB 1.699 20.614 19.000 -0.140 0.000 1.261 261 A HN -0.010 nan 8.150 nan 0.000 0.405 262 D N 1.307 121.676 120.400 -0.053 0.000 2.234 262 D HA 0.303 4.945 4.640 0.002 0.000 0.205 262 D C 1.198 177.537 176.300 0.064 0.000 0.962 262 D CA 2.157 56.200 54.000 0.072 0.000 0.855 262 D CB 0.104 40.926 40.800 0.038 0.000 0.951 262 D HN 1.541 nan 8.370 nan 0.000 0.500 263 G N 0.788 109.550 108.800 -0.063 0.000 2.730 263 G HA2 -0.241 3.720 3.960 0.002 0.000 0.686 263 G HA3 -0.241 3.720 3.960 0.002 0.000 0.686 263 G C 0.454 175.337 174.900 -0.027 0.000 1.343 263 G CA -0.179 44.944 45.100 0.038 0.000 0.826 263 G HN 0.110 nan 8.290 nan 0.000 0.582 264 E N 0.428 120.664 120.200 0.060 0.000 2.047 264 E HA -0.034 4.317 4.350 0.002 0.000 0.191 264 E C 1.322 177.844 176.600 -0.129 0.000 0.987 264 E CA 1.671 58.077 56.400 0.011 0.000 0.799 264 E CB 0.030 29.772 29.700 0.070 0.000 0.752 264 E HN 0.757 nan 8.360 nan 0.000 0.449 265 E N -0.268 119.757 120.200 -0.292 0.000 2.235 265 E HA 0.382 4.733 4.350 0.002 0.000 0.265 265 E C -1.018 175.200 176.600 -0.637 0.000 0.940 265 E CA -0.847 55.295 56.400 -0.430 0.000 0.819 265 E CB 1.486 30.931 29.700 -0.426 0.000 1.206 265 E HN -0.083 nan 8.360 nan 0.000 0.409 266 C N 2.148 121.114 119.300 -0.557 0.000 2.482 266 C HA 0.295 4.756 4.460 0.002 0.000 0.378 266 C C -0.683 174.024 174.990 -0.472 0.000 1.284 266 C CA -0.542 58.062 59.018 -0.689 0.000 1.826 266 C CB -1.722 25.339 27.740 -1.132 0.000 2.473 266 C HN 0.455 nan 8.230 nan 0.000 0.562 267 F N 2.299 122.187 119.950 -0.103 0.000 2.313 267 F HA 0.373 4.901 4.527 0.002 0.000 0.369 267 F C 1.353 177.236 175.800 0.139 0.000 1.109 267 F CA -0.861 57.132 58.000 -0.013 0.000 1.132 267 F CB 0.694 39.715 39.000 0.036 0.000 1.291 267 F HN 0.786 nan 8.300 nan 0.000 0.496 268 G N 1.704 110.672 108.800 0.280 0.000 2.625 268 G HA2 -0.085 3.876 3.960 0.002 0.000 0.214 268 G HA3 -0.085 3.876 3.960 0.002 0.000 0.214 268 G C 1.592 176.646 174.900 0.258 0.000 1.132 268 G CA 0.708 45.999 45.100 0.318 0.000 0.782 268 G HN 0.831 nan 8.290 nan 0.000 0.538 269 G N -0.069 108.860 108.800 0.215 0.000 2.551 269 G HA2 0.142 4.103 3.960 0.002 0.000 0.216 269 G HA3 0.142 4.103 3.960 0.002 0.000 0.216 269 G C 1.353 176.364 174.900 0.186 0.000 1.137 269 G CA 1.047 46.265 45.100 0.196 0.000 0.798 269 G HN 0.663 nan 8.290 nan 0.000 0.536 270 Q N -2.200 117.696 119.800 0.160 0.000 1.907 270 Q HA 0.182 4.523 4.340 0.002 0.000 0.195 270 Q C 1.608 177.557 176.000 -0.085 0.000 0.742 270 Q CA 0.600 56.412 55.803 0.015 0.000 0.877 270 Q CB -0.057 28.653 28.738 -0.047 0.000 1.216 270 Q HN 0.142 nan 8.270 nan 0.000 0.417 271 G N 0.906 109.760 108.800 0.091 0.000 3.042 271 G HA2 0.305 4.266 3.960 0.002 0.000 0.212 271 G HA3 0.305 4.266 3.960 0.002 0.000 0.212 271 G C 0.226 174.992 174.900 -0.224 0.000 1.166 271 G CA 0.138 45.296 45.100 0.096 0.000 0.767 271 G HN 0.083 nan 8.290 nan 0.000 0.546 272 V N 1.180 120.814 119.914 -0.468 0.000 2.546 272 V HA 0.484 4.605 4.120 0.002 0.000 0.284 272 V C -0.655 175.131 176.094 -0.513 0.000 1.050 272 V CA -0.534 61.432 62.300 -0.558 0.000 0.981 272 V CB 1.053 32.555 31.823 -0.534 0.000 0.990 272 V HN 0.152 nan 8.190 nan 0.000 0.474 273 F N 2.917 122.821 119.950 -0.076 0.000 2.458 273 F HA 0.716 5.243 4.527 -0.000 0.000 0.336 273 F C 0.479 176.316 175.800 0.063 0.000 1.114 273 F CA 0.004 58.026 58.000 0.037 0.000 0.987 273 F CB 1.970 41.027 39.000 0.095 0.000 1.130 273 F HN 0.494 nan 8.300 nan 0.000 0.458 274 S N 0.560 116.424 115.700 0.272 0.000 2.643 274 S HA 0.596 5.067 4.470 0.002 0.000 0.270 274 S C -0.980 173.747 174.600 0.212 0.000 1.166 274 S CA -0.778 57.551 58.200 0.215 0.000 0.815 274 S CB 1.209 64.523 63.200 0.190 0.000 1.139 274 S HN 0.695 nan 8.310 nan 0.000 0.472 275 S N 1.411 117.175 115.700 0.107 0.000 2.632 275 S HA 0.518 4.989 4.470 0.002 0.000 0.271 275 S C -2.154 172.328 174.600 -0.196 0.000 1.260 275 S CA -0.974 57.227 58.200 0.002 0.000 1.010 275 S CB 0.773 63.961 63.200 -0.020 0.000 0.965 275 S HN 0.479 nan 8.310 nan 0.000 0.534 276 P HA 0.000 nan 4.420 nan 0.000 0.215 276 P C 1.750 178.830 177.300 -0.366 0.000 1.153 276 P CA 1.686 64.220 63.100 -0.943 0.000 0.853 276 P CB -0.549 30.661 31.700 -0.817 0.000 0.788 277 G N -0.452 108.217 108.800 -0.217 0.000 2.476 277 G HA2 -0.274 3.688 3.960 0.002 0.000 0.218 277 G HA3 -0.274 3.688 3.960 0.002 0.000 0.218 277 G C 1.731 176.595 174.900 -0.060 0.000 1.164 277 G CA 1.202 46.232 45.100 -0.117 0.000 0.768 277 G HN 0.219 nan 8.290 nan 0.000 0.560 278 S N -0.563 115.116 115.700 -0.034 0.000 2.383 278 S HA -0.071 4.401 4.470 0.002 0.000 0.227 278 S C 1.968 176.584 174.600 0.026 0.000 1.026 278 S CA 0.912 59.113 58.200 0.003 0.000 0.981 278 S CB -0.382 62.832 63.200 0.025 0.000 0.818 278 S HN 0.472 nan 8.310 nan 0.000 0.472 279 Y N 1.700 121.961 120.300 -0.065 0.000 2.181 279 Y HA -0.170 4.384 4.550 0.006 0.000 0.288 279 Y C 2.401 178.296 175.900 -0.007 0.000 1.146 279 Y CA 1.740 59.832 58.100 -0.015 0.000 1.164 279 Y CB -0.350 38.154 38.460 0.072 0.000 0.982 279 Y HN 0.210 nan 8.280 nan 0.000 0.515 280 M N 0.742 120.392 119.600 0.084 0.000 2.213 280 M HA -0.196 4.286 4.480 0.002 0.000 0.263 280 M C 1.760 178.074 176.300 0.022 0.000 1.062 280 M CA 1.752 57.088 55.300 0.060 0.000 1.105 280 M CB -0.433 32.190 32.600 0.037 0.000 1.385 280 M HN 0.081 nan 8.290 nan 0.000 0.417 281 K N -0.947 119.451 120.400 -0.003 0.000 2.103 281 K HA -0.121 4.201 4.320 0.002 0.000 0.207 281 K C 1.814 178.401 176.600 -0.021 0.000 1.048 281 K CA 1.562 57.860 56.287 0.019 0.000 0.930 281 K CB -0.415 32.085 32.500 0.001 0.000 0.716 281 K HN 0.286 nan 8.250 nan 0.000 0.444 282 V N 1.831 121.668 119.914 -0.129 0.000 2.270 282 V HA -0.236 3.885 4.120 0.002 0.000 0.245 282 V C 2.220 178.213 176.094 -0.169 0.000 1.043 282 V CA 1.576 63.752 62.300 -0.206 0.000 1.014 282 V CB -0.446 31.134 31.823 -0.405 0.000 0.645 282 V HN 0.260 nan 8.190 nan 0.000 0.447 283 L N -0.559 120.560 121.223 -0.172 0.000 2.012 283 L HA -0.253 4.089 4.340 0.002 0.000 0.210 283 L C 2.610 179.538 176.870 0.096 0.000 1.073 283 L CA 2.272 57.091 54.840 -0.035 0.000 0.748 283 L CB -0.970 41.134 42.059 0.075 0.000 0.891 283 L HN 0.473 nan 8.230 nan 0.000 0.431 284 H N -0.815 118.254 119.070 -0.003 0.000 2.353 284 H HA -0.183 4.363 4.556 -0.018 0.000 0.300 284 H C 2.555 177.884 175.328 0.002 0.000 1.090 284 H CA 1.451 57.507 56.048 0.014 0.000 1.327 284 H CB 0.408 30.175 29.762 0.007 0.000 1.383 284 H HN 0.268 nan 8.280 nan 0.000 0.508 285 S N 0.103 115.768 115.700 -0.058 0.000 2.368 285 S HA -0.106 4.365 4.470 0.002 0.000 0.225 285 S C 2.337 176.893 174.600 -0.073 0.000 1.030 285 S CA 1.001 59.135 58.200 -0.111 0.000 0.999 285 S CB -0.277 62.884 63.200 -0.065 0.000 0.844 285 S HN 0.407 nan 8.310 nan 0.000 0.459 286 L N 0.576 121.787 121.223 -0.020 0.000 2.056 286 L HA -0.058 4.284 4.340 0.002 0.000 0.207 286 L C 2.536 179.432 176.870 0.042 0.000 1.078 286 L CA 1.031 55.895 54.840 0.039 0.000 0.749 286 L CB -0.597 41.516 42.059 0.090 0.000 0.901 286 L HN 0.354 nan 8.230 nan 0.000 0.433 287 L N 0.209 121.459 121.223 0.045 0.000 2.012 287 L HA -0.222 4.119 4.340 0.002 0.000 0.210 287 L C 2.430 179.268 176.870 -0.053 0.000 1.073 287 L CA 1.872 56.727 54.840 0.024 0.000 0.748 287 L CB -0.467 41.648 42.059 0.094 0.000 0.891 287 L HN 0.087 nan 8.230 nan 0.000 0.431 288 K N 0.235 120.560 120.400 -0.125 0.000 2.365 288 K HA -0.062 4.260 4.320 0.002 0.000 0.199 288 K C 0.092 176.633 176.600 -0.098 0.000 1.045 288 K CA 0.596 56.792 56.287 -0.151 0.000 0.962 288 K CB -0.094 32.242 32.500 -0.274 0.000 0.759 288 K HN 0.427 nan 8.250 nan 0.000 0.469 289 R N 0.911 121.367 120.500 -0.074 0.000 3.225 289 R HA -0.166 4.175 4.340 0.002 0.000 0.245 289 R C -0.762 175.508 176.300 -0.051 0.000 0.928 289 R CA 1.243 57.314 56.100 -0.049 0.000 0.632 289 R CB -2.608 27.665 30.300 -0.046 0.000 1.038 289 R HN 0.301 nan 8.270 nan 0.000 0.461 290 D N -0.407 119.955 120.400 -0.064 0.000 2.340 290 D HA 0.134 4.775 4.640 0.002 0.000 0.220 290 D C 1.396 177.672 176.300 -0.039 0.000 1.039 290 D CA 0.428 54.393 54.000 -0.059 0.000 0.866 290 D CB 0.067 40.818 40.800 -0.082 0.000 0.913 290 D HN 0.662 nan 8.370 nan 0.000 0.523 291 G N 0.194 108.977 108.800 -0.029 0.000 2.168 291 G HA2 -0.350 3.611 3.960 0.002 0.000 0.263 291 G HA3 -0.350 3.611 3.960 0.002 0.000 0.263 291 G C 0.876 175.765 174.900 -0.018 0.000 0.977 291 G CA 0.656 45.746 45.100 -0.018 0.000 0.659 291 G HN 0.357 nan 8.290 nan 0.000 0.533 292 L N -0.610 120.598 121.223 -0.026 0.000 2.156 292 L HA 0.255 4.596 4.340 0.002 0.000 0.208 292 L C 2.812 179.670 176.870 -0.020 0.000 1.095 292 L CA 1.831 56.656 54.840 -0.025 0.000 0.770 292 L CB -0.359 41.681 42.059 -0.032 0.000 0.914 292 L HN 0.456 nan 8.230 nan 0.000 0.439 293 L N -2.618 118.595 121.223 -0.016 0.000 2.445 293 L HA 0.229 4.570 4.340 0.002 0.000 0.207 293 L C 0.213 177.089 176.870 0.011 0.000 1.053 293 L CA 0.156 54.992 54.840 -0.006 0.000 0.841 293 L CB 0.374 42.425 42.059 -0.014 0.000 1.074 293 L HN -0.029 nan 8.230 nan 0.000 0.479 294 L N -0.799 120.431 121.223 0.011 0.000 2.469 294 L HA 0.346 4.688 4.340 0.002 0.000 0.256 294 L C -0.863 176.017 176.870 0.016 0.000 1.006 294 L CA -0.723 54.130 54.840 0.023 0.000 0.832 294 L CB 2.506 44.585 42.059 0.033 0.000 1.421 294 L HN -0.032 nan 8.230 nan 0.000 0.410 295 Q N 1.902 121.713 119.800 0.019 0.000 2.364 295 Q HA 0.077 4.418 4.340 0.002 0.000 0.267 295 Q C -1.657 174.353 176.000 0.017 0.000 0.999 295 Q CA -1.353 54.458 55.803 0.014 0.000 0.886 295 Q CB 0.735 29.482 28.738 0.014 0.000 1.243 295 Q HN 0.264 nan 8.270 nan 0.000 0.415 296 P HA -0.309 nan 4.420 nan 0.000 0.216 296 P C 1.146 178.457 177.300 0.018 0.000 1.154 296 P CA 1.473 64.577 63.100 0.006 0.000 0.865 296 P CB 0.100 31.795 31.700 -0.008 0.000 0.789 297 Q N -1.193 118.617 119.800 0.017 0.000 2.224 297 Q HA -0.100 4.242 4.340 0.002 0.000 0.203 297 Q C 1.443 177.468 176.000 0.041 0.000 0.970 297 Q CA 1.891 57.709 55.803 0.024 0.000 0.865 297 Q CB -1.838 26.910 28.738 0.018 0.000 0.922 297 Q HN 0.194 nan 8.270 nan 0.000 0.445 298 T N 1.405 115.984 114.554 0.042 0.000 2.857 298 T HA -0.007 4.345 4.350 0.002 0.000 0.266 298 T C 2.145 176.894 174.700 0.081 0.000 1.048 298 T CA 1.139 63.270 62.100 0.052 0.000 1.139 298 T CB -0.167 68.727 68.868 0.043 0.000 0.874 298 T HN 0.104 nan 8.240 nan 0.000 0.455 299 V N 2.421 122.391 119.914 0.093 0.000 2.332 299 V HA -0.192 3.929 4.120 0.002 0.000 0.248 299 V C 2.337 178.585 176.094 0.258 0.000 1.055 299 V CA 1.727 64.127 62.300 0.166 0.000 1.038 299 V CB -0.634 31.275 31.823 0.143 0.000 0.651 299 V HN 0.408 nan 8.190 nan 0.000 0.450 300 D N -0.082 120.409 120.400 0.152 0.000 2.149 300 D HA -0.173 4.468 4.640 0.002 0.000 0.198 300 D C 1.949 178.364 176.300 0.192 0.000 0.990 300 D CA 1.088 55.175 54.000 0.145 0.000 0.839 300 D CB -0.341 40.491 40.800 0.053 0.000 0.948 300 D HN 0.348 nan 8.370 nan 0.000 0.460 301 L N 0.353 121.658 121.223 0.137 0.000 2.127 301 L HA -0.111 4.230 4.340 0.002 0.000 0.211 301 L C 2.152 179.089 176.870 0.112 0.000 1.089 301 L CA 1.398 56.301 54.840 0.105 0.000 0.757 301 L CB -0.437 41.663 42.059 0.069 0.000 0.899 301 L HN 0.004 nan 8.230 nan 0.000 0.434 302 M N -2.043 117.635 119.600 0.130 0.000 2.213 302 M HA -0.191 4.290 4.480 0.002 0.000 0.263 302 M C 1.535 177.780 176.300 -0.092 0.000 1.062 302 M CA 1.701 57.003 55.300 0.003 0.000 1.105 302 M CB -0.315 32.244 32.600 -0.068 0.000 1.385 302 M HN 0.148 nan 8.290 nan 0.000 0.417 303 F N -0.196 119.773 119.950 0.031 0.000 2.797 303 F HA 0.067 4.593 4.527 -0.001 0.000 0.302 303 F C 0.804 176.613 175.800 0.015 0.000 1.130 303 F CA -0.195 57.820 58.000 0.025 0.000 1.387 303 F CB 0.095 39.115 39.000 0.033 0.000 1.107 303 F HN 0.034 nan 8.300 nan 0.000 0.577 304 Q N 1.341 121.232 119.800 0.152 0.000 2.256 304 Q HA 0.266 4.608 4.340 0.002 0.000 0.254 304 Q C -2.391 173.650 176.000 0.068 0.000 0.916 304 Q CA -2.659 53.204 55.803 0.101 0.000 0.932 304 Q CB 0.469 29.258 28.738 0.084 0.000 1.207 304 Q HN -0.034 nan 8.270 nan 0.000 0.426 305 P HA -0.031 nan 4.420 nan 0.000 0.258 305 P C -0.202 177.139 177.300 0.069 0.000 1.187 305 P CA 0.424 63.558 63.100 0.056 0.000 0.767 305 P CB 0.490 32.217 31.700 0.045 0.000 0.770 306 A N 4.698 127.576 122.820 0.097 0.000 2.195 306 A HA 0.116 4.437 4.320 0.002 0.000 0.210 306 A C 0.709 178.353 177.584 0.101 0.000 1.165 306 A CA 0.398 52.496 52.037 0.102 0.000 0.806 306 A CB -0.281 18.802 19.000 0.139 0.000 0.847 306 A HN 0.454 nan 8.150 nan 0.000 0.482 307 L N 1.136 122.424 121.223 0.109 0.000 2.307 307 L HA 0.293 4.635 4.340 0.002 0.000 0.282 307 L C 0.105 177.017 176.870 0.070 0.000 1.051 307 L CA -0.581 54.322 54.840 0.104 0.000 0.804 307 L CB 1.178 43.307 42.059 0.116 0.000 1.197 307 L HN 0.283 nan 8.230 nan 0.000 0.431 308 E N 3.370 123.608 120.200 0.064 0.000 2.409 308 E HA 0.033 4.384 4.350 0.002 0.000 0.257 308 E C -1.578 175.048 176.600 0.044 0.000 1.150 308 E CA -1.481 54.947 56.400 0.048 0.000 0.942 308 E CB 0.582 30.308 29.700 0.043 0.000 0.979 308 E HN 0.381 nan 8.360 nan 0.000 0.447 309 P HA -0.238 nan 4.420 nan 0.000 0.216 309 P C 1.270 178.590 177.300 0.032 0.000 1.157 309 P CA 1.483 64.601 63.100 0.030 0.000 0.880 309 P CB 0.089 31.803 31.700 0.024 0.000 0.791 310 R N -0.339 120.182 120.500 0.034 0.000 2.083 310 R HA -0.126 4.215 4.340 0.002 0.000 0.237 310 R C 2.242 178.571 176.300 0.047 0.000 1.137 310 R CA 1.440 57.562 56.100 0.036 0.000 0.951 310 R CB -0.859 29.461 30.300 0.034 0.000 0.851 310 R HN 0.180 nan 8.270 nan 0.000 0.434 311 L N 0.196 121.454 121.223 0.059 0.000 2.109 311 L HA -0.112 4.230 4.340 0.002 0.000 0.207 311 L C 2.619 179.530 176.870 0.068 0.000 1.086 311 L CA 1.303 56.192 54.840 0.081 0.000 0.760 311 L CB -0.514 41.609 42.059 0.107 0.000 0.910 311 L HN 0.398 nan 8.230 nan 0.000 0.437 312 E N 0.869 121.099 120.200 0.050 0.000 2.085 312 E HA -0.307 4.044 4.350 0.002 0.000 0.194 312 E C 1.946 178.552 176.600 0.010 0.000 0.994 312 E CA 1.875 58.288 56.400 0.022 0.000 0.801 312 E CB 0.137 29.851 29.700 0.023 0.000 0.743 312 E HN 0.607 nan 8.360 nan 0.000 0.453 313 E N 0.465 120.679 120.200 0.024 0.000 2.107 313 E HA -0.232 4.119 4.350 0.002 0.000 0.191 313 E C 2.159 178.780 176.600 0.036 0.000 0.982 313 E CA 1.225 57.639 56.400 0.023 0.000 0.809 313 E CB -0.390 29.325 29.700 0.025 0.000 0.756 313 E HN 0.188 nan 8.360 nan 0.000 0.459 314 Q N 0.552 120.383 119.800 0.052 0.000 2.119 314 Q HA -0.173 4.168 4.340 0.002 0.000 0.201 314 Q C 2.152 178.212 176.000 0.100 0.000 0.972 314 Q CA 1.781 57.632 55.803 0.080 0.000 0.847 314 Q CB -0.216 28.574 28.738 0.087 0.000 0.903 314 Q HN 0.548 nan 8.270 nan 0.000 0.433 315 M N 0.349 119.979 119.600 0.052 0.000 2.099 315 M HA -0.172 4.309 4.480 0.002 0.000 0.262 315 M C 1.559 177.829 176.300 -0.050 0.000 1.067 315 M CA 1.500 56.772 55.300 -0.046 0.000 1.124 315 M CB -0.165 32.257 32.600 -0.297 0.000 1.353 315 M HN 0.166 nan 8.290 nan 0.000 0.410 316 N N 0.400 119.073 118.700 -0.045 0.000 2.120 316 N HA -0.228 4.514 4.740 0.002 0.000 0.188 316 N C 1.702 177.220 175.510 0.013 0.000 1.024 316 N CA 1.350 54.382 53.050 -0.031 0.000 0.852 316 N CB -0.608 37.864 38.487 -0.026 0.000 1.003 316 N HN 0.535 nan 8.380 nan 0.000 0.424 317 Q N 1.190 121.018 119.800 0.046 0.000 2.061 317 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 317 Q C 1.917 177.977 176.000 0.099 0.000 0.984 317 Q CA 1.736 57.579 55.803 0.067 0.000 0.846 317 Q CB -0.547 28.238 28.738 0.079 0.000 0.902 317 Q HN 0.531 nan 8.270 nan 0.000 0.421 318 H N 0.016 119.127 119.070 0.068 0.000 2.321 318 H HA -0.030 4.527 4.556 0.002 0.000 0.300 318 H C 2.123 177.536 175.328 0.143 0.000 1.087 318 H CA 2.471 58.594 56.048 0.125 0.000 1.319 318 H CB -0.186 29.682 29.762 0.176 0.000 1.379 318 H HN 0.217 nan 8.280 nan 0.000 0.501 319 M N -0.155 119.429 119.600 -0.027 0.000 2.156 319 M HA -0.116 4.365 4.480 0.002 0.000 0.264 319 M C 1.594 177.868 176.300 -0.043 0.000 1.067 319 M CA 1.520 56.798 55.300 -0.038 0.000 1.131 319 M CB 0.014 32.614 32.600 -0.000 0.000 1.368 319 M HN 0.275 nan 8.290 nan 0.000 0.416 320 D N 0.880 121.266 120.400 -0.023 0.000 2.149 320 D HA -0.101 4.540 4.640 0.002 0.000 0.198 320 D C 1.712 178.006 176.300 -0.011 0.000 0.990 320 D CA 1.487 55.480 54.000 -0.012 0.000 0.839 320 D CB -0.132 40.666 40.800 -0.002 0.000 0.948 320 D HN 0.338 nan 8.370 nan 0.000 0.460 321 A N -0.339 122.472 122.820 -0.015 0.000 2.238 321 A HA 0.116 4.437 4.320 0.002 0.000 0.208 321 A C 1.081 178.678 177.584 0.021 0.000 1.177 321 A CA 0.195 52.234 52.037 0.004 0.000 0.804 321 A CB 0.313 19.328 19.000 0.027 0.000 0.823 321 A HN 0.021 nan 8.150 nan 0.000 0.482 322 S N 0.732 116.421 115.700 -0.019 0.000 2.422 322 S HA 0.240 4.711 4.470 0.002 0.000 0.226 322 S C -2.056 172.550 174.600 0.010 0.000 1.242 322 S CA -0.653 57.575 58.200 0.047 0.000 1.231 322 S CB 0.674 63.731 63.200 -0.239 0.000 1.067 322 S HN 0.428 nan 8.310 nan 0.000 0.462 323 P HA -0.144 nan 4.420 nan 0.000 0.226 323 P C 1.241 178.557 177.300 0.027 0.000 1.153 323 P CA 0.994 64.104 63.100 0.016 0.000 0.777 323 P CB -0.212 31.498 31.700 0.016 0.000 0.794 324 H N -0.580 118.450 119.070 -0.067 0.000 2.495 324 H HA 0.085 4.642 4.556 0.003 0.000 0.287 324 H C 1.713 177.013 175.328 -0.046 0.000 1.033 324 H CA 0.562 56.578 56.048 -0.053 0.000 1.307 324 H CB -1.068 28.677 29.762 -0.029 0.000 1.401 324 H HN 0.185 nan 8.280 nan 0.000 0.555 325 I N 0.436 120.633 120.570 -0.622 0.000 2.499 325 I HA -0.095 4.076 4.170 0.002 0.000 0.243 325 I C 0.366 176.320 176.117 -0.273 0.000 1.085 325 I CA 0.514 61.504 61.300 -0.517 0.000 1.422 325 I CB -0.232 37.311 38.000 -0.762 0.000 1.165 325 I HN 0.118 nan 8.210 nan 0.000 0.440 326 N N 0.582 119.109 118.700 -0.289 0.000 2.608 326 N HA -0.250 4.491 4.740 0.002 0.000 0.273 326 N C 0.188 175.740 175.510 0.070 0.000 1.133 326 N CA 0.351 53.350 53.050 -0.084 0.000 0.726 326 N CB -1.225 37.219 38.487 -0.071 0.000 0.890 326 N HN 0.341 nan 8.380 nan 0.000 0.548 327 Y N -0.923 119.386 120.300 0.013 0.000 2.274 327 Y HA -0.007 4.544 4.550 0.002 0.000 0.290 327 Y C 2.349 178.157 175.900 -0.153 0.000 1.145 327 Y CA 1.345 59.333 58.100 -0.186 0.000 1.203 327 Y CB -0.110 38.222 38.460 -0.213 0.000 0.984 327 Y HN 0.490 nan 8.280 nan 0.000 0.533 328 G N -0.776 108.081 108.800 0.095 0.000 2.920 328 G HA2 0.313 4.274 3.960 0.002 0.000 0.208 328 G HA3 0.313 4.274 3.960 0.002 0.000 0.208 328 G C 1.434 176.352 174.900 0.030 0.000 1.159 328 G CA 0.468 45.578 45.100 0.016 0.000 0.784 328 G HN 0.660 nan 8.290 nan 0.000 0.535 329 G N 1.389 110.243 108.800 0.089 0.000 2.646 329 G HA2 -0.345 3.617 3.960 0.002 0.000 0.324 329 G HA3 -0.345 3.617 3.960 0.002 0.000 0.324 329 G C -0.325 174.528 174.900 -0.079 0.000 1.195 329 G CA 0.720 45.780 45.100 -0.067 0.000 0.976 329 G HN 0.334 nan 8.290 nan 0.000 0.546 330 P HA 0.082 nan 4.420 nan 0.000 0.233 330 P C 1.231 178.646 177.300 0.193 0.000 1.167 330 P CA 0.828 63.980 63.100 0.086 0.000 0.770 330 P CB -0.037 31.773 31.700 0.183 0.000 0.837 331 M N 0.527 120.163 119.600 0.059 0.000 2.250 331 M HA 0.139 4.621 4.480 0.002 0.000 0.325 331 M C -1.923 174.398 176.300 0.035 0.000 1.084 331 M CA -1.287 53.984 55.300 -0.048 0.000 1.161 331 M CB -0.821 31.688 32.600 -0.151 0.000 1.481 331 M HN -0.243 nan 8.290 nan 0.000 0.449 332 P HA -0.038 nan 4.420 nan 0.000 0.265 332 P C 0.395 177.700 177.300 0.009 0.000 1.187 332 P CA 0.171 63.306 63.100 0.059 0.000 0.766 332 P CB 0.394 32.125 31.700 0.052 0.000 0.820 333 M N 1.121 120.727 119.600 0.011 0.000 2.394 333 M HA -0.007 4.475 4.480 0.002 0.000 0.264 333 M C 0.295 176.590 176.300 -0.008 0.000 1.073 333 M CA 1.141 56.438 55.300 -0.004 0.000 1.111 333 M CB -0.575 32.021 32.600 -0.007 0.000 1.401 333 M HN 0.028 nan 8.290 nan 0.000 0.448 334 V N 1.762 121.672 119.914 -0.006 0.000 2.378 334 V HA 0.574 4.695 4.120 0.002 0.000 0.288 334 V C -0.684 175.400 176.094 -0.018 0.000 1.016 334 V CA -0.756 61.538 62.300 -0.010 0.000 0.840 334 V CB 1.811 33.631 31.823 -0.005 0.000 0.994 334 V HN 0.214 nan 8.190 nan 0.000 0.431 335 L N 4.403 125.608 121.223 -0.029 0.000 2.545 335 L HA 0.655 4.997 4.340 0.002 0.000 0.258 335 L C -0.687 176.157 176.870 -0.043 0.000 0.942 335 L CA -0.634 54.180 54.840 -0.043 0.000 0.855 335 L CB 2.225 44.243 42.059 -0.067 0.000 1.374 335 L HN 0.632 nan 8.230 nan 0.000 0.411 336 R N 3.195 123.671 120.500 -0.040 0.000 2.248 336 R HA 0.627 4.968 4.340 0.002 0.000 0.328 336 R C -0.911 175.361 176.300 -0.048 0.000 1.067 336 R CA 0.174 56.252 56.100 -0.036 0.000 0.924 336 R CB 0.289 30.574 30.300 -0.025 0.000 1.013 336 R HN 0.655 nan 8.270 nan 0.000 0.454 337 R N 1.836 122.304 120.500 -0.054 0.000 2.888 337 R HA 0.610 4.952 4.340 0.002 0.000 0.266 337 R C -0.760 175.508 176.300 -0.054 0.000 1.020 337 R CA -1.002 55.059 56.100 -0.065 0.000 0.963 337 R CB 2.123 32.369 30.300 -0.090 0.000 1.197 337 R HN 0.591 nan 8.270 nan 0.000 0.481 338 S N -0.230 115.443 115.700 -0.044 0.000 2.851 338 S HA 0.655 5.126 4.470 0.002 0.000 0.317 338 S C -1.770 172.844 174.600 0.022 0.000 1.144 338 S CA -0.634 57.561 58.200 -0.009 0.000 0.862 338 S CB 1.075 64.287 63.200 0.020 0.000 1.259 338 S HN 0.371 nan 8.310 nan 0.000 0.564 339 F N 0.593 120.508 119.950 -0.058 0.000 2.520 339 F HA 0.702 5.231 4.527 0.003 0.000 0.322 339 F C 0.634 176.460 175.800 0.043 0.000 1.103 339 F CA -0.036 57.966 58.000 0.004 0.000 0.926 339 F CB 1.668 40.726 39.000 0.097 0.000 1.154 339 F HN 0.704 nan 8.300 nan 0.000 0.453 340 G N 3.984 112.660 108.800 -0.206 0.000 2.945 340 G HA2 0.467 4.428 3.960 0.002 0.000 0.156 340 G HA3 0.467 4.428 3.960 0.002 0.000 0.156 340 G C -1.184 173.732 174.900 0.027 0.000 1.375 340 G CA -0.793 44.261 45.100 -0.076 0.000 1.039 340 G HN 0.554 nan 8.290 nan 0.000 0.586 341 L N 0.681 121.891 121.223 -0.021 0.000 2.295 341 L HA 0.567 4.909 4.340 0.002 0.000 0.281 341 L C 0.960 177.816 176.870 -0.024 0.000 1.018 341 L CA 0.264 55.130 54.840 0.043 0.000 0.841 341 L CB 1.191 43.274 42.059 0.040 0.000 1.218 341 L HN 0.978 nan 8.230 nan 0.000 0.424 342 G N 1.881 110.696 108.800 0.026 0.000 2.255 342 G HA2 0.016 3.978 3.960 0.002 0.000 0.196 342 G HA3 0.016 3.978 3.960 0.002 0.000 0.196 342 G C 0.199 175.106 174.900 0.012 0.000 0.998 342 G CA -0.252 44.876 45.100 0.047 0.000 0.656 342 G HN 1.121 nan 8.290 nan 0.000 0.490 343 G N -0.997 107.534 108.800 -0.448 0.000 2.340 343 G HA2 0.535 4.496 3.960 0.002 0.000 0.299 343 G HA3 0.535 4.496 3.960 0.002 0.000 0.299 343 G C -1.167 173.031 174.900 -1.169 0.000 1.291 343 G CA -0.374 44.327 45.100 -0.665 0.000 0.841 343 G HN 0.729 nan 8.290 nan 0.000 0.500 344 I N 0.675 120.924 120.570 -0.534 0.000 2.474 344 I HA 0.378 4.549 4.170 0.002 0.000 0.287 344 I C -0.101 175.860 176.117 -0.260 0.000 1.048 344 I CA -0.305 60.788 61.300 -0.346 0.000 1.383 344 I CB 1.203 39.168 38.000 -0.057 0.000 1.412 344 I HN 0.195 nan 8.210 nan 0.000 0.531 345 I N 5.261 125.716 120.570 -0.192 0.000 2.377 345 I HA 0.404 4.575 4.170 0.002 0.000 0.293 345 I C 0.358 176.431 176.117 -0.074 0.000 0.987 345 I CA -0.540 60.697 61.300 -0.104 0.000 1.185 345 I CB 1.707 39.674 38.000 -0.056 0.000 1.341 345 I HN 0.591 nan 8.210 nan 0.000 0.455 346 A N 6.883 129.666 122.820 -0.062 0.000 2.404 346 A HA 0.418 4.739 4.320 0.002 0.000 0.273 346 A C 0.665 178.224 177.584 -0.041 0.000 1.144 346 A CA -0.208 51.784 52.037 -0.074 0.000 0.806 346 A CB 0.127 19.062 19.000 -0.108 0.000 1.080 346 A HN 0.882 nan 8.150 nan 0.000 0.509 347 L N 1.568 122.767 121.223 -0.040 0.000 2.592 347 L HA 0.168 4.509 4.340 0.002 0.000 0.227 347 L C 0.779 177.635 176.870 -0.022 0.000 1.127 347 L CA 0.402 55.229 54.840 -0.021 0.000 0.884 347 L CB -0.375 41.674 42.059 -0.017 0.000 1.065 347 L HN 0.945 nan 8.230 nan 0.000 0.457 348 E N -2.010 118.168 120.200 -0.038 0.000 2.433 348 E HA 0.258 4.609 4.350 0.002 0.000 0.278 348 E C -1.450 175.116 176.600 -0.057 0.000 0.976 348 E CA -1.013 55.366 56.400 -0.036 0.000 0.793 348 E CB 1.166 30.847 29.700 -0.032 0.000 1.311 348 E HN -0.204 nan 8.360 nan 0.000 0.460 349 D N 1.261 121.634 120.400 -0.044 0.000 2.455 349 D HA 0.034 4.675 4.640 0.002 0.000 0.241 349 D C 0.869 177.118 176.300 -0.085 0.000 1.138 349 D CA -0.044 53.921 54.000 -0.058 0.000 0.877 349 D CB 1.049 41.837 40.800 -0.020 0.000 1.187 349 D HN 0.327 nan 8.370 nan 0.000 0.451 350 L N 1.441 122.566 121.223 -0.163 0.000 2.109 350 L HA -0.070 4.272 4.340 0.002 0.000 0.207 350 L C 0.999 177.881 176.870 0.020 0.000 1.086 350 L CA 1.575 56.300 54.840 -0.191 0.000 0.760 350 L CB -0.213 41.476 42.059 -0.615 0.000 0.910 350 L HN 0.399 nan 8.230 nan 0.000 0.437 351 D N -1.530 118.912 120.400 0.070 0.000 3.118 351 D HA 0.366 5.007 4.640 0.002 0.000 0.259 351 D C 0.693 177.027 176.300 0.055 0.000 1.292 351 D CA 0.585 54.643 54.000 0.097 0.000 0.784 351 D CB -0.184 40.716 40.800 0.167 0.000 1.413 351 D HN 0.183 nan 8.370 nan 0.000 0.583 352 G N 2.096 110.913 108.800 0.029 0.000 2.660 352 G HA2 -0.372 3.589 3.960 0.002 0.000 0.321 352 G HA3 -0.372 3.589 3.960 0.002 0.000 0.321 352 G C 0.736 175.660 174.900 0.041 0.000 1.246 352 G CA 0.656 45.771 45.100 0.025 0.000 1.000 352 G HN 0.462 nan 8.290 nan 0.000 0.550 353 E N 1.299 121.527 120.200 0.047 0.000 2.444 353 E HA 0.174 4.526 4.350 0.002 0.000 0.191 353 E C 1.702 178.360 176.600 0.098 0.000 1.041 353 E CA 0.217 56.659 56.400 0.071 0.000 0.883 353 E CB 0.023 29.755 29.700 0.054 0.000 1.024 353 E HN 0.583 nan 8.360 nan 0.000 0.470 354 N N -0.224 118.526 118.700 0.083 0.000 2.392 354 N HA -0.003 4.739 4.740 0.002 0.000 0.177 354 N C 0.076 175.673 175.510 0.144 0.000 1.066 354 N CA 0.182 53.276 53.050 0.074 0.000 0.895 354 N CB 0.360 38.833 38.487 -0.023 0.000 0.988 354 N HN 0.103 nan 8.380 nan 0.000 0.457 355 W N 0.908 122.105 121.300 -0.172 0.000 3.265 355 W HA 0.403 5.064 4.660 0.000 0.000 0.413 355 W C -0.981 175.158 176.519 -0.634 0.000 1.047 355 W CA -1.195 55.818 57.345 -0.552 0.000 1.210 355 W CB 0.086 29.368 29.460 -0.298 0.000 1.476 355 W HN -0.411 nan 8.180 nan 0.000 0.624 356 R N 2.525 122.496 120.500 -0.882 0.000 2.640 356 R HA 0.193 4.535 4.340 0.002 0.000 0.270 356 R C 0.172 176.338 176.300 -0.224 0.000 1.024 356 R CA -0.128 55.652 56.100 -0.534 0.000 1.085 356 R CB 0.272 30.185 30.300 -0.646 0.000 0.963 356 R HN 0.051 nan 8.270 nan 0.000 0.426 357 R N 2.079 122.562 120.500 -0.027 0.000 2.596 357 R HA 0.158 4.499 4.340 0.002 0.000 0.267 357 R C 0.002 176.292 176.300 -0.017 0.000 1.026 357 R CA -0.954 55.146 56.100 -0.000 0.000 1.087 357 R CB 0.633 30.972 30.300 0.065 0.000 1.132 357 R HN 0.527 nan 8.270 nan 0.000 0.531 358 K N 0.242 120.633 120.400 -0.014 0.000 2.569 358 K HA -0.114 4.208 4.320 0.002 0.000 0.280 358 K C 0.654 177.271 176.600 0.028 0.000 0.984 358 K CA 1.647 57.931 56.287 -0.004 0.000 1.064 358 K CB 0.000 32.500 32.500 0.001 0.000 0.866 358 K HN 0.775 nan 8.250 nan 0.000 0.492 359 G N 2.020 110.847 108.800 0.046 0.000 2.176 359 G HA2 -0.303 3.658 3.960 0.002 0.000 0.253 359 G HA3 -0.303 3.658 3.960 0.002 0.000 0.253 359 G C -0.062 174.954 174.900 0.194 0.000 0.979 359 G CA 0.367 45.529 45.100 0.104 0.000 0.641 359 G HN 0.933 nan 8.290 nan 0.000 0.530 360 S N -0.163 115.617 115.700 0.133 0.000 2.564 360 S HA 0.696 5.167 4.470 0.002 0.000 0.278 360 S C -0.133 174.555 174.600 0.146 0.000 1.333 360 S CA -0.298 58.013 58.200 0.185 0.000 1.048 360 S CB 2.494 65.748 63.200 0.089 0.000 0.900 360 S HN 1.284 nan 8.310 nan 0.000 0.505 361 L N 1.919 123.264 121.223 0.204 0.000 2.334 361 L HA 0.816 5.157 4.340 0.002 0.000 0.276 361 L C -0.157 176.668 176.870 -0.076 0.000 1.014 361 L CA 0.263 55.092 54.840 -0.018 0.000 0.815 361 L CB 2.177 44.062 42.059 -0.291 0.000 1.268 361 L HN 1.009 nan 8.230 nan 0.000 0.428 362 T N 3.366 117.706 114.554 -0.357 0.000 2.889 362 T HA 0.679 5.031 4.350 0.002 0.000 0.315 362 T C -1.551 172.684 174.700 -0.776 0.000 1.291 362 T CA -0.163 61.497 62.100 -0.732 0.000 1.028 362 T CB 0.653 69.312 68.868 -0.348 0.000 1.235 362 T HN 0.462 nan 8.240 nan 0.000 0.491 363 F N 0.647 119.674 119.950 -1.540 0.000 3.461 363 F HA 0.809 5.337 4.527 0.001 0.000 0.328 363 F C -0.003 175.447 175.800 -0.583 0.000 1.160 363 F CA 0.426 57.997 58.000 -0.715 0.000 0.879 363 F CB 1.276 40.166 39.000 -0.182 0.000 1.559 363 F HN 0.915 nan 8.300 nan 0.000 0.510 364 G N -0.652 107.968 108.800 -0.299 0.000 2.663 364 G HA2 0.561 4.523 3.960 0.002 0.000 0.299 364 G HA3 0.561 4.523 3.960 0.002 0.000 0.299 364 G C -1.730 173.120 174.900 -0.084 0.000 1.372 364 G CA -0.226 44.805 45.100 -0.115 0.000 0.781 364 G HN 1.029 nan 8.290 nan 0.000 0.491 365 G N -1.507 107.246 108.800 -0.078 0.000 2.571 365 G HA2 0.584 4.545 3.960 0.002 0.000 0.304 365 G HA3 0.584 4.545 3.960 0.002 0.000 0.304 365 G C 1.047 175.889 174.900 -0.097 0.000 1.314 365 G CA 0.558 45.584 45.100 -0.123 0.000 0.975 365 G HN 1.466 nan 8.290 nan 0.000 0.485 366 G N 1.623 110.336 108.800 -0.144 0.000 2.759 366 G HA2 -0.231 3.730 3.960 0.002 0.000 0.224 366 G HA3 -0.231 3.730 3.960 0.002 0.000 0.224 366 G C -0.525 174.482 174.900 0.179 0.000 1.173 366 G CA 1.398 46.490 45.100 -0.014 0.000 0.770 366 G HN 0.572 nan 8.290 nan 0.000 0.626 367 P HA 0.141 nan 4.420 nan 0.000 0.269 367 P C -0.116 177.265 177.300 0.135 0.000 1.601 367 P CA -0.141 63.022 63.100 0.104 0.000 0.831 367 P CB -0.581 31.162 31.700 0.071 0.000 1.688 368 N N -0.937 117.892 118.700 0.216 0.000 2.754 368 N HA -0.159 4.582 4.740 0.002 0.000 0.248 368 N C -0.350 175.292 175.510 0.219 0.000 1.093 368 N CA 0.578 53.676 53.050 0.080 0.000 0.699 368 N CB -1.482 36.836 38.487 -0.282 0.000 1.016 368 N HN 0.356 nan 8.380 nan 0.000 0.552 369 I N 0.972 121.672 120.570 0.216 0.000 2.365 369 I HA 0.281 4.452 4.170 0.002 0.000 0.291 369 I C 0.538 176.803 176.117 0.247 0.000 1.004 369 I CA -0.479 60.864 61.300 0.072 0.000 1.311 369 I CB 1.548 39.328 38.000 -0.367 0.000 1.401 369 I HN -0.248 nan 8.210 nan 0.000 0.491 370 V N 6.456 126.551 119.914 0.302 0.000 2.638 370 V HA 0.450 4.572 4.120 0.002 0.000 0.306 370 V C -0.780 175.560 176.094 0.409 0.000 1.052 370 V CA -0.572 61.900 62.300 0.287 0.000 0.885 370 V CB 1.729 33.709 31.823 0.262 0.000 0.999 370 V HN 0.765 nan 8.190 nan 0.000 0.424 371 W N 4.724 126.222 121.300 0.330 0.000 2.781 371 W HA 0.896 5.562 4.660 0.009 0.000 0.345 371 W C -1.116 175.594 176.519 0.317 0.000 1.085 371 W CA -1.025 56.549 57.345 0.383 0.000 1.198 371 W CB 1.902 31.662 29.460 0.500 0.000 1.423 371 W HN 0.681 nan 8.180 nan 0.000 0.532 372 Q N 1.455 121.612 119.800 0.596 0.000 2.391 372 Q HA 0.731 5.072 4.340 0.002 0.000 0.279 372 Q C -2.080 174.239 176.000 0.532 0.000 1.028 372 Q CA -0.768 55.286 55.803 0.419 0.000 0.836 372 Q CB 2.738 31.597 28.738 0.202 0.000 1.414 372 Q HN 0.545 nan 8.270 nan 0.000 0.397 373 I N 1.676 122.555 120.570 0.515 0.000 2.466 373 I HA 0.430 4.601 4.170 0.002 0.000 0.289 373 I C -1.116 175.257 176.117 0.425 0.000 1.026 373 I CA -0.721 60.867 61.300 0.481 0.000 1.078 373 I CB 2.103 40.464 38.000 0.601 0.000 1.249 373 I HN 0.696 nan 8.210 nan 0.000 0.429 374 D N 8.380 128.954 120.400 0.290 0.000 2.432 374 D HA 0.319 4.960 4.640 0.002 0.000 0.265 374 D C -1.966 174.396 176.300 0.103 0.000 1.160 374 D CA -2.075 52.056 54.000 0.217 0.000 0.911 374 D CB 1.788 42.752 40.800 0.274 0.000 1.052 374 D HN 0.114 nan 8.370 nan 0.000 0.508 375 P HA -0.167 nan 4.420 nan 0.000 0.216 375 P C 1.292 178.572 177.300 -0.035 0.000 1.153 375 P CA 1.205 64.245 63.100 -0.100 0.000 0.858 375 P CB 0.491 32.023 31.700 -0.280 0.000 0.789 376 K N 0.093 120.493 120.400 0.001 0.000 2.057 376 K HA -0.074 4.248 4.320 0.002 0.000 0.207 376 K C 1.896 178.522 176.600 0.044 0.000 1.049 376 K CA 1.737 58.037 56.287 0.022 0.000 0.931 376 K CB -1.053 31.470 32.500 0.038 0.000 0.714 376 K HN -0.034 nan 8.250 nan 0.000 0.440 377 A N -0.528 122.339 122.820 0.079 0.000 2.119 377 A HA 0.224 4.546 4.320 0.002 0.000 0.216 377 A C 1.378 178.964 177.584 0.004 0.000 1.152 377 A CA 0.840 52.918 52.037 0.069 0.000 0.708 377 A CB -0.641 18.444 19.000 0.141 0.000 0.805 377 A HN 0.560 nan 8.150 nan 0.000 0.460 378 G N -1.184 107.622 108.800 0.011 0.000 2.198 378 G HA2 -0.198 3.763 3.960 0.002 0.000 0.257 378 G HA3 -0.198 3.763 3.960 0.002 0.000 0.257 378 G C -0.154 174.748 174.900 0.003 0.000 1.042 378 G CA 0.602 45.704 45.100 0.004 0.000 0.791 378 G HN 0.541 nan 8.290 nan 0.000 0.502 379 L N -0.903 120.324 121.223 0.007 0.000 2.371 379 L HA 0.790 5.131 4.340 0.002 0.000 0.262 379 L C 0.625 177.564 176.870 0.115 0.000 1.006 379 L CA -1.014 53.828 54.840 0.004 0.000 0.818 379 L CB 2.434 44.385 42.059 -0.180 0.000 1.354 379 L HN 0.562 nan 8.230 nan 0.000 0.415 380 C N -0.565 118.829 119.300 0.157 0.000 2.712 380 C HA 0.993 5.455 4.460 0.002 0.000 0.308 380 C C -0.018 175.135 174.990 0.272 0.000 1.201 380 C CA -0.509 58.659 59.018 0.250 0.000 1.554 380 C CB 1.135 29.040 27.740 0.274 0.000 2.117 380 C HN 0.925 nan 8.230 nan 0.000 0.480 381 T N 0.506 115.280 114.554 0.367 0.000 2.900 381 T HA 0.775 5.127 4.350 0.002 0.000 0.303 381 T C -1.347 173.688 174.700 0.558 0.000 1.142 381 T CA -0.544 61.826 62.100 0.450 0.000 1.007 381 T CB 1.660 70.755 68.868 0.378 0.000 1.156 381 T HN 1.523 nan 8.240 nan 0.000 0.490 382 L N 1.254 122.849 121.223 0.620 0.000 2.464 382 L HA 0.865 5.206 4.340 0.002 0.000 0.266 382 L C -1.232 175.946 176.870 0.514 0.000 0.965 382 L CA -0.683 54.514 54.840 0.594 0.000 0.833 382 L CB 1.832 44.196 42.059 0.508 0.000 1.296 382 L HN 1.209 nan 8.230 nan 0.000 0.405 383 A N 4.329 127.461 122.820 0.520 0.000 2.311 383 A HA 0.747 5.068 4.320 0.002 0.000 0.306 383 A C -1.632 176.212 177.584 0.433 0.000 1.189 383 A CA -0.217 52.038 52.037 0.363 0.000 0.791 383 A CB 0.381 19.689 19.000 0.514 0.000 1.172 383 A HN 0.491 nan 8.150 nan 0.000 0.481 384 F N 2.361 122.318 119.950 0.012 0.000 2.402 384 F HA 0.701 5.233 4.527 0.008 0.000 0.355 384 F C -0.553 175.186 175.800 -0.101 0.000 1.123 384 F CA -0.633 57.397 58.000 0.048 0.000 1.021 384 F CB 1.182 40.186 39.000 0.008 0.000 1.160 384 F HN 0.534 nan 8.300 nan 0.000 0.451 385 F N 1.842 121.873 119.950 0.135 0.000 2.613 385 F HA 0.515 5.044 4.527 0.004 0.000 0.342 385 F C 0.199 176.054 175.800 0.092 0.000 1.066 385 F CA -0.784 57.292 58.000 0.127 0.000 1.002 385 F CB 1.354 40.403 39.000 0.081 0.000 1.319 385 F HN 0.108 nan 8.300 nan 0.000 0.495 386 Q N 2.246 122.241 119.800 0.324 0.000 2.719 386 Q HA 0.330 4.671 4.340 0.002 0.000 0.376 386 Q C -1.645 174.487 176.000 0.221 0.000 0.856 386 Q CA -0.240 55.712 55.803 0.248 0.000 1.038 386 Q CB 1.591 30.487 28.738 0.264 0.000 1.418 386 Q HN 0.421 nan 8.270 nan 0.000 0.395 387 L N 0.211 121.543 121.223 0.182 0.000 2.438 387 L HA 0.489 4.830 4.340 0.002 0.000 0.270 387 L C -0.690 176.204 176.870 0.041 0.000 0.972 387 L CA -0.058 54.843 54.840 0.101 0.000 0.831 387 L CB 1.754 43.850 42.059 0.063 0.000 1.273 387 L HN 0.065 nan 8.230 nan 0.000 0.405 388 E N 5.415 125.638 120.200 0.037 0.000 2.249 388 E HA 0.558 4.909 4.350 0.002 0.000 0.263 388 E C -2.563 173.940 176.600 -0.161 0.000 0.950 388 E CA -1.946 54.464 56.400 0.017 0.000 0.827 388 E CB 1.732 31.507 29.700 0.125 0.000 1.220 388 E HN 0.415 nan 8.360 nan 0.000 0.411 389 P HA -0.056 nan 4.420 nan 0.000 0.276 389 P C -0.115 177.177 177.300 -0.015 0.000 1.244 389 P CA -0.442 62.648 63.100 -0.017 0.000 0.801 389 P CB 0.661 32.354 31.700 -0.012 0.000 1.006 390 W N 2.898 124.123 121.300 -0.125 0.000 2.345 390 W HA -0.161 4.500 4.660 0.001 0.000 0.346 390 W C 0.524 176.944 176.519 -0.164 0.000 1.243 390 W CA 1.024 58.279 57.345 -0.150 0.000 1.327 390 W CB -0.461 28.907 29.460 -0.153 0.000 1.187 390 W HN 0.669 nan 8.180 nan 0.000 0.588 391 N N 2.633 120.528 118.700 -1.342 0.000 2.776 391 N HA -0.287 4.454 4.740 0.002 0.000 0.249 391 N C -0.938 174.234 175.510 -0.562 0.000 1.111 391 N CA 1.498 53.908 53.050 -1.066 0.000 0.711 391 N CB -1.692 36.338 38.487 -0.761 0.000 1.065 391 N HN 0.533 nan 8.380 nan 0.000 0.556 392 D N -0.547 119.548 120.400 -0.508 0.000 2.417 392 D HA 0.175 4.817 4.640 0.002 0.000 0.250 392 D C -1.166 174.920 176.300 -0.357 0.000 1.166 392 D CA -1.518 52.260 54.000 -0.370 0.000 0.881 392 D CB 0.923 41.509 40.800 -0.356 0.000 1.164 392 D HN 0.119 nan 8.370 nan 0.000 0.467 393 P HA -0.183 nan 4.420 nan 0.000 0.215 393 P C 1.416 178.573 177.300 -0.238 0.000 1.153 393 P CA 0.559 63.521 63.100 -0.230 0.000 0.853 393 P CB 0.187 31.785 31.700 -0.170 0.000 0.788 394 V N -0.589 119.182 119.914 -0.239 0.000 2.295 394 V HA -0.292 3.830 4.120 0.002 0.000 0.246 394 V C 2.555 178.455 176.094 -0.324 0.000 1.049 394 V CA 2.091 64.246 62.300 -0.242 0.000 1.024 394 V CB -1.473 30.229 31.823 -0.202 0.000 0.648 394 V HN 0.205 nan 8.190 nan 0.000 0.447 395 C N -0.525 118.496 119.300 -0.464 0.000 2.446 395 C HA -0.123 4.339 4.460 0.002 0.000 0.277 395 C C 2.900 177.613 174.990 -0.462 0.000 1.275 395 C CA 1.191 59.758 59.018 -0.752 0.000 1.727 395 C CB -1.155 25.876 27.740 -1.181 0.000 2.010 395 C HN 0.552 nan 8.230 nan 0.000 0.486 396 R N 1.174 121.441 120.500 -0.388 0.000 2.083 396 R HA -0.165 4.177 4.340 0.002 0.000 0.237 396 R C 1.657 177.855 176.300 -0.170 0.000 1.137 396 R CA 2.205 58.143 56.100 -0.269 0.000 0.951 396 R CB -0.531 29.596 30.300 -0.289 0.000 0.851 396 R HN 0.457 nan 8.270 nan 0.000 0.434 397 D N 0.688 120.976 120.400 -0.186 0.000 2.097 397 D HA -0.148 4.493 4.640 0.002 0.000 0.195 397 D C 2.081 178.294 176.300 -0.145 0.000 0.989 397 D CA 1.096 55.003 54.000 -0.156 0.000 0.827 397 D CB -0.242 40.465 40.800 -0.156 0.000 0.966 397 D HN 0.267 nan 8.370 nan 0.000 0.456 398 L N 0.575 121.684 121.223 -0.189 0.000 2.046 398 L HA -0.166 4.175 4.340 0.002 0.000 0.208 398 L C 2.500 179.459 176.870 0.148 0.000 1.077 398 L CA 1.193 55.888 54.840 -0.241 0.000 0.747 398 L CB -0.636 41.054 42.059 -0.614 0.000 0.896 398 L HN 0.035 nan 8.230 nan 0.000 0.432 399 T N -0.795 113.897 114.554 0.230 0.000 2.746 399 T HA -0.188 4.163 4.350 0.002 0.000 0.267 399 T C 2.028 176.871 174.700 0.238 0.000 1.039 399 T CA 1.236 63.585 62.100 0.416 0.000 1.142 399 T CB -0.167 68.895 68.868 0.322 0.000 0.866 399 T HN 0.276 nan 8.240 nan 0.000 0.444 400 R N 0.526 121.012 120.500 -0.023 0.000 2.081 400 R HA -0.066 4.275 4.340 0.002 0.000 0.235 400 R C 2.774 178.726 176.300 -0.580 0.000 1.131 400 R CA 1.689 57.545 56.100 -0.407 0.000 0.960 400 R CB -0.656 29.377 30.300 -0.446 0.000 0.856 400 R HN 0.317 nan 8.270 nan 0.000 0.436 401 T N 1.147 115.587 114.554 -0.190 0.000 2.746 401 T HA -0.161 4.190 4.350 0.002 0.000 0.267 401 T C 1.364 176.137 174.700 0.122 0.000 1.039 401 T CA 1.368 63.444 62.100 -0.040 0.000 1.142 401 T CB -0.347 68.545 68.868 0.040 0.000 0.866 401 T HN 0.212 nan 8.240 nan 0.000 0.444 402 F N 2.478 122.528 119.950 0.167 0.000 2.046 402 F HA -0.133 4.394 4.527 -0.001 0.000 0.297 402 F C 2.186 178.072 175.800 0.144 0.000 1.123 402 F CA 1.552 59.684 58.000 0.220 0.000 1.199 402 F CB -0.669 38.532 39.000 0.335 0.000 0.972 402 F HN 0.173 nan 8.300 nan 0.000 0.474 403 E N -0.708 119.257 120.200 -0.391 0.000 2.051 403 E HA -0.250 4.101 4.350 0.002 0.000 0.192 403 E C 2.125 178.663 176.600 -0.103 0.000 0.991 403 E CA 1.729 57.933 56.400 -0.326 0.000 0.799 403 E CB -0.581 29.158 29.700 0.065 0.000 0.748 403 E HN 0.678 nan 8.360 nan 0.000 0.449 404 H N 0.177 119.026 119.070 -0.368 0.000 2.319 404 H HA -0.135 4.423 4.556 0.002 0.000 0.299 404 H C 2.226 177.476 175.328 -0.131 0.000 1.092 404 H CA 0.757 56.578 56.048 -0.379 0.000 1.302 404 H CB -0.012 29.479 29.762 -0.451 0.000 1.373 404 H HN 0.195 nan 8.280 nan 0.000 0.497 405 A N 1.291 124.134 122.820 0.038 0.000 1.877 405 A HA -0.145 4.176 4.320 0.002 0.000 0.216 405 A C 2.320 179.891 177.584 -0.022 0.000 1.186 405 A CA 1.287 53.334 52.037 0.017 0.000 0.620 405 A CB -0.376 18.662 19.000 0.063 0.000 0.822 405 A HN 0.241 nan 8.150 nan 0.000 0.443 406 I N -1.517 119.033 120.570 -0.033 0.000 2.179 406 I HA -0.243 3.928 4.170 0.002 0.000 0.242 406 I C 2.409 178.542 176.117 0.026 0.000 1.088 406 I CA 1.518 62.805 61.300 -0.022 0.000 1.357 406 I CB -1.521 36.390 38.000 -0.148 0.000 1.051 406 I HN 0.430 nan 8.210 nan 0.000 0.409 407 Y N 1.095 121.387 120.300 -0.015 0.000 2.181 407 Y HA -0.210 4.342 4.550 0.004 0.000 0.288 407 Y C 2.688 178.580 175.900 -0.015 0.000 1.146 407 Y CA 1.671 59.796 58.100 0.042 0.000 1.164 407 Y CB -0.453 38.085 38.460 0.129 0.000 0.982 407 Y HN 0.147 nan 8.280 nan 0.000 0.515 408 A N -0.276 122.596 122.820 0.086 0.000 1.902 408 A HA -0.247 4.075 4.320 0.002 0.000 0.217 408 A C 2.035 179.545 177.584 -0.123 0.000 1.181 408 A CA 1.962 53.989 52.037 -0.017 0.000 0.623 408 A CB -0.523 18.451 19.000 -0.044 0.000 0.818 408 A HN 0.533 nan 8.150 nan 0.000 0.443 409 Q N -2.825 116.812 119.800 -0.272 0.000 2.302 409 Q HA 0.042 4.383 4.340 0.002 0.000 0.202 409 Q C 0.674 176.291 176.000 -0.639 0.000 0.936 409 Q CA 0.993 56.444 55.803 -0.586 0.000 0.886 409 Q CB 0.170 28.291 28.738 -1.029 0.000 0.986 409 Q HN 0.908 nan 8.270 nan 0.000 0.487 410 Y N 0.011 120.274 120.300 -0.063 0.000 2.563 410 Y HA 0.118 4.672 4.550 0.008 0.000 0.250 410 Y C 0.344 176.182 175.900 -0.103 0.000 1.126 410 Y CA -0.813 57.239 58.100 -0.081 0.000 1.231 410 Y CB 0.757 39.154 38.460 -0.106 0.000 1.288 410 Y HN 0.037 nan 8.280 nan 0.000 0.537 411 Q N 1.745 121.542 119.800 -0.005 0.000 2.364 411 Q HA 0.150 4.492 4.340 0.002 0.000 0.267 411 Q C -0.550 175.455 176.000 0.009 0.000 0.999 411 Q CA -0.126 55.642 55.803 -0.058 0.000 0.886 411 Q CB 1.224 29.964 28.738 0.003 0.000 1.243 411 Q HN 0.308 nan 8.270 nan 0.000 0.415 412 Q N 1.515 121.318 119.800 0.006 0.000 2.340 412 Q HA 0.537 4.879 4.340 0.002 0.000 0.268 412 Q C -0.528 175.488 176.000 0.027 0.000 1.031 412 Q CA 0.249 56.065 55.803 0.022 0.000 0.804 412 Q CB 1.647 30.398 28.738 0.021 0.000 1.286 412 Q HN 1.053 nan 8.270 nan 0.000 0.448 413 G N 0.000 108.818 108.800 0.029 0.000 5.446 413 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 413 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 413 G CA 0.000 45.117 45.100 0.029 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925