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 1kae_1_A DATA FIRST_RESID 2 DATA SEQUENCE SFNTIIDWNS CTAEQQRQLL XRPAISASES ITRTVNDILD NVKARGDEAL DATA SEQUENCE REYSAKFDKT TVTALKVSAE EIAAASERLS DELKQAXAVA VKNIETFHTA DATA SEQUENCE QKLPPVDVET QPGVRCQQVT RPVASVGLYI PGGSAPLFST VLXLATPASI DATA SEQUENCE AGCKKVVLCS PPPIADEILY AAQLCGVQDV FNVGGAQAIA ALAFGTESVP DATA SEQUENCE KVDKIFGPGN AFVTEAKRQV SQRLDGAAID XPAGPSEVLV IADSGATPDF DATA SEQUENCE VASDLLSQAE HGPDSQVILL TPAADXARRV AEAVERQLAE LPRAETARQA DATA SEQUENCE LNASRLIVTK DLAQCVEISN QYGPEHLIIQ TRNARELVDS ITSAGSVFLG DATA SEQUENCE DWSPESAGDY ASGTNHVLPT YGYTATCSSL GLADFQKRXT VQELSKEGFS DATA SEQUENCE ALASTIETLA AAERLTAHKN AVTLRVNALK EQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.529 174.600 -0.118 0.000 1.055 2 S CA 0.000 58.086 58.200 -0.190 0.000 1.107 2 S CB 0.000 63.158 63.200 -0.071 0.000 0.593 3 F N 3.045 122.996 119.950 0.000 0.000 2.558 3 F HA 0.494 5.021 4.527 -0.000 0.000 0.298 3 F C 1.493 177.290 175.800 -0.004 0.000 1.119 3 F CA 0.485 58.484 58.000 -0.002 0.000 1.451 3 F CB -0.979 38.018 39.000 -0.005 0.000 1.091 3 F HN 0.137 nan 8.300 nan 0.000 0.563 4 N N 0.737 119.244 118.700 -0.322 0.000 2.571 4 N HA -0.064 4.676 4.740 -0.000 0.000 0.189 4 N C 0.416 175.889 175.510 -0.062 0.000 1.154 4 N CA 1.121 54.072 53.050 -0.165 0.000 0.907 4 N CB -0.479 37.812 38.487 -0.325 0.000 0.977 4 N HN 0.474 nan 8.380 nan 0.000 0.449 5 T N -0.157 114.370 114.554 -0.044 0.000 2.729 5 T HA 0.298 4.648 4.350 -0.000 0.000 0.296 5 T C 0.443 175.154 174.700 0.019 0.000 0.928 5 T CA -0.776 61.313 62.100 -0.017 0.000 1.045 5 T CB 0.588 69.445 68.868 -0.019 0.000 0.902 5 T HN -0.150 nan 8.240 nan 0.000 0.500 6 I N 4.228 124.810 120.570 0.019 0.000 2.556 6 I HA 0.220 4.390 4.170 -0.000 0.000 0.284 6 I C 0.654 176.796 176.117 0.041 0.000 1.114 6 I CA -1.141 60.179 61.300 0.033 0.000 1.418 6 I CB -0.021 37.994 38.000 0.025 0.000 1.394 6 I HN 0.711 nan 8.210 nan 0.000 0.552 7 I N 5.422 126.029 120.570 0.063 0.000 2.304 7 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 7 I C 0.678 176.863 176.117 0.113 0.000 1.018 7 I CA -0.243 61.109 61.300 0.087 0.000 1.260 7 I CB 0.756 38.832 38.000 0.127 0.000 1.390 7 I HN 0.502 nan 8.210 nan 0.000 0.475 8 D N 7.363 127.816 120.400 0.088 0.000 2.453 8 D HA -0.074 4.566 4.640 -0.000 0.000 0.223 8 D C 0.968 177.358 176.300 0.150 0.000 1.183 8 D CA -0.214 53.848 54.000 0.104 0.000 0.933 8 D CB 0.540 41.374 40.800 0.057 0.000 1.038 8 D HN 0.689 nan 8.370 nan 0.000 0.513 9 W N 5.092 126.385 121.300 -0.011 0.000 2.290 9 W HA -0.276 4.384 4.660 -0.000 0.000 0.323 9 W C 0.961 177.476 176.519 -0.007 0.000 1.260 9 W CA 1.099 58.438 57.345 -0.010 0.000 1.266 9 W CB -0.042 29.411 29.460 -0.012 0.000 1.149 9 W HN 0.481 nan 8.180 nan 0.000 0.482 10 N N 0.135 118.935 118.700 0.167 0.000 2.550 10 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 10 N C 1.373 176.858 175.510 -0.042 0.000 1.110 10 N CA 1.171 54.239 53.050 0.030 0.000 0.912 10 N CB -0.130 38.425 38.487 0.113 0.000 0.968 10 N HN 0.039 nan 8.380 nan 0.000 0.448 11 S N 0.121 115.799 115.700 -0.037 0.000 2.575 11 S HA 0.102 4.572 4.470 -0.000 0.000 0.215 11 S C 0.761 175.305 174.600 -0.093 0.000 0.966 11 S CA -0.205 57.967 58.200 -0.046 0.000 0.911 11 S CB 0.297 63.486 63.200 -0.018 0.000 0.780 11 S HN 0.296 nan 8.310 nan 0.000 0.514 12 C N 3.049 122.247 119.300 -0.169 0.000 2.370 12 C HA 0.605 5.065 4.460 -0.000 0.000 0.354 12 C C 1.290 176.130 174.990 -0.250 0.000 1.218 12 C CA -1.285 57.600 59.018 -0.221 0.000 2.154 12 C CB 0.576 28.116 27.740 -0.333 0.000 2.391 12 C HN 0.543 nan 8.230 nan 0.000 0.540 13 T N -0.037 114.404 114.554 -0.189 0.000 2.813 13 T HA 0.375 4.725 4.350 -0.000 0.000 0.297 13 T C 1.135 175.705 174.700 -0.216 0.000 1.036 13 T CA 0.141 62.145 62.100 -0.161 0.000 1.044 13 T CB 0.775 69.579 68.868 -0.106 0.000 0.993 13 T HN 0.843 nan 8.240 nan 0.000 0.535 14 A N 0.805 123.525 122.820 -0.168 0.000 1.972 14 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 14 A C 2.164 179.666 177.584 -0.137 0.000 1.169 14 A CA 1.498 53.436 52.037 -0.166 0.000 0.635 14 A CB -0.933 18.013 19.000 -0.090 0.000 0.810 14 A HN 0.898 nan 8.150 nan 0.000 0.446 15 E N 0.291 120.429 120.200 -0.103 0.000 2.051 15 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 15 E C 2.157 178.703 176.600 -0.088 0.000 0.991 15 E CA 1.677 58.033 56.400 -0.074 0.000 0.799 15 E CB -0.460 29.207 29.700 -0.055 0.000 0.748 15 E HN 0.764 nan 8.360 nan 0.000 0.449 16 Q N 0.332 120.060 119.800 -0.119 0.000 2.124 16 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 16 Q C 2.269 178.175 176.000 -0.157 0.000 0.977 16 Q CA 1.397 57.129 55.803 -0.118 0.000 0.850 16 Q CB -0.170 28.491 28.738 -0.128 0.000 0.901 16 Q HN 0.409 nan 8.270 nan 0.000 0.429 17 Q N 0.330 119.951 119.800 -0.298 0.000 2.061 17 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 17 Q C 2.142 178.095 176.000 -0.078 0.000 0.984 17 Q CA 1.169 56.701 55.803 -0.451 0.000 0.846 17 Q CB -0.160 28.038 28.738 -0.900 0.000 0.902 17 Q HN 0.320 nan 8.270 nan 0.000 0.421 18 R N 0.400 120.878 120.500 -0.037 0.000 2.091 18 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 18 R C 2.237 178.576 176.300 0.064 0.000 1.136 18 R CA 1.084 57.216 56.100 0.053 0.000 0.959 18 R CB -0.219 30.098 30.300 0.028 0.000 0.856 18 R HN 0.311 nan 8.270 nan 0.000 0.437 19 Q N 0.747 120.563 119.800 0.027 0.000 2.167 19 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 19 Q C 2.289 178.327 176.000 0.064 0.000 0.970 19 Q CA 1.052 56.878 55.803 0.039 0.000 0.855 19 Q CB -0.175 28.571 28.738 0.013 0.000 0.911 19 Q HN 0.422 nan 8.270 nan 0.000 0.438 20 L N -0.039 121.227 121.223 0.071 0.000 2.083 20 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 20 L C 1.366 178.312 176.870 0.127 0.000 1.083 20 L CA 0.538 55.439 54.840 0.101 0.000 0.752 20 L CB -0.403 41.741 42.059 0.142 0.000 0.899 20 L HN 0.122 nan 8.230 nan 0.000 0.433 24 P HA 0.233 nan 4.420 nan 0.000 0.267 24 P C -0.923 176.461 177.300 0.140 0.000 1.200 24 P CA -0.252 62.915 63.100 0.110 0.000 0.772 24 P CB 0.549 32.303 31.700 0.091 0.000 0.855 25 A N 2.653 125.528 122.820 0.090 0.000 2.531 25 A HA 0.225 4.545 4.320 -0.000 0.000 0.236 25 A C 0.192 177.808 177.584 0.053 0.000 1.062 25 A CA 0.159 52.234 52.037 0.064 0.000 0.760 25 A CB -0.513 18.506 19.000 0.031 0.000 0.995 25 A HN 0.695 nan 8.150 nan 0.000 0.501 26 I N 2.693 123.263 120.570 0.000 0.000 2.641 26 I HA 0.238 4.408 4.170 -0.000 0.000 0.275 26 I C 0.840 176.898 176.117 -0.100 0.000 1.129 26 I CA 0.087 61.351 61.300 -0.061 0.000 1.094 26 I CB 1.054 38.956 38.000 -0.164 0.000 1.232 26 I HN 0.669 nan 8.210 nan 0.000 0.503 27 S N 5.432 121.089 115.700 -0.071 0.000 2.517 27 S HA 0.347 4.817 4.470 -0.000 0.000 0.214 27 S C 1.024 175.574 174.600 -0.083 0.000 0.991 27 S CA 0.457 58.614 58.200 -0.072 0.000 0.906 27 S CB 0.122 63.294 63.200 -0.048 0.000 0.789 27 S HN 1.553 nan 8.310 nan 0.000 0.513 28 A N 1.954 124.713 122.820 -0.100 0.000 1.679 28 A HA 0.020 4.340 4.320 -0.000 0.000 0.221 28 A C 0.627 178.151 177.584 -0.100 0.000 1.286 28 A CA 0.476 52.439 52.037 -0.122 0.000 0.693 28 A CB -2.359 16.566 19.000 -0.125 0.000 1.179 28 A HN 1.717 nan 8.150 nan 0.000 0.226 29 S N 1.394 117.034 115.700 -0.101 0.000 2.580 29 S HA 0.217 4.687 4.470 -0.000 0.000 0.261 29 S C 0.902 175.467 174.600 -0.059 0.000 1.366 29 S CA 0.559 58.718 58.200 -0.069 0.000 0.996 29 S CB 0.614 63.778 63.200 -0.060 0.000 0.902 29 S HN 0.715 nan 8.310 nan 0.000 0.566 30 E N 0.070 120.250 120.200 -0.033 0.000 2.299 30 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 30 E C 2.130 178.726 176.600 -0.006 0.000 0.998 30 E CA 0.657 57.045 56.400 -0.019 0.000 0.851 30 E CB -0.082 29.612 29.700 -0.010 0.000 0.795 30 E HN 0.688 nan 8.360 nan 0.000 0.492 31 S N 1.133 116.831 115.700 -0.004 0.000 2.343 31 S HA -0.152 4.318 4.470 -0.000 0.000 0.219 31 S C 2.022 176.640 174.600 0.031 0.000 1.033 31 S CA 0.951 59.164 58.200 0.023 0.000 1.014 31 S CB -0.198 63.017 63.200 0.026 0.000 0.915 31 S HN 0.193 nan 8.310 nan 0.000 0.435 32 I N 1.219 121.770 120.570 -0.031 0.000 2.208 32 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 32 I C 2.594 178.691 176.117 -0.034 0.000 1.097 32 I CA 1.625 62.870 61.300 -0.092 0.000 1.363 32 I CB -0.900 36.893 38.000 -0.344 0.000 1.051 32 I HN 0.373 nan 8.210 nan 0.000 0.413 33 T N 1.040 115.570 114.554 -0.040 0.000 2.788 33 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 33 T C 1.890 176.602 174.700 0.021 0.000 1.044 33 T CA 1.549 63.638 62.100 -0.018 0.000 1.139 33 T CB -0.278 68.575 68.868 -0.026 0.000 0.867 33 T HN 0.501 nan 8.240 nan 0.000 0.454 34 R N 1.029 121.549 120.500 0.034 0.000 2.073 34 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 34 R C 2.272 178.619 176.300 0.078 0.000 1.120 34 R CA 1.513 57.643 56.100 0.050 0.000 0.967 34 R CB -1.260 29.068 30.300 0.046 0.000 0.862 34 R HN 0.152 nan 8.270 nan 0.000 0.436 35 T N 1.396 116.015 114.554 0.108 0.000 2.720 35 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 35 T C 2.013 176.797 174.700 0.141 0.000 1.037 35 T CA 1.596 63.788 62.100 0.153 0.000 1.144 35 T CB -0.189 68.817 68.868 0.230 0.000 0.864 35 T HN 0.052 nan 8.240 nan 0.000 0.444 36 V N 2.544 122.535 119.914 0.128 0.000 2.427 36 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 36 V C 2.473 178.615 176.094 0.080 0.000 1.051 36 V CA 1.510 63.867 62.300 0.096 0.000 1.048 36 V CB -0.696 31.165 31.823 0.063 0.000 0.666 36 V HN 0.623 nan 8.190 nan 0.000 0.456 37 N N 0.074 118.817 118.700 0.072 0.000 2.223 37 N HA -0.210 4.530 4.740 -0.000 0.000 0.185 37 N C 1.416 176.975 175.510 0.082 0.000 1.016 37 N CA 1.626 54.718 53.050 0.071 0.000 0.863 37 N CB 0.010 38.528 38.487 0.051 0.000 0.983 37 N HN 0.439 nan 8.380 nan 0.000 0.429 38 D N 0.955 121.410 120.400 0.091 0.000 2.103 38 D HA -0.028 4.612 4.640 -0.000 0.000 0.199 38 D C 2.107 178.493 176.300 0.143 0.000 0.978 38 D CA 0.569 54.631 54.000 0.105 0.000 0.829 38 D CB -0.223 40.646 40.800 0.115 0.000 0.981 38 D HN 0.351 nan 8.370 nan 0.000 0.464 39 I N 0.777 121.433 120.570 0.143 0.000 2.163 39 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 39 I C 2.374 178.594 176.117 0.173 0.000 1.085 39 I CA 0.821 62.205 61.300 0.139 0.000 1.347 39 I CB -0.178 37.786 38.000 -0.059 0.000 1.044 39 I HN 0.003 nan 8.210 nan 0.000 0.408 40 L N -0.021 121.304 121.223 0.169 0.000 2.017 40 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 40 L C 2.256 179.245 176.870 0.198 0.000 1.073 40 L CA 1.359 56.383 54.840 0.305 0.000 0.745 40 L CB -0.981 41.289 42.059 0.352 0.000 0.894 40 L HN 0.265 nan 8.230 nan 0.000 0.432 41 D N 0.200 120.648 120.400 0.081 0.000 2.104 41 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 41 D C 1.930 178.216 176.300 -0.023 0.000 0.994 41 D CA 1.486 55.466 54.000 -0.034 0.000 0.830 41 D CB -0.390 40.404 40.800 -0.009 0.000 0.959 41 D HN 0.262 nan 8.370 nan 0.000 0.452 42 N N 0.340 119.079 118.700 0.066 0.000 2.166 42 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 42 N C 1.633 177.196 175.510 0.088 0.000 1.019 42 N CA 0.802 53.899 53.050 0.077 0.000 0.856 42 N CB -0.090 38.485 38.487 0.147 0.000 0.993 42 N HN -0.019 nan 8.380 nan 0.000 0.426 43 V N 0.539 120.550 119.914 0.162 0.000 2.453 43 V HA -0.109 4.011 4.120 -0.000 0.000 0.247 43 V C 2.412 178.568 176.094 0.103 0.000 1.048 43 V CA 1.464 63.875 62.300 0.186 0.000 1.049 43 V CB -0.560 31.435 31.823 0.286 0.000 0.672 43 V HN 0.392 nan 8.190 nan 0.000 0.457 44 K N 0.236 120.604 120.400 -0.053 0.000 2.097 44 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 44 K C 2.130 178.643 176.600 -0.146 0.000 1.049 44 K CA 1.532 57.647 56.287 -0.287 0.000 0.933 44 K CB -0.220 31.746 32.500 -0.890 0.000 0.717 44 K HN 0.438 nan 8.250 nan 0.000 0.442 45 A N 1.379 124.133 122.820 -0.110 0.000 1.832 45 A HA -0.066 4.253 4.320 -0.000 0.000 0.214 45 A C 1.804 179.367 177.584 -0.035 0.000 1.204 45 A CA 1.132 53.128 52.037 -0.069 0.000 0.606 45 A CB -0.290 18.675 19.000 -0.059 0.000 0.849 45 A HN 0.287 nan 8.150 nan 0.000 0.445 46 R N -0.303 120.186 120.500 -0.018 0.000 2.334 46 R HA 0.261 4.601 4.340 -0.000 0.000 0.220 46 R C 1.341 177.642 176.300 0.001 0.000 0.917 46 R CA 0.330 56.421 56.100 -0.015 0.000 1.073 46 R CB -0.262 30.020 30.300 -0.030 0.000 1.056 46 R HN 0.638 nan 8.270 nan 0.000 0.506 47 G N 2.374 111.187 108.800 0.022 0.000 2.632 47 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.322 47 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.322 47 G C 0.409 175.329 174.900 0.033 0.000 1.326 47 G CA 0.854 45.974 45.100 0.034 0.000 0.986 47 G HN 0.273 nan 8.290 nan 0.000 0.541 48 D N 0.209 120.621 120.400 0.021 0.000 2.190 48 D HA -0.060 4.579 4.640 -0.000 0.000 0.200 48 D C 2.172 178.478 176.300 0.010 0.000 0.992 48 D CA 1.617 55.630 54.000 0.021 0.000 0.854 48 D CB -0.287 40.523 40.800 0.017 0.000 0.936 48 D HN 0.669 nan 8.370 nan 0.000 0.462 49 E N 0.106 120.301 120.200 -0.008 0.000 2.058 49 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 49 E C 1.974 178.531 176.600 -0.071 0.000 0.997 49 E CA 1.230 57.609 56.400 -0.035 0.000 0.801 49 E CB -0.032 29.644 29.700 -0.040 0.000 0.746 49 E HN 0.220 nan 8.360 nan 0.000 0.450 50 A N 1.115 123.896 122.820 -0.065 0.000 1.877 50 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 50 A C 2.237 179.767 177.584 -0.090 0.000 1.186 50 A CA 1.174 53.124 52.037 -0.144 0.000 0.620 50 A CB -0.727 18.261 19.000 -0.019 0.000 0.822 50 A HN 0.318 nan 8.150 nan 0.000 0.443 51 L N -0.958 120.316 121.223 0.085 0.000 1.990 51 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 51 L C 2.901 179.837 176.870 0.110 0.000 1.072 51 L CA 1.962 56.908 54.840 0.178 0.000 0.755 51 L CB -0.604 41.530 42.059 0.125 0.000 0.889 51 L HN 0.393 nan 8.230 nan 0.000 0.432 52 R N -0.104 120.414 120.500 0.030 0.000 2.120 52 R HA -0.166 4.173 4.340 -0.000 0.000 0.234 52 R C 2.121 178.395 176.300 -0.044 0.000 1.123 52 R CA 1.266 57.372 56.100 0.010 0.000 0.975 52 R CB -0.244 30.055 30.300 -0.001 0.000 0.866 52 R HN 0.518 nan 8.270 nan 0.000 0.446 53 E N -0.353 119.759 120.200 -0.148 0.000 2.106 53 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 53 E C 1.477 177.934 176.600 -0.239 0.000 0.984 53 E CA 1.175 57.429 56.400 -0.242 0.000 0.806 53 E CB -0.042 29.423 29.700 -0.391 0.000 0.750 53 E HN 0.516 nan 8.360 nan 0.000 0.458 54 Y N 0.455 120.706 120.300 -0.080 0.000 2.457 54 Y HA -0.087 4.463 4.550 -0.000 0.000 0.292 54 Y C 2.650 178.529 175.900 -0.035 0.000 1.125 54 Y CA 0.620 58.649 58.100 -0.118 0.000 1.254 54 Y CB 0.179 38.639 38.460 -0.001 0.000 1.012 54 Y HN 0.054 nan 8.280 nan 0.000 0.555 55 S N -0.403 115.383 115.700 0.142 0.000 2.603 55 S HA 0.043 4.513 4.470 -0.000 0.000 0.229 55 S C 1.542 176.181 174.600 0.065 0.000 0.972 55 S CA 0.531 58.799 58.200 0.114 0.000 0.935 55 S CB -0.128 63.128 63.200 0.093 0.000 0.769 55 S HN 0.338 nan 8.310 nan 0.000 0.536 56 A N 1.721 124.554 122.820 0.022 0.000 1.983 56 A HA 0.356 4.676 4.320 -0.000 0.000 0.207 56 A C 1.904 179.480 177.584 -0.013 0.000 1.412 56 A CA 0.588 52.623 52.037 -0.003 0.000 0.750 56 A CB -0.499 18.479 19.000 -0.036 0.000 1.047 56 A HN 0.431 nan 8.150 nan 0.000 0.504 57 K N -0.247 120.104 120.400 -0.082 0.000 1.975 57 K HA -0.080 4.240 4.320 -0.000 0.000 0.224 57 K C 1.239 177.834 176.600 -0.008 0.000 1.038 57 K CA 1.977 58.177 56.287 -0.145 0.000 1.009 57 K CB -0.577 31.676 32.500 -0.411 0.000 0.750 57 K HN 0.368 nan 8.250 nan 0.000 0.445 58 F N 0.585 120.565 119.950 0.050 0.000 2.754 58 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 58 F C 0.580 176.392 175.800 0.020 0.000 1.234 58 F CA -0.417 57.585 58.000 0.004 0.000 1.460 58 F CB -0.065 38.906 39.000 -0.047 0.000 1.120 58 F HN 0.310 nan 8.300 nan 0.000 0.592 59 D N -0.491 120.018 120.400 0.181 0.000 2.652 59 D HA 0.414 5.054 4.640 -0.000 0.000 0.285 59 D C -1.124 175.227 176.300 0.085 0.000 1.173 59 D CA -0.806 53.272 54.000 0.130 0.000 0.981 59 D CB 1.300 42.179 40.800 0.132 0.000 1.440 59 D HN -0.037 nan 8.370 nan 0.000 0.485 60 K N 0.080 120.523 120.400 0.072 0.000 3.152 60 K HA 0.287 4.607 4.320 -0.000 0.000 0.206 60 K C -0.622 176.007 176.600 0.048 0.000 1.284 60 K CA -0.263 56.056 56.287 0.053 0.000 0.813 60 K CB 0.636 33.166 32.500 0.050 0.000 1.185 60 K HN 0.392 nan 8.250 nan 0.000 0.550 61 T N -4.340 110.244 114.554 0.049 0.000 3.074 61 T HA -0.001 4.349 4.350 -0.000 0.000 0.258 61 T C 0.444 175.169 174.700 0.041 0.000 0.891 61 T CA 0.292 62.420 62.100 0.045 0.000 0.867 61 T CB 0.185 69.085 68.868 0.054 0.000 1.261 61 T HN 0.126 nan 8.240 nan 0.000 0.537 62 T N 1.562 116.141 114.554 0.041 0.000 3.501 62 T HA -0.123 4.227 4.350 -0.000 0.000 0.411 62 T C -0.002 174.721 174.700 0.038 0.000 0.766 62 T CA 0.434 62.554 62.100 0.032 0.000 2.129 62 T CB -2.162 66.720 68.868 0.023 0.000 1.711 62 T HN 0.774 nan 8.240 nan 0.000 0.712 63 V N 2.790 122.734 119.914 0.049 0.000 2.655 63 V HA 0.412 4.532 4.120 -0.000 0.000 0.300 63 V C 1.549 177.672 176.094 0.048 0.000 1.044 63 V CA 1.580 63.914 62.300 0.056 0.000 1.095 63 V CB 1.421 33.290 31.823 0.077 0.000 0.952 63 V HN 0.987 nan 8.190 nan 0.000 0.485 64 T N 4.234 118.816 114.554 0.048 0.000 3.587 64 T HA 0.442 4.792 4.350 -0.000 0.000 0.221 64 T C 0.788 175.520 174.700 0.054 0.000 0.921 64 T CA 0.378 62.503 62.100 0.041 0.000 1.426 64 T CB -0.261 68.626 68.868 0.033 0.000 1.340 64 T HN 1.206 nan 8.240 nan 0.000 0.423 65 A N 1.474 124.328 122.820 0.057 0.000 2.409 65 A HA 0.609 4.929 4.320 -0.000 0.000 0.267 65 A C 1.209 178.856 177.584 0.104 0.000 1.127 65 A CA -0.466 51.615 52.037 0.074 0.000 0.795 65 A CB -0.323 18.713 19.000 0.060 0.000 1.061 65 A HN 0.635 nan 8.150 nan 0.000 0.502 66 L N 1.959 123.271 121.223 0.147 0.000 2.072 66 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 66 L C 1.634 178.685 176.870 0.301 0.000 1.079 66 L CA 1.112 56.086 54.840 0.223 0.000 0.752 66 L CB -0.149 42.047 42.059 0.227 0.000 0.906 66 L HN 0.742 nan 8.230 nan 0.000 0.436 67 K N 0.884 121.452 120.400 0.281 0.000 2.322 67 K HA 0.197 4.517 4.320 -0.000 0.000 0.283 67 K C -0.638 175.953 176.600 -0.016 0.000 1.042 67 K CA -0.360 55.971 56.287 0.074 0.000 0.958 67 K CB 1.006 33.545 32.500 0.066 0.000 0.984 67 K HN -0.214 nan 8.250 nan 0.000 0.473 68 V N 4.277 124.132 119.914 -0.099 0.000 2.637 68 V HA -0.003 4.117 4.120 -0.000 0.000 0.296 68 V C 0.511 176.564 176.094 -0.068 0.000 1.046 68 V CA -0.237 62.025 62.300 -0.062 0.000 1.066 68 V CB 1.051 32.830 31.823 -0.074 0.000 0.968 68 V HN 0.998 nan 8.190 nan 0.000 0.483 69 S N 4.300 119.979 115.700 -0.034 0.000 2.632 69 S HA 0.520 4.990 4.470 -0.000 0.000 0.267 69 S C 1.311 175.890 174.600 -0.035 0.000 1.276 69 S CA -0.059 58.122 58.200 -0.031 0.000 0.998 69 S CB 1.531 64.724 63.200 -0.012 0.000 0.953 69 S HN 1.011 nan 8.310 nan 0.000 0.547 70 A N 1.066 123.867 122.820 -0.031 0.000 1.908 70 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 70 A C 1.977 179.550 177.584 -0.019 0.000 1.181 70 A CA 1.923 53.943 52.037 -0.029 0.000 0.627 70 A CB -1.291 17.694 19.000 -0.024 0.000 0.818 70 A HN 0.890 nan 8.150 nan 0.000 0.445 71 E N 0.229 120.422 120.200 -0.012 0.000 2.110 71 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 71 E C 1.872 178.469 176.600 -0.005 0.000 0.988 71 E CA 1.536 57.932 56.400 -0.007 0.000 0.804 71 E CB -0.300 29.398 29.700 -0.004 0.000 0.745 71 E HN 0.787 nan 8.360 nan 0.000 0.458 72 E N -0.016 120.180 120.200 -0.008 0.000 2.150 72 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 72 E C 1.965 178.562 176.600 -0.004 0.000 0.985 72 E CA 0.649 57.046 56.400 -0.005 0.000 0.814 72 E CB -0.073 29.624 29.700 -0.005 0.000 0.752 72 E HN 0.277 nan 8.360 nan 0.000 0.466 73 I N 0.909 121.473 120.570 -0.010 0.000 2.353 73 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 73 I C 2.436 178.562 176.117 0.015 0.000 1.119 73 I CA 0.674 61.971 61.300 -0.004 0.000 1.417 73 I CB -0.142 37.842 38.000 -0.028 0.000 1.078 73 I HN 0.076 nan 8.210 nan 0.000 0.421 74 A N 0.681 123.505 122.820 0.008 0.000 1.930 74 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 74 A C 2.514 180.107 177.584 0.014 0.000 1.175 74 A CA 1.585 53.631 52.037 0.016 0.000 0.627 74 A CB -0.656 18.348 19.000 0.006 0.000 0.815 74 A HN 0.396 nan 8.150 nan 0.000 0.443 75 A N -0.157 122.667 122.820 0.006 0.000 1.930 75 A HA 0.244 4.564 4.320 -0.000 0.000 0.217 75 A C 2.455 180.037 177.584 -0.003 0.000 1.175 75 A CA 1.783 53.820 52.037 -0.000 0.000 0.627 75 A CB -0.866 18.133 19.000 -0.002 0.000 0.815 75 A HN 0.933 nan 8.150 nan 0.000 0.443 76 A N -0.314 122.509 122.820 0.005 0.000 1.877 76 A HA -0.076 4.243 4.320 -0.000 0.000 0.216 76 A C 2.433 180.015 177.584 -0.004 0.000 1.186 76 A CA 2.054 54.093 52.037 0.002 0.000 0.620 76 A CB -0.958 18.052 19.000 0.017 0.000 0.822 76 A HN 0.445 nan 8.150 nan 0.000 0.443 77 S N -0.394 115.334 115.700 0.046 0.000 2.383 77 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 77 S C 1.960 176.520 174.600 -0.065 0.000 1.030 77 S CA 1.312 59.545 58.200 0.055 0.000 1.002 77 S CB -0.294 63.039 63.200 0.222 0.000 0.829 77 S HN 0.636 nan 8.310 nan 0.000 0.467 78 E N 1.550 121.731 120.200 -0.032 0.000 2.150 78 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 78 E C 1.963 178.521 176.600 -0.069 0.000 0.985 78 E CA 0.761 57.133 56.400 -0.046 0.000 0.814 78 E CB -0.078 29.608 29.700 -0.023 0.000 0.752 78 E HN 0.433 nan 8.360 nan 0.000 0.466 79 R N -0.215 120.244 120.500 -0.069 0.000 2.235 79 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 79 R C 0.819 177.055 176.300 -0.107 0.000 1.059 79 R CA 0.150 56.207 56.100 -0.072 0.000 0.997 79 R CB 0.013 30.281 30.300 -0.054 0.000 0.884 79 R HN 0.120 nan 8.270 nan 0.000 0.462 80 L N 1.251 122.375 121.223 -0.165 0.000 2.399 80 L HA 0.126 4.466 4.340 -0.000 0.000 0.266 80 L C 0.771 177.518 176.870 -0.205 0.000 1.114 80 L CA -0.523 54.184 54.840 -0.222 0.000 0.804 80 L CB 1.285 43.119 42.059 -0.376 0.000 1.146 80 L HN 0.065 nan 8.230 nan 0.000 0.451 81 S N -0.452 115.143 115.700 -0.175 0.000 2.585 81 S HA 0.072 4.542 4.470 -0.000 0.000 0.273 81 S C 0.464 174.974 174.600 -0.151 0.000 1.339 81 S CA -0.738 57.382 58.200 -0.134 0.000 1.028 81 S CB 1.157 64.297 63.200 -0.100 0.000 0.906 81 S HN 0.578 nan 8.310 nan 0.000 0.528 82 D N 0.796 121.130 120.400 -0.109 0.000 2.219 82 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 82 D C 1.689 177.942 176.300 -0.078 0.000 0.970 82 D CA 1.156 55.100 54.000 -0.094 0.000 0.851 82 D CB -0.232 40.531 40.800 -0.060 0.000 0.943 82 D HN 0.866 nan 8.370 nan 0.000 0.488 83 E N 0.096 120.254 120.200 -0.070 0.000 2.051 83 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 83 E C 2.038 178.604 176.600 -0.055 0.000 0.991 83 E CA 0.511 56.881 56.400 -0.051 0.000 0.799 83 E CB -0.022 29.651 29.700 -0.045 0.000 0.748 83 E HN 0.097 nan 8.360 nan 0.000 0.449 84 L N 1.605 122.775 121.223 -0.088 0.000 2.027 84 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 84 L C 2.086 178.893 176.870 -0.105 0.000 1.074 84 L CA 1.867 56.648 54.840 -0.099 0.000 0.745 84 L CB -0.378 41.582 42.059 -0.165 0.000 0.898 84 L HN -0.023 nan 8.230 nan 0.000 0.433 85 K N -0.810 119.481 120.400 -0.181 0.000 2.063 85 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 85 K C 2.141 178.754 176.600 0.022 0.000 1.048 85 K CA 1.953 58.156 56.287 -0.140 0.000 0.928 85 K CB -0.273 32.084 32.500 -0.237 0.000 0.713 85 K HN 0.539 nan 8.250 nan 0.000 0.442 86 Q N 0.856 120.654 119.800 -0.004 0.000 2.079 86 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 86 Q C 0.675 176.700 176.000 0.042 0.000 0.974 86 Q CA 0.866 56.683 55.803 0.023 0.000 0.840 86 Q CB 0.003 28.743 28.738 0.003 0.000 0.898 86 Q HN 0.269 nan 8.270 nan 0.000 0.430 90 V N 1.322 121.278 119.914 0.070 0.000 2.295 90 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 90 V C 3.025 179.165 176.094 0.076 0.000 1.049 90 V CA 2.740 65.078 62.300 0.063 0.000 1.024 90 V CB -1.144 30.714 31.823 0.058 0.000 0.648 90 V HN 0.732 nan 8.190 nan 0.000 0.447 91 A N -0.324 122.556 122.820 0.099 0.000 1.858 91 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 91 A C 2.408 180.045 177.584 0.089 0.000 1.190 91 A CA 2.124 54.229 52.037 0.113 0.000 0.617 91 A CB -0.801 18.294 19.000 0.158 0.000 0.827 91 A HN 0.312 nan 8.150 nan 0.000 0.443 92 V N 0.479 120.438 119.914 0.075 0.000 2.332 92 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 92 V C 2.594 178.712 176.094 0.041 0.000 1.055 92 V CA 2.480 64.805 62.300 0.041 0.000 1.038 92 V CB -0.652 31.183 31.823 0.020 0.000 0.651 92 V HN 0.723 nan 8.190 nan 0.000 0.450 93 K N 0.007 120.434 120.400 0.046 0.000 2.057 93 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 93 K C 1.970 178.609 176.600 0.065 0.000 1.049 93 K CA 1.872 58.186 56.287 0.045 0.000 0.931 93 K CB -0.156 32.368 32.500 0.040 0.000 0.714 93 K HN 0.438 nan 8.250 nan 0.000 0.440 94 N N 0.923 119.669 118.700 0.077 0.000 2.171 94 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 94 N C 1.867 177.466 175.510 0.148 0.000 1.021 94 N CA 1.121 54.228 53.050 0.094 0.000 0.854 94 N CB -0.151 38.382 38.487 0.077 0.000 0.994 94 N HN 0.240 nan 8.380 nan 0.000 0.426 95 I N 0.911 121.572 120.570 0.151 0.000 2.226 95 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 95 I C 2.347 178.638 176.117 0.289 0.000 1.100 95 I CA 1.026 62.475 61.300 0.249 0.000 1.374 95 I CB -0.128 37.935 38.000 0.105 0.000 1.057 95 I HN 0.104 nan 8.210 nan 0.000 0.413 96 E N 0.820 121.098 120.200 0.130 0.000 2.051 96 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 96 E C 2.062 178.726 176.600 0.108 0.000 0.991 96 E CA 2.087 58.536 56.400 0.082 0.000 0.799 96 E CB -0.116 29.600 29.700 0.027 0.000 0.748 96 E HN 0.308 nan 8.360 nan 0.000 0.449 97 T N 0.202 114.825 114.554 0.114 0.000 2.652 97 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 97 T C 1.442 176.221 174.700 0.131 0.000 1.039 97 T CA 1.401 63.562 62.100 0.102 0.000 1.153 97 T CB -0.568 68.358 68.868 0.096 0.000 0.863 97 T HN 0.249 nan 8.240 nan 0.000 0.428 98 F N 1.454 121.407 119.950 0.006 0.000 2.146 98 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 98 F C 2.177 177.876 175.800 -0.168 0.000 1.096 98 F CA 1.305 59.253 58.000 -0.086 0.000 1.275 98 F CB -0.472 38.451 39.000 -0.127 0.000 1.008 98 F HN 0.268 nan 8.300 nan 0.000 0.480 99 H N -1.407 117.608 119.070 -0.093 0.000 2.462 99 H HA -0.024 4.532 4.556 -0.000 0.000 0.292 99 H C 2.233 177.456 175.328 -0.176 0.000 1.049 99 H CA 1.750 57.673 56.048 -0.208 0.000 1.334 99 H CB -0.559 29.144 29.762 -0.098 0.000 1.404 99 H HN 0.149 nan 8.280 nan 0.000 0.544 100 T N -0.021 114.520 114.554 -0.022 0.000 2.821 100 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 100 T C 2.232 176.884 174.700 -0.081 0.000 1.046 100 T CA 1.033 63.111 62.100 -0.038 0.000 1.139 100 T CB -0.361 68.500 68.868 -0.012 0.000 0.871 100 T HN 0.490 nan 8.240 nan 0.000 0.454 101 A N 1.062 123.807 122.820 -0.124 0.000 2.172 101 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 101 A C 2.030 179.498 177.584 -0.193 0.000 1.154 101 A CA 0.930 52.885 52.037 -0.137 0.000 0.701 101 A CB -0.428 18.499 19.000 -0.122 0.000 0.789 101 A HN 0.558 nan 8.150 nan 0.000 0.465 102 Q N -0.169 119.481 119.800 -0.250 0.000 2.425 102 Q HA 0.072 4.412 4.340 -0.000 0.000 0.204 102 Q C -0.136 175.799 176.000 -0.108 0.000 0.933 102 Q CA 0.001 55.671 55.803 -0.221 0.000 0.939 102 Q CB 0.110 28.679 28.738 -0.282 0.000 1.044 102 Q HN 0.495 nan 8.270 nan 0.000 0.513 103 K N 1.602 121.955 120.400 -0.078 0.000 2.472 103 K HA 0.022 4.342 4.320 -0.000 0.000 0.280 103 K C -0.371 176.208 176.600 -0.036 0.000 1.028 103 K CA 0.149 56.411 56.287 -0.042 0.000 1.045 103 K CB 0.413 32.893 32.500 -0.033 0.000 0.902 103 K HN 0.149 nan 8.250 nan 0.000 0.478 104 L N 6.283 127.493 121.223 -0.022 0.000 2.410 104 L HA 0.139 4.478 4.340 -0.000 0.000 0.273 104 L C -1.190 175.671 176.870 -0.014 0.000 1.152 104 L CA -1.616 53.214 54.840 -0.017 0.000 0.855 104 L CB -0.097 41.957 42.059 -0.008 0.000 1.129 104 L HN 0.538 nan 8.230 nan 0.000 0.463 105 P HA 0.265 nan 4.420 nan 0.000 0.274 105 P C -2.568 174.728 177.300 -0.006 0.000 1.256 105 P CA -1.249 61.845 63.100 -0.010 0.000 0.795 105 P CB -0.263 31.431 31.700 -0.010 0.000 1.038 106 P HA 0.067 nan 4.420 nan 0.000 0.266 106 P C -0.726 176.573 177.300 -0.000 0.000 1.195 106 P CA 0.149 63.248 63.100 -0.001 0.000 0.768 106 P CB 0.413 32.113 31.700 -0.001 0.000 0.838 107 V N 3.361 123.275 119.914 0.002 0.000 2.376 107 V HA 0.362 4.482 4.120 -0.000 0.000 0.287 107 V C -0.321 175.775 176.094 0.004 0.000 1.015 107 V CA -0.036 62.266 62.300 0.002 0.000 0.834 107 V CB 1.288 33.113 31.823 0.003 0.000 1.001 107 V HN 0.639 nan 8.190 nan 0.000 0.428 108 D N 3.870 124.273 120.400 0.004 0.000 2.354 108 D HA 0.424 5.064 4.640 -0.000 0.000 0.230 108 D C -1.603 174.700 176.300 0.006 0.000 1.361 108 D CA -0.049 53.954 54.000 0.005 0.000 0.992 108 D CB 1.952 42.755 40.800 0.005 0.000 1.409 108 D HN 0.419 nan 8.370 nan 0.000 0.573 109 V N 2.553 122.471 119.914 0.007 0.000 3.049 109 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 109 V C -1.209 174.890 176.094 0.008 0.000 1.148 109 V CA -0.610 61.694 62.300 0.007 0.000 0.990 109 V CB 2.248 34.074 31.823 0.006 0.000 1.039 109 V HN 0.380 nan 8.190 nan 0.000 0.430 110 E N 3.366 123.571 120.200 0.008 0.000 2.046 110 E HA 0.198 4.548 4.350 -0.000 0.000 0.279 110 E C 0.875 177.480 176.600 0.008 0.000 0.989 110 E CA 0.350 56.755 56.400 0.010 0.000 0.798 110 E CB 1.598 31.304 29.700 0.010 0.000 1.086 110 E HN 0.946 nan 8.360 nan 0.000 0.399 111 T N 0.677 115.236 114.554 0.009 0.000 2.833 111 T HA -0.235 4.115 4.350 -0.000 0.000 0.269 111 T C 0.818 175.521 174.700 0.004 0.000 1.054 111 T CA 1.096 63.199 62.100 0.006 0.000 1.135 111 T CB -0.087 68.785 68.868 0.007 0.000 0.869 111 T HN 0.581 nan 8.240 nan 0.000 0.466 112 Q N -0.074 119.729 119.800 0.005 0.000 2.511 112 Q HA 0.554 4.894 4.340 -0.000 0.000 0.289 112 Q C -3.491 172.512 176.000 0.006 0.000 1.021 112 Q CA -2.873 52.931 55.803 0.002 0.000 0.785 112 Q CB 1.085 29.822 28.738 -0.003 0.000 1.472 112 Q HN -0.093 nan 8.270 nan 0.000 0.411 113 P HA 0.024 nan 4.420 nan 0.000 0.260 113 P C 0.475 177.785 177.300 0.015 0.000 1.172 113 P CA 2.180 65.286 63.100 0.009 0.000 0.760 113 P CB 0.216 31.920 31.700 0.007 0.000 0.773 114 G N 1.752 110.563 108.800 0.020 0.000 2.159 114 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.256 114 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.256 114 G C -0.022 174.900 174.900 0.037 0.000 0.977 114 G CA -0.110 45.008 45.100 0.030 0.000 0.652 114 G HN 0.519 nan 8.290 nan 0.000 0.531 115 V N 1.164 121.095 119.914 0.028 0.000 2.289 115 V HA 0.478 4.598 4.120 -0.000 0.000 0.272 115 V C 0.511 176.619 176.094 0.024 0.000 1.026 115 V CA -0.692 61.627 62.300 0.032 0.000 0.807 115 V CB 1.283 33.122 31.823 0.025 0.000 1.044 115 V HN 0.414 nan 8.190 nan 0.000 0.443 116 R N 3.630 124.145 120.500 0.025 0.000 2.207 116 R HA 0.579 4.919 4.340 -0.000 0.000 0.334 116 R C -1.074 175.237 176.300 0.018 0.000 1.013 116 R CA -0.200 55.912 56.100 0.019 0.000 0.858 116 R CB 0.758 31.069 30.300 0.017 0.000 1.094 116 R HN 0.681 nan 8.270 nan 0.000 0.457 117 C N 3.960 123.269 119.300 0.015 0.000 2.382 117 C HA 0.495 4.955 4.460 -0.000 0.000 0.327 117 C C -0.442 174.555 174.990 0.011 0.000 1.250 117 C CA -0.666 58.361 59.018 0.014 0.000 1.707 117 C CB 1.470 29.218 27.740 0.014 0.000 2.272 117 C HN 0.793 nan 8.230 nan 0.000 0.506 118 Q N 1.094 120.900 119.800 0.011 0.000 2.451 118 Q HA 0.570 4.910 4.340 -0.000 0.000 0.281 118 Q C -1.127 174.878 176.000 0.009 0.000 1.099 118 Q CA -0.514 55.294 55.803 0.009 0.000 0.806 118 Q CB 2.469 31.212 28.738 0.008 0.000 1.419 118 Q HN 0.759 nan 8.270 nan 0.000 0.427 119 Q N 1.626 121.431 119.800 0.007 0.000 2.330 119 Q HA 0.605 4.945 4.340 -0.000 0.000 0.269 119 Q C -1.401 174.603 176.000 0.007 0.000 1.022 119 Q CA -0.607 55.200 55.803 0.007 0.000 0.796 119 Q CB 1.805 30.547 28.738 0.006 0.000 1.271 119 Q HN 0.582 nan 8.270 nan 0.000 0.450 120 V N 0.110 120.029 119.914 0.008 0.000 3.126 120 V HA 0.823 4.943 4.120 -0.000 0.000 0.314 120 V C -0.322 175.779 176.094 0.011 0.000 1.138 120 V CA -0.598 61.706 62.300 0.008 0.000 1.034 120 V CB 1.596 33.424 31.823 0.008 0.000 1.075 120 V HN 0.866 nan 8.190 nan 0.000 0.442 121 T N 0.083 114.645 114.554 0.012 0.000 2.912 121 T HA 0.847 5.197 4.350 -0.000 0.000 0.288 121 T C -0.607 174.105 174.700 0.020 0.000 1.030 121 T CA -0.888 61.222 62.100 0.018 0.000 1.020 121 T CB 2.088 70.968 68.868 0.020 0.000 1.056 121 T HN 0.857 nan 8.240 nan 0.000 0.480 122 R N 1.569 122.085 120.500 0.027 0.000 2.673 122 R HA 0.560 4.900 4.340 -0.000 0.000 0.281 122 R C -2.968 173.358 176.300 0.043 0.000 0.991 122 R CA -2.366 53.751 56.100 0.029 0.000 0.896 122 R CB 2.040 32.355 30.300 0.025 0.000 1.201 122 R HN 0.563 nan 8.270 nan 0.000 0.457 123 P HA 0.101 nan 4.420 nan 0.000 0.274 123 P C -0.092 177.255 177.300 0.079 0.000 1.237 123 P CA -0.364 62.778 63.100 0.070 0.000 0.793 123 P CB 0.788 32.522 31.700 0.057 0.000 0.977 124 V N 2.361 122.343 119.914 0.114 0.000 2.555 124 V HA 0.084 4.204 4.120 -0.000 0.000 0.286 124 V C 1.908 178.063 176.094 0.102 0.000 1.044 124 V CA 0.715 63.079 62.300 0.107 0.000 1.026 124 V CB 0.219 32.130 31.823 0.147 0.000 0.981 124 V HN 0.746 nan 8.190 nan 0.000 0.480 125 A N 4.604 127.469 122.820 0.075 0.000 1.902 125 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 125 A C 1.154 178.783 177.584 0.075 0.000 1.181 125 A CA 1.542 53.617 52.037 0.064 0.000 0.623 125 A CB -0.147 18.882 19.000 0.048 0.000 0.818 125 A HN 1.034 nan 8.150 nan 0.000 0.443 126 S N -1.237 114.516 115.700 0.088 0.000 2.571 126 S HA 0.600 5.069 4.470 -0.000 0.000 0.284 126 S C -0.798 173.886 174.600 0.140 0.000 1.128 126 S CA -0.126 58.134 58.200 0.100 0.000 0.970 126 S CB 1.447 64.695 63.200 0.080 0.000 1.039 126 S HN 1.317 nan 8.310 nan 0.000 0.485 127 V N -0.344 119.672 119.914 0.170 0.000 2.735 127 V HA 1.016 5.136 4.120 -0.000 0.000 0.310 127 V C 0.128 176.355 176.094 0.221 0.000 1.061 127 V CA -0.442 62.012 62.300 0.256 0.000 0.913 127 V CB 1.282 33.314 31.823 0.349 0.000 1.005 127 V HN 1.250 nan 8.190 nan 0.000 0.428 128 G N 3.848 112.802 108.800 0.256 0.000 2.415 128 G HA2 0.702 4.662 3.960 -0.000 0.000 0.327 128 G HA3 0.702 4.662 3.960 -0.000 0.000 0.327 128 G C -1.083 173.989 174.900 0.286 0.000 1.182 128 G CA -0.913 44.320 45.100 0.222 0.000 0.924 128 G HN 0.887 nan 8.290 nan 0.000 0.470 129 L N 1.743 123.106 121.223 0.233 0.000 2.333 129 L HA 0.396 4.736 4.340 -0.000 0.000 0.280 129 L C -1.063 175.927 176.870 0.199 0.000 1.004 129 L CA -1.110 53.867 54.840 0.228 0.000 0.820 129 L CB 1.994 44.129 42.059 0.126 0.000 1.247 129 L HN 0.546 nan 8.230 nan 0.000 0.416 130 Y N 4.749 125.133 120.300 0.141 0.000 2.330 130 Y HA 0.579 5.129 4.550 -0.000 0.000 0.336 130 Y C -0.575 175.388 175.900 0.106 0.000 1.036 130 Y CA -0.725 57.441 58.100 0.109 0.000 1.125 130 Y CB 1.061 39.571 38.460 0.083 0.000 1.194 130 Y HN 0.308 nan 8.280 nan 0.000 0.469 131 I N 8.659 128.765 120.570 -0.773 0.000 2.439 131 I HA 0.320 4.490 4.170 -0.000 0.000 0.285 131 I C -2.585 173.218 176.117 -0.523 0.000 1.021 131 I CA -2.719 58.346 61.300 -0.393 0.000 1.091 131 I CB 1.504 39.407 38.000 -0.162 0.000 1.242 131 I HN 0.512 nan 8.210 nan 0.000 0.439 132 P HA 0.189 nan 4.420 nan 0.000 0.269 132 P C 0.449 177.750 177.300 0.001 0.000 1.215 132 P CA 0.165 63.277 63.100 0.019 0.000 0.780 132 P CB 1.044 32.839 31.700 0.158 0.000 0.898 133 G N 0.221 109.048 108.800 0.045 0.000 3.075 133 G HA2 0.664 4.624 3.960 -0.000 0.000 0.156 133 G HA3 0.664 4.624 3.960 -0.000 0.000 0.156 133 G C 0.023 174.965 174.900 0.070 0.000 1.403 133 G CA -0.378 44.752 45.100 0.050 0.000 1.033 133 G HN 0.832 nan 8.290 nan 0.000 0.589 134 G N -2.063 106.778 108.800 0.068 0.000 2.525 134 G HA2 0.241 4.201 3.960 -0.000 0.000 0.685 134 G HA3 0.241 4.201 3.960 -0.000 0.000 0.685 134 G C 0.862 175.801 174.900 0.066 0.000 1.290 134 G CA 0.723 45.864 45.100 0.067 0.000 0.915 134 G HN 1.602 nan 8.290 nan 0.000 0.548 135 S N -1.015 114.721 115.700 0.061 0.000 2.489 135 S HA 0.431 4.901 4.470 -0.000 0.000 0.228 135 S C 1.364 176.007 174.600 0.071 0.000 0.995 135 S CA 1.657 59.891 58.200 0.057 0.000 0.934 135 S CB 0.433 63.661 63.200 0.046 0.000 0.771 135 S HN 2.271 nan 8.310 nan 0.000 0.522 136 A N 2.739 125.608 122.820 0.082 0.000 3.297 136 A HA 0.550 4.870 4.320 -0.000 0.000 0.304 136 A C -2.342 175.316 177.584 0.123 0.000 0.963 136 A CA -1.374 50.727 52.037 0.106 0.000 0.935 136 A CB 0.172 19.222 19.000 0.084 0.000 1.093 136 A HN 0.392 nan 8.150 nan 0.000 0.480 137 P HA 0.210 nan 4.420 nan 0.000 0.272 137 P C -0.283 177.104 177.300 0.145 0.000 1.230 137 P CA -0.175 63.005 63.100 0.135 0.000 0.788 137 P CB 0.869 32.647 31.700 0.131 0.000 0.949 138 L N 2.714 123.980 121.223 0.071 0.000 2.423 138 L HA 0.156 4.496 4.340 -0.000 0.000 0.249 138 L C 1.532 178.372 176.870 -0.050 0.000 1.276 138 L CA -0.451 54.366 54.840 -0.038 0.000 1.199 138 L CB -1.043 41.013 42.059 -0.004 0.000 1.407 138 L HN 0.376 nan 8.230 nan 0.000 0.410 139 F N -0.270 119.751 119.950 0.119 0.000 2.373 139 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 139 F C 2.357 178.229 175.800 0.120 0.000 1.080 139 F CA 0.792 58.852 58.000 0.101 0.000 1.417 139 F CB -0.942 38.117 39.000 0.097 0.000 1.070 139 F HN 0.448 nan 8.300 nan 0.000 0.546 140 S N -0.442 115.040 115.700 -0.364 0.000 2.400 140 S HA -0.213 4.257 4.470 -0.000 0.000 0.232 140 S C 1.771 176.385 174.600 0.025 0.000 1.025 140 S CA 1.540 59.691 58.200 -0.080 0.000 0.993 140 S CB -1.491 61.672 63.200 -0.061 0.000 0.808 140 S HN 0.508 nan 8.310 nan 0.000 0.478 141 T N 2.186 116.793 114.554 0.089 0.000 2.833 141 T HA 0.010 4.359 4.350 -0.000 0.000 0.269 141 T C 1.832 176.535 174.700 0.005 0.000 1.054 141 T CA 1.163 63.307 62.100 0.074 0.000 1.135 141 T CB -0.542 68.446 68.868 0.200 0.000 0.869 141 T HN 0.315 nan 8.240 nan 0.000 0.466 142 V N 1.493 121.436 119.914 0.049 0.000 2.332 142 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 142 V C 1.624 177.703 176.094 -0.024 0.000 1.055 142 V CA 1.226 63.542 62.300 0.027 0.000 1.038 142 V CB -0.748 31.118 31.823 0.072 0.000 0.651 142 V HN 0.423 nan 8.190 nan 0.000 0.450 146 A N 0.319 122.988 122.820 -0.252 0.000 1.930 146 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 146 A C 2.081 179.451 177.584 -0.356 0.000 1.175 146 A CA 2.476 54.348 52.037 -0.275 0.000 0.627 146 A CB -0.689 18.214 19.000 -0.161 0.000 0.815 146 A HN 0.414 nan 8.150 nan 0.000 0.443 147 T N 0.720 115.070 114.554 -0.340 0.000 2.674 147 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 147 T C -0.208 174.220 174.700 -0.453 0.000 1.039 147 T CA 1.860 63.763 62.100 -0.328 0.000 1.150 147 T CB -1.174 67.541 68.868 -0.254 0.000 0.864 147 T HN 0.401 nan 8.240 nan 0.000 0.427 148 P HA 0.081 nan 4.420 nan 0.000 0.217 148 P C 1.446 178.179 177.300 -0.945 0.000 1.150 148 P CA 1.029 63.672 63.100 -0.762 0.000 0.832 148 P CB -0.215 30.956 31.700 -0.883 0.000 0.787 149 A N -0.558 121.500 122.820 -1.270 0.000 1.972 149 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 149 A C 2.510 179.866 177.584 -0.379 0.000 1.169 149 A CA 2.189 53.721 52.037 -0.842 0.000 0.635 149 A CB -1.595 17.052 19.000 -0.588 0.000 0.810 149 A HN 0.217 nan 8.150 nan 0.000 0.446 150 S N -0.363 115.136 115.700 -0.336 0.000 2.345 150 S HA -0.087 4.383 4.470 -0.000 0.000 0.220 150 S C 1.900 176.406 174.600 -0.156 0.000 1.031 150 S CA 1.300 59.381 58.200 -0.198 0.000 0.996 150 S CB -0.486 62.608 63.200 -0.176 0.000 0.882 150 S HN 0.493 nan 8.310 nan 0.000 0.445 151 I N 1.747 122.211 120.570 -0.176 0.000 2.335 151 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 151 I C 2.644 178.710 176.117 -0.084 0.000 1.129 151 I CA 1.153 62.386 61.300 -0.113 0.000 1.402 151 I CB -0.428 37.511 38.000 -0.102 0.000 1.069 151 I HN 0.378 nan 8.210 nan 0.000 0.424 152 A N 0.282 123.040 122.820 -0.104 0.000 2.119 152 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 152 A C 1.940 179.516 177.584 -0.014 0.000 1.153 152 A CA 1.048 53.066 52.037 -0.031 0.000 0.692 152 A CB -0.632 18.383 19.000 0.024 0.000 0.799 152 A HN 0.590 nan 8.150 nan 0.000 0.458 153 G N -1.957 106.819 108.800 -0.039 0.000 2.132 153 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.228 153 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.228 153 G C 0.161 175.060 174.900 -0.002 0.000 1.000 153 G CA -0.125 44.963 45.100 -0.020 0.000 0.693 153 G HN 0.656 nan 8.290 nan 0.000 0.515 154 C N 0.616 119.916 119.300 0.001 0.000 2.590 154 C HA 0.232 4.692 4.460 -0.000 0.000 0.411 154 C C 2.202 177.202 174.990 0.018 0.000 1.420 154 C CA 0.836 59.874 59.018 0.034 0.000 1.643 154 C CB 0.585 28.358 27.740 0.055 0.000 2.528 154 C HN 0.685 nan 8.230 nan 0.000 0.606 155 K N 2.265 122.682 120.400 0.030 0.000 2.057 155 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 155 K C 0.833 177.448 176.600 0.026 0.000 1.050 155 K CA 1.283 57.584 56.287 0.023 0.000 0.935 155 K CB 0.078 32.594 32.500 0.027 0.000 0.715 155 K HN 0.715 nan 8.250 nan 0.000 0.439 156 K N 0.624 121.050 120.400 0.043 0.000 2.292 156 K HA 0.284 4.604 4.320 -0.000 0.000 0.257 156 K C -1.766 174.870 176.600 0.060 0.000 0.940 156 K CA -0.713 55.605 56.287 0.052 0.000 0.811 156 K CB 2.105 34.646 32.500 0.068 0.000 1.120 156 K HN -0.137 nan 8.250 nan 0.000 0.428 157 V N 5.439 125.381 119.914 0.047 0.000 2.462 157 V HA 0.306 4.426 4.120 -0.000 0.000 0.288 157 V C -0.473 175.655 176.094 0.057 0.000 1.020 157 V CA -0.827 61.499 62.300 0.042 0.000 0.857 157 V CB 1.231 33.043 31.823 -0.018 0.000 1.013 157 V HN 0.651 nan 8.190 nan 0.000 0.431 158 V N 3.348 123.331 119.914 0.115 0.000 3.113 158 V HA 0.871 4.991 4.120 -0.000 0.000 0.316 158 V C -0.987 175.199 176.094 0.154 0.000 1.125 158 V CA -1.002 61.390 62.300 0.154 0.000 1.026 158 V CB 2.378 34.413 31.823 0.353 0.000 1.080 158 V HN 0.712 nan 8.190 nan 0.000 0.444 159 L N 1.391 122.700 121.223 0.144 0.000 2.455 159 L HA 0.796 5.136 4.340 -0.000 0.000 0.264 159 L C -1.175 175.801 176.870 0.175 0.000 0.968 159 L CA -0.078 54.833 54.840 0.118 0.000 0.827 159 L CB 1.787 43.858 42.059 0.020 0.000 1.317 159 L HN 0.982 nan 8.230 nan 0.000 0.407 160 C N 2.294 121.691 119.300 0.161 0.000 2.417 160 C HA 0.857 5.317 4.460 -0.000 0.000 0.324 160 C C -0.033 174.922 174.990 -0.058 0.000 1.240 160 C CA -0.428 58.694 59.018 0.173 0.000 1.632 160 C CB 1.388 29.301 27.740 0.289 0.000 2.241 160 C HN 0.781 nan 8.230 nan 0.000 0.499 161 S N 2.559 118.247 115.700 -0.021 0.000 2.543 161 S HA 0.600 5.070 4.470 -0.000 0.000 0.271 161 S C -3.059 171.555 174.600 0.025 0.000 1.148 161 S CA -0.700 57.424 58.200 -0.128 0.000 0.914 161 S CB 1.674 64.814 63.200 -0.101 0.000 1.096 161 S HN 0.500 nan 8.310 nan 0.000 0.471 162 P HA 0.213 nan 4.420 nan 0.000 0.264 162 P C -2.584 174.765 177.300 0.083 0.000 1.193 162 P CA -0.813 62.353 63.100 0.110 0.000 0.763 162 P CB -0.249 31.527 31.700 0.127 0.000 0.810 163 P HA 0.227 nan 4.420 nan 0.000 0.277 163 P C -2.489 174.851 177.300 0.067 0.000 1.240 163 P CA -2.000 61.143 63.100 0.073 0.000 0.798 163 P CB -0.231 31.516 31.700 0.078 0.000 0.979 164 P HA 0.316 nan 4.420 nan 0.000 0.280 164 P C -0.218 177.108 177.300 0.043 0.000 1.244 164 P CA -0.185 62.942 63.100 0.046 0.000 0.784 164 P CB 0.863 32.587 31.700 0.039 0.000 0.913 165 I N 2.419 123.011 120.570 0.037 0.000 2.396 165 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 165 I C 1.233 177.368 176.117 0.030 0.000 1.056 165 I CA -0.664 60.656 61.300 0.032 0.000 1.365 165 I CB 0.857 38.870 38.000 0.022 0.000 1.407 165 I HN 0.405 nan 8.210 nan 0.000 0.509 166 A N 5.166 128.010 122.820 0.040 0.000 2.555 166 A HA -0.043 4.277 4.320 -0.000 0.000 0.233 166 A C 1.081 178.679 177.584 0.024 0.000 1.060 166 A CA -0.110 51.950 52.037 0.038 0.000 0.759 166 A CB 0.083 19.121 19.000 0.063 0.000 0.995 166 A HN 0.794 nan 8.150 nan 0.000 0.506 167 D N 1.257 121.659 120.400 0.004 0.000 2.149 167 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 167 D C 1.636 177.925 176.300 -0.019 0.000 0.990 167 D CA 1.970 55.965 54.000 -0.009 0.000 0.839 167 D CB -0.143 40.635 40.800 -0.038 0.000 0.948 167 D HN 0.754 nan 8.370 nan 0.000 0.460 168 E N 0.261 120.423 120.200 -0.062 0.000 2.077 168 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 168 E C 2.254 178.832 176.600 -0.037 0.000 0.989 168 E CA 0.466 56.756 56.400 -0.184 0.000 0.800 168 E CB -0.158 29.349 29.700 -0.321 0.000 0.746 168 E HN 0.353 nan 8.360 nan 0.000 0.452 169 I N 0.223 120.834 120.570 0.069 0.000 2.286 169 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 169 I C 2.045 178.188 176.117 0.043 0.000 1.104 169 I CA 0.784 62.143 61.300 0.097 0.000 1.397 169 I CB -0.165 37.882 38.000 0.079 0.000 1.072 169 I HN 0.101 nan 8.210 nan 0.000 0.417 170 L N -0.526 120.714 121.223 0.029 0.000 2.042 170 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 170 L C 2.677 179.555 176.870 0.013 0.000 1.076 170 L CA 1.761 56.607 54.840 0.009 0.000 0.749 170 L CB -0.833 41.235 42.059 0.015 0.000 0.893 170 L HN 0.282 nan 8.230 nan 0.000 0.432 171 Y N 0.554 120.810 120.300 -0.073 0.000 2.200 171 Y HA -0.234 4.316 4.550 -0.000 0.000 0.290 171 Y C 2.567 178.429 175.900 -0.063 0.000 1.137 171 Y CA 1.387 59.438 58.100 -0.081 0.000 1.163 171 Y CB -0.098 38.290 38.460 -0.120 0.000 0.988 171 Y HN 0.101 nan 8.280 nan 0.000 0.518 172 A N 0.535 123.336 122.820 -0.031 0.000 1.908 172 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 172 A C 2.380 179.895 177.584 -0.115 0.000 1.181 172 A CA 1.972 53.983 52.037 -0.043 0.000 0.627 172 A CB -1.520 17.558 19.000 0.131 0.000 0.818 172 A HN 0.606 nan 8.150 nan 0.000 0.445 173 A N -0.560 122.208 122.820 -0.088 0.000 1.858 173 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 173 A C 2.226 179.721 177.584 -0.149 0.000 1.190 173 A CA 2.070 54.048 52.037 -0.098 0.000 0.617 173 A CB -0.707 18.247 19.000 -0.076 0.000 0.827 173 A HN 0.680 nan 8.150 nan 0.000 0.443 174 Q N -0.820 118.865 119.800 -0.191 0.000 2.084 174 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 174 Q C 1.885 177.725 176.000 -0.266 0.000 0.978 174 Q CA 1.850 57.524 55.803 -0.213 0.000 0.844 174 Q CB -0.372 28.235 28.738 -0.219 0.000 0.898 174 Q HN 0.493 nan 8.270 nan 0.000 0.426 175 L N -0.077 120.907 121.223 -0.399 0.000 2.131 175 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 175 L C 1.494 178.247 176.870 -0.194 0.000 1.092 175 L CA 1.541 56.172 54.840 -0.349 0.000 0.759 175 L CB -0.291 41.515 42.059 -0.422 0.000 0.903 175 L HN 0.446 nan 8.230 nan 0.000 0.435 176 C N 0.479 119.679 119.300 -0.166 0.000 2.693 176 C HA 0.547 5.007 4.460 -0.000 0.000 0.286 176 C C 1.667 176.580 174.990 -0.128 0.000 1.277 176 C CA -0.022 58.915 59.018 -0.134 0.000 1.705 176 C CB -1.559 26.104 27.740 -0.128 0.000 1.879 176 C HN 0.835 nan 8.230 nan 0.000 0.607 177 G N 0.948 109.674 108.800 -0.124 0.000 2.143 177 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 177 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 177 G C 0.130 174.974 174.900 -0.094 0.000 0.991 177 G CA 0.294 45.333 45.100 -0.103 0.000 0.689 177 G HN 0.415 nan 8.290 nan 0.000 0.522 178 V N 0.624 120.479 119.914 -0.099 0.000 2.599 178 V HA 0.085 4.205 4.120 -0.000 0.000 0.300 178 V C 1.654 177.699 176.094 -0.081 0.000 1.034 178 V CA 1.361 63.611 62.300 -0.083 0.000 1.115 178 V CB 1.340 33.113 31.823 -0.083 0.000 0.934 178 V HN 0.597 nan 8.190 nan 0.000 0.485 179 Q N 1.982 121.745 119.800 -0.062 0.000 2.123 179 Q HA 0.066 4.406 4.340 -0.000 0.000 0.196 179 Q C -0.206 175.732 176.000 -0.105 0.000 0.958 179 Q CA 0.850 56.616 55.803 -0.061 0.000 0.841 179 Q CB 0.338 29.063 28.738 -0.023 0.000 0.915 179 Q HN 0.749 nan 8.270 nan 0.000 0.455 180 D N -0.341 119.972 120.400 -0.145 0.000 2.879 180 D HA 0.358 4.997 4.640 -0.000 0.000 0.236 180 D C -1.311 174.685 176.300 -0.507 0.000 1.171 180 D CA -0.350 53.430 54.000 -0.367 0.000 0.868 180 D CB 2.805 43.383 40.800 -0.370 0.000 1.598 180 D HN -0.203 nan 8.370 nan 0.000 0.497 181 V N 2.268 121.811 119.914 -0.618 0.000 2.540 181 V HA 0.513 4.633 4.120 -0.000 0.000 0.302 181 V C -0.706 175.027 176.094 -0.601 0.000 1.035 181 V CA -0.675 61.374 62.300 -0.419 0.000 0.873 181 V CB 1.218 32.918 31.823 -0.205 0.000 0.992 181 V HN 0.366 nan 8.190 nan 0.000 0.428 182 F N 2.228 122.195 119.950 0.029 0.000 2.508 182 F HA 0.480 5.007 4.527 -0.000 0.000 0.325 182 F C 0.861 176.689 175.800 0.046 0.000 1.090 182 F CA -0.835 57.190 58.000 0.042 0.000 0.945 182 F CB 1.566 40.600 39.000 0.056 0.000 1.156 182 F HN 0.354 nan 8.300 nan 0.000 0.463 183 N N 2.684 121.527 118.700 0.237 0.000 3.050 183 N HA 0.203 4.943 4.740 -0.000 0.000 0.289 183 N C -1.154 174.462 175.510 0.177 0.000 1.209 183 N CA 0.207 53.354 53.050 0.161 0.000 1.154 183 N CB 1.014 39.575 38.487 0.122 0.000 1.444 183 N HN 0.387 nan 8.380 nan 0.000 0.529 184 V N -0.538 119.492 119.914 0.194 0.000 2.969 184 V HA 0.833 4.953 4.120 -0.000 0.000 0.304 184 V C -0.417 175.819 176.094 0.235 0.000 1.192 184 V CA -0.532 61.883 62.300 0.193 0.000 0.962 184 V CB 1.847 33.774 31.823 0.175 0.000 1.045 184 V HN 0.438 nan 8.190 nan 0.000 0.428 185 G N 2.507 111.448 108.800 0.236 0.000 3.015 185 G HA2 0.845 4.805 3.960 -0.000 0.000 0.281 185 G HA3 0.845 4.805 3.960 -0.000 0.000 0.281 185 G C 0.348 175.363 174.900 0.190 0.000 1.386 185 G CA -0.128 45.177 45.100 0.342 0.000 0.959 185 G HN 2.178 nan 8.290 nan 0.000 0.522 186 G N -0.865 107.998 108.800 0.104 0.000 2.601 186 G HA2 0.197 4.157 3.960 -0.000 0.000 0.261 186 G HA3 0.197 4.157 3.960 -0.000 0.000 0.261 186 G C 1.449 176.226 174.900 -0.206 0.000 1.289 186 G CA 1.214 46.241 45.100 -0.121 0.000 0.920 186 G HN 1.933 nan 8.290 nan 0.000 0.571 187 A N -0.694 122.027 122.820 -0.164 0.000 1.972 187 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 187 A C 2.451 179.967 177.584 -0.113 0.000 1.169 187 A CA 2.681 54.639 52.037 -0.131 0.000 0.635 187 A CB -0.492 18.468 19.000 -0.067 0.000 0.810 187 A HN 1.275 nan 8.150 nan 0.000 0.446 188 Q N -0.298 119.430 119.800 -0.121 0.000 2.167 188 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 188 Q C 1.994 178.005 176.000 0.019 0.000 0.970 188 Q CA 1.591 57.366 55.803 -0.046 0.000 0.855 188 Q CB -0.799 27.913 28.738 -0.044 0.000 0.911 188 Q HN 0.525 nan 8.270 nan 0.000 0.438 189 A N 1.829 124.665 122.820 0.026 0.000 1.898 189 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 189 A C 2.226 179.821 177.584 0.018 0.000 1.181 189 A CA 1.226 53.316 52.037 0.089 0.000 0.620 189 A CB -0.364 18.795 19.000 0.266 0.000 0.819 189 A HN 0.306 nan 8.150 nan 0.000 0.442 190 I N 0.226 120.746 120.570 -0.082 0.000 2.226 190 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 190 I C 2.893 178.899 176.117 -0.185 0.000 1.100 190 I CA 1.430 62.652 61.300 -0.129 0.000 1.374 190 I CB -1.707 36.180 38.000 -0.189 0.000 1.057 190 I HN 0.358 nan 8.210 nan 0.000 0.413 191 A N 0.986 123.717 122.820 -0.149 0.000 1.902 191 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 191 A C 2.595 180.087 177.584 -0.154 0.000 1.181 191 A CA 1.959 53.876 52.037 -0.201 0.000 0.623 191 A CB -0.773 18.302 19.000 0.124 0.000 0.818 191 A HN 0.409 nan 8.150 nan 0.000 0.443 192 A N -0.292 122.514 122.820 -0.024 0.000 1.902 192 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 192 A C 2.162 179.702 177.584 -0.075 0.000 1.181 192 A CA 1.524 53.555 52.037 -0.010 0.000 0.623 192 A CB -0.573 18.413 19.000 -0.024 0.000 0.818 192 A HN 0.477 nan 8.150 nan 0.000 0.443 193 L N -1.132 120.035 121.223 -0.092 0.000 2.093 193 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 193 L C 3.021 179.809 176.870 -0.137 0.000 1.085 193 L CA 0.963 55.756 54.840 -0.077 0.000 0.755 193 L CB -0.436 41.613 42.059 -0.017 0.000 0.904 193 L HN 0.447 nan 8.230 nan 0.000 0.435 194 A N -0.479 122.159 122.820 -0.303 0.000 1.930 194 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 194 A C 1.792 179.169 177.584 -0.346 0.000 1.176 194 A CA 1.173 52.953 52.037 -0.429 0.000 0.632 194 A CB -0.340 18.216 19.000 -0.740 0.000 0.819 194 A HN 0.326 nan 8.150 nan 0.000 0.445 195 F N -0.737 119.208 119.950 -0.009 0.000 2.505 195 F HA 0.438 4.965 4.527 -0.000 0.000 0.289 195 F C 1.476 177.268 175.800 -0.013 0.000 1.101 195 F CA 0.088 58.083 58.000 -0.008 0.000 1.446 195 F CB -0.750 38.248 39.000 -0.004 0.000 1.123 195 F HN 0.394 nan 8.300 nan 0.000 0.564 196 G N 0.591 109.462 108.800 0.119 0.000 2.705 196 G HA2 0.173 4.133 3.960 -0.000 0.000 0.686 196 G HA3 0.173 4.133 3.960 -0.000 0.000 0.686 196 G C -0.284 174.648 174.900 0.053 0.000 1.285 196 G CA -0.491 44.636 45.100 0.045 0.000 0.800 196 G HN 0.546 nan 8.290 nan 0.000 0.611 197 T N -2.126 112.424 114.554 -0.008 0.000 2.626 197 T HA 0.725 5.075 4.350 -0.000 0.000 0.279 197 T C 0.979 175.670 174.700 -0.015 0.000 0.983 197 T CA 0.486 62.585 62.100 -0.001 0.000 1.059 197 T CB 1.444 70.304 68.868 -0.013 0.000 1.396 197 T HN 0.544 nan 8.240 nan 0.000 0.519 198 E N 0.425 120.621 120.200 -0.006 0.000 2.204 198 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 198 E C 1.929 178.528 176.600 -0.002 0.000 0.989 198 E CA 1.370 57.771 56.400 0.002 0.000 0.824 198 E CB -0.101 29.605 29.700 0.010 0.000 0.756 198 E HN 0.510 nan 8.360 nan 0.000 0.477 199 S N -0.690 114.991 115.700 -0.032 0.000 2.545 199 S HA 0.135 4.605 4.470 -0.000 0.000 0.232 199 S C 0.523 174.987 174.600 -0.227 0.000 1.070 199 S CA -0.223 57.955 58.200 -0.036 0.000 0.923 199 S CB 0.828 64.033 63.200 0.008 0.000 0.806 199 S HN -0.062 nan 8.310 nan 0.000 0.506 200 V N 5.362 125.049 119.914 -0.379 0.000 2.394 200 V HA 0.366 4.486 4.120 -0.000 0.000 0.282 200 V C -2.341 173.593 176.094 -0.267 0.000 1.031 200 V CA -2.186 59.716 62.300 -0.662 0.000 0.881 200 V CB 1.201 32.643 31.823 -0.636 0.000 0.982 200 V HN 0.191 nan 8.190 nan 0.000 0.451 201 P HA 0.173 nan 4.420 nan 0.000 0.274 201 P C -0.816 176.472 177.300 -0.019 0.000 1.231 201 P CA -0.616 62.467 63.100 -0.028 0.000 0.790 201 P CB 1.118 32.847 31.700 0.048 0.000 0.951 202 K N 2.102 122.508 120.400 0.009 0.000 2.339 202 K HA 0.304 4.624 4.320 -0.000 0.000 0.286 202 K C -0.066 176.548 176.600 0.023 0.000 1.050 202 K CA -0.570 55.726 56.287 0.014 0.000 0.956 202 K CB 0.325 32.848 32.500 0.039 0.000 0.990 202 K HN 0.355 nan 8.250 nan 0.000 0.475 203 V N 0.645 120.569 119.914 0.016 0.000 2.994 203 V HA 0.317 4.437 4.120 -0.000 0.000 0.318 203 V C 0.361 176.470 176.094 0.026 0.000 1.085 203 V CA -0.559 61.766 62.300 0.042 0.000 0.998 203 V CB 1.790 33.658 31.823 0.075 0.000 1.063 203 V HN 0.794 nan 8.190 nan 0.000 0.447 204 D N 0.355 120.781 120.400 0.043 0.000 2.234 204 D HA 0.114 4.754 4.640 -0.000 0.000 0.205 204 D C 0.471 176.766 176.300 -0.008 0.000 0.962 204 D CA 1.311 55.324 54.000 0.021 0.000 0.855 204 D CB 0.463 41.286 40.800 0.037 0.000 0.951 204 D HN 0.665 nan 8.370 nan 0.000 0.500 205 K N 0.174 120.586 120.400 0.019 0.000 2.542 205 K HA 0.443 4.763 4.320 -0.000 0.000 0.259 205 K C -1.644 174.943 176.600 -0.022 0.000 0.932 205 K CA -0.507 55.736 56.287 -0.073 0.000 0.820 205 K CB 1.936 34.372 32.500 -0.106 0.000 1.345 205 K HN -0.217 nan 8.250 nan 0.000 0.432 206 I N 4.056 124.512 120.570 -0.190 0.000 2.474 206 I HA 0.447 4.617 4.170 -0.000 0.000 0.294 206 I C -1.007 174.953 176.117 -0.261 0.000 1.005 206 I CA -0.836 60.426 61.300 -0.063 0.000 1.113 206 I CB 1.095 39.053 38.000 -0.070 0.000 1.289 206 I HN 0.432 nan 8.210 nan 0.000 0.436 207 F N 2.787 122.750 119.950 0.022 0.000 2.561 207 F HA 0.873 5.400 4.527 -0.000 0.000 0.321 207 F C 0.552 176.411 175.800 0.098 0.000 1.065 207 F CA -0.838 57.179 58.000 0.029 0.000 0.934 207 F CB 2.253 41.283 39.000 0.051 0.000 1.215 207 F HN 0.565 nan 8.300 nan 0.000 0.471 208 G N 2.152 111.118 108.800 0.277 0.000 2.453 208 G HA2 0.259 4.219 3.960 -0.000 0.000 0.665 208 G HA3 0.259 4.219 3.960 -0.000 0.000 0.665 208 G C -3.461 171.569 174.900 0.217 0.000 1.411 208 G CA -1.277 43.980 45.100 0.262 0.000 0.889 208 G HN 0.438 nan 8.290 nan 0.000 0.651 209 P HA 0.735 nan 4.420 nan 0.000 0.278 209 P C 0.483 177.916 177.300 0.222 0.000 1.266 209 P CA 0.389 63.584 63.100 0.159 0.000 0.807 209 P CB 2.062 33.833 31.700 0.118 0.000 1.094 210 G N 0.170 109.050 108.800 0.133 0.000 2.451 210 G HA2 0.362 4.322 3.960 -0.000 0.000 0.292 210 G HA3 0.362 4.322 3.960 -0.000 0.000 0.292 210 G C -0.853 174.086 174.900 0.066 0.000 1.427 210 G CA -0.760 44.421 45.100 0.135 0.000 0.792 210 G HN 0.764 nan 8.290 nan 0.000 0.498 211 N N -0.370 118.374 118.700 0.073 0.000 2.262 211 N HA 0.444 5.184 4.740 -0.000 0.000 0.260 211 N C 1.811 177.314 175.510 -0.012 0.000 1.305 211 N CA 0.713 53.797 53.050 0.056 0.000 0.913 211 N CB 0.068 38.624 38.487 0.115 0.000 1.116 211 N HN 1.001 nan 8.380 nan 0.000 0.512 212 A N -0.799 121.972 122.820 -0.081 0.000 1.908 212 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 212 A C 2.014 179.406 177.584 -0.319 0.000 1.181 212 A CA 1.274 53.159 52.037 -0.253 0.000 0.627 212 A CB -1.187 17.560 19.000 -0.422 0.000 0.818 212 A HN 0.589 nan 8.150 nan 0.000 0.445 213 F N -0.229 119.648 119.950 -0.122 0.000 2.113 213 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 213 F C 2.445 178.139 175.800 -0.176 0.000 1.103 213 F CA 1.404 59.312 58.000 -0.153 0.000 1.248 213 F CB -0.798 38.079 39.000 -0.205 0.000 0.999 213 F HN 0.018 nan 8.300 nan 0.000 0.475 214 V N -0.395 119.504 119.914 -0.025 0.000 2.287 214 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 214 V C 2.299 178.299 176.094 -0.156 0.000 1.053 214 V CA 2.466 64.649 62.300 -0.195 0.000 1.027 214 V CB -1.133 30.498 31.823 -0.320 0.000 0.646 214 V HN 0.393 nan 8.190 nan 0.000 0.447 215 T N -0.528 113.958 114.554 -0.113 0.000 2.746 215 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 215 T C 1.942 176.575 174.700 -0.113 0.000 1.039 215 T CA 1.861 63.899 62.100 -0.103 0.000 1.142 215 T CB -0.226 68.592 68.868 -0.084 0.000 0.866 215 T HN 0.521 nan 8.240 nan 0.000 0.444 216 E N 1.407 121.534 120.200 -0.122 0.000 2.106 216 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 216 E C 2.181 178.730 176.600 -0.084 0.000 0.984 216 E CA 1.238 57.573 56.400 -0.109 0.000 0.806 216 E CB -0.546 29.078 29.700 -0.128 0.000 0.750 216 E HN 0.425 nan 8.360 nan 0.000 0.458 217 A N 0.803 123.573 122.820 -0.084 0.000 1.902 217 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 217 A C 2.091 179.609 177.584 -0.110 0.000 1.181 217 A CA 1.779 53.766 52.037 -0.083 0.000 0.623 217 A CB -0.426 18.513 19.000 -0.102 0.000 0.818 217 A HN 0.205 nan 8.150 nan 0.000 0.443 218 K N -0.908 119.415 120.400 -0.128 0.000 2.057 218 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 218 K C 2.402 178.929 176.600 -0.122 0.000 1.049 218 K CA 1.372 57.578 56.287 -0.135 0.000 0.931 218 K CB -0.172 32.248 32.500 -0.134 0.000 0.714 218 K HN 0.428 nan 8.250 nan 0.000 0.440 219 R N 1.300 121.735 120.500 -0.108 0.000 2.081 219 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 219 R C 2.177 178.431 176.300 -0.077 0.000 1.131 219 R CA 1.579 57.621 56.100 -0.097 0.000 0.960 219 R CB 0.027 30.272 30.300 -0.091 0.000 0.856 219 R HN 0.287 nan 8.270 nan 0.000 0.436 220 Q N -0.128 119.634 119.800 -0.062 0.000 2.050 220 Q HA -0.126 4.213 4.340 -0.000 0.000 0.202 220 Q C 2.141 178.125 176.000 -0.027 0.000 0.980 220 Q CA 1.929 57.713 55.803 -0.031 0.000 0.840 220 Q CB -0.058 28.677 28.738 -0.006 0.000 0.898 220 Q HN 0.386 nan 8.270 nan 0.000 0.424 221 V N -1.192 118.683 119.914 -0.065 0.000 2.759 221 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 221 V C 2.141 178.185 176.094 -0.084 0.000 1.080 221 V CA 1.735 63.980 62.300 -0.091 0.000 1.101 221 V CB -0.681 31.004 31.823 -0.229 0.000 0.698 221 V HN 0.332 nan 8.190 nan 0.000 0.477 222 S N -0.506 115.139 115.700 -0.092 0.000 2.461 222 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 222 S C 1.835 176.398 174.600 -0.062 0.000 1.005 222 S CA 0.778 58.922 58.200 -0.093 0.000 0.942 222 S CB -0.351 62.779 63.200 -0.116 0.000 0.776 222 S HN 0.629 nan 8.310 nan 0.000 0.514 223 Q N 0.598 120.372 119.800 -0.043 0.000 2.319 223 Q HA 0.309 4.649 4.340 -0.000 0.000 0.202 223 Q C 0.064 176.063 176.000 -0.003 0.000 0.896 223 Q CA 0.208 55.996 55.803 -0.026 0.000 0.942 223 Q CB 0.265 28.988 28.738 -0.025 0.000 1.083 223 Q HN 0.603 nan 8.270 nan 0.000 0.510 224 R N 0.985 121.493 120.500 0.014 0.000 2.368 224 R HA 0.213 4.553 4.340 -0.000 0.000 0.302 224 R C 1.134 177.462 176.300 0.045 0.000 1.002 224 R CA -0.322 55.807 56.100 0.047 0.000 0.929 224 R CB 0.819 31.185 30.300 0.111 0.000 1.073 224 R HN -0.043 nan 8.270 nan 0.000 0.464 225 L N 0.370 121.619 121.223 0.042 0.000 2.217 225 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 225 L C 1.161 178.068 176.870 0.062 0.000 1.107 225 L CA 1.234 56.096 54.840 0.036 0.000 0.783 225 L CB -0.567 41.506 42.059 0.023 0.000 0.919 225 L HN 0.574 nan 8.230 nan 0.000 0.442 226 D N -0.347 120.114 120.400 0.103 0.000 2.325 226 D HA 0.172 4.812 4.640 -0.000 0.000 0.234 226 D C 1.050 177.530 176.300 0.301 0.000 1.122 226 D CA 0.418 54.515 54.000 0.162 0.000 0.850 226 D CB -0.297 40.568 40.800 0.107 0.000 0.921 226 D HN 0.314 nan 8.370 nan 0.000 0.513 227 G N -0.464 108.435 108.800 0.165 0.000 3.019 227 G HA2 0.689 4.649 3.960 -0.000 0.000 0.152 227 G HA3 0.689 4.649 3.960 -0.000 0.000 0.152 227 G C -0.879 173.993 174.900 -0.047 0.000 1.320 227 G CA -0.302 44.817 45.100 0.032 0.000 1.013 227 G HN 0.415 nan 8.290 nan 0.000 0.593 228 A N -1.935 120.820 122.820 -0.108 0.000 2.556 228 A HA 0.838 5.158 4.320 -0.000 0.000 0.294 228 A C -0.073 177.441 177.584 -0.117 0.000 1.091 228 A CA 0.105 52.081 52.037 -0.102 0.000 0.704 228 A CB 1.124 20.050 19.000 -0.123 0.000 1.300 228 A HN 1.807 nan 8.150 nan 0.000 0.406 229 A N 0.445 123.193 122.820 -0.121 0.000 2.332 229 A HA 0.682 5.002 4.320 -0.000 0.000 0.258 229 A C 0.242 177.683 177.584 -0.238 0.000 1.087 229 A CA 0.045 51.987 52.037 -0.159 0.000 0.802 229 A CB -0.217 18.694 19.000 -0.149 0.000 1.042 229 A HN 1.617 nan 8.150 nan 0.000 0.489 230 I N -1.559 118.846 120.570 -0.276 0.000 3.067 230 I HA 0.583 4.753 4.170 -0.000 0.000 0.312 230 I C -0.395 175.434 176.117 -0.479 0.000 1.073 230 I CA -1.209 59.871 61.300 -0.366 0.000 1.016 230 I CB 1.755 39.599 38.000 -0.259 0.000 1.227 230 I HN 0.680 nan 8.210 nan 0.000 0.456 234 A N 0.888 123.710 122.820 0.004 0.000 2.331 234 A HA 0.780 5.100 4.320 -0.000 0.000 0.283 234 A C 0.478 178.131 177.584 0.115 0.000 1.142 234 A CA 0.439 52.508 52.037 0.053 0.000 0.812 234 A CB 0.810 19.839 19.000 0.048 0.000 1.074 234 A HN 0.875 nan 8.150 nan 0.000 0.497 235 G N 1.126 110.006 108.800 0.134 0.000 2.680 235 G HA2 0.681 4.641 3.960 -0.000 0.000 0.290 235 G HA3 0.681 4.641 3.960 -0.000 0.000 0.290 235 G C -3.191 171.738 174.900 0.048 0.000 1.355 235 G CA -1.401 43.825 45.100 0.209 0.000 0.903 235 G HN 0.552 nan 8.290 nan 0.000 0.474 236 P HA 0.237 nan 4.420 nan 0.000 0.268 236 P C 0.304 177.556 177.300 -0.080 0.000 1.205 236 P CA -0.179 62.901 63.100 -0.034 0.000 0.771 236 P CB 1.029 32.726 31.700 -0.005 0.000 0.858 237 S N 1.784 117.414 115.700 -0.115 0.000 2.552 237 S HA 0.063 4.533 4.470 -0.000 0.000 0.289 237 S C -0.156 174.457 174.600 0.022 0.000 1.304 237 S CA -0.079 58.083 58.200 -0.064 0.000 1.063 237 S CB -0.303 62.767 63.200 -0.216 0.000 0.848 237 S HN 0.366 nan 8.310 nan 0.000 0.499 238 E N 1.941 122.206 120.200 0.108 0.000 2.343 238 E HA 0.715 5.065 4.350 -0.000 0.000 0.270 238 E C -1.489 175.231 176.600 0.200 0.000 0.895 238 E CA -1.022 55.445 56.400 0.112 0.000 0.767 238 E CB 2.141 31.896 29.700 0.092 0.000 1.248 238 E HN 0.353 nan 8.360 nan 0.000 0.440 239 V N 2.643 122.629 119.914 0.118 0.000 2.851 239 V HA 0.511 4.631 4.120 -0.000 0.000 0.307 239 V C -1.849 174.275 176.094 0.049 0.000 1.129 239 V CA -0.682 61.675 62.300 0.094 0.000 0.932 239 V CB 1.886 33.690 31.823 -0.032 0.000 1.024 239 V HN 0.660 nan 8.190 nan 0.000 0.426 240 L N 6.687 127.947 121.223 0.063 0.000 2.356 240 L HA 0.820 5.160 4.340 -0.000 0.000 0.277 240 L C -1.253 175.610 176.870 -0.011 0.000 0.996 240 L CA -0.409 54.424 54.840 -0.013 0.000 0.822 240 L CB 1.921 43.980 42.059 -0.000 0.000 1.256 240 L HN 0.554 nan 8.230 nan 0.000 0.413 241 V N 6.089 125.974 119.914 -0.049 0.000 2.459 241 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 241 V C 0.027 176.089 176.094 -0.053 0.000 1.029 241 V CA -0.430 61.846 62.300 -0.040 0.000 0.874 241 V CB 1.833 33.625 31.823 -0.052 0.000 0.985 241 V HN 0.585 nan 8.190 nan 0.000 0.438 242 I N 3.881 124.428 120.570 -0.038 0.000 2.339 242 I HA 0.735 4.905 4.170 -0.000 0.000 0.290 242 I C 0.181 176.272 176.117 -0.043 0.000 0.994 242 I CA -0.316 60.954 61.300 -0.050 0.000 1.191 242 I CB 1.677 39.653 38.000 -0.041 0.000 1.343 242 I HN 0.721 nan 8.210 nan 0.000 0.458 243 A N 5.319 128.108 122.820 -0.051 0.000 2.356 243 A HA 0.673 4.993 4.320 -0.000 0.000 0.310 243 A C -0.976 176.580 177.584 -0.046 0.000 1.075 243 A CA -0.703 51.306 52.037 -0.047 0.000 0.746 243 A CB 1.188 20.158 19.000 -0.051 0.000 1.221 243 A HN 0.711 nan 8.150 nan 0.000 0.443 244 D N 0.738 121.113 120.400 -0.042 0.000 2.539 244 D HA 0.317 4.957 4.640 -0.000 0.000 0.276 244 D C 1.189 177.465 176.300 -0.040 0.000 1.206 244 D CA 0.164 54.141 54.000 -0.037 0.000 1.081 244 D CB 0.113 40.896 40.800 -0.029 0.000 1.142 244 D HN 0.356 nan 8.370 nan 0.000 0.595 245 S N -1.976 113.704 115.700 -0.034 0.000 2.500 245 S HA 0.011 4.481 4.470 -0.000 0.000 0.239 245 S C 1.793 176.366 174.600 -0.044 0.000 0.989 245 S CA 0.478 58.656 58.200 -0.036 0.000 0.951 245 S CB -0.844 62.340 63.200 -0.027 0.000 0.759 245 S HN 0.714 nan 8.310 nan 0.000 0.523 246 G N 0.600 109.374 108.800 -0.044 0.000 3.042 246 G HA2 0.513 4.473 3.960 -0.000 0.000 0.212 246 G HA3 0.513 4.473 3.960 -0.000 0.000 0.212 246 G C 0.437 175.288 174.900 -0.081 0.000 1.166 246 G CA 0.099 45.168 45.100 -0.051 0.000 0.767 246 G HN 0.745 nan 8.290 nan 0.000 0.546 247 A N 0.008 122.775 122.820 -0.088 0.000 2.366 247 A HA 0.567 4.887 4.320 -0.000 0.000 0.249 247 A C 0.312 177.785 177.584 -0.185 0.000 1.084 247 A CA 0.151 52.115 52.037 -0.122 0.000 0.794 247 A CB 0.315 19.262 19.000 -0.089 0.000 1.034 247 A HN 0.087 nan 8.150 nan 0.000 0.491 248 T N 3.560 117.935 114.554 -0.299 0.000 2.753 248 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 248 T C -1.881 172.643 174.700 -0.294 0.000 0.981 248 T CA -0.785 61.041 62.100 -0.457 0.000 0.956 248 T CB 1.242 69.444 68.868 -1.110 0.000 0.936 248 T HN 0.430 nan 8.240 nan 0.000 0.463 249 P HA -0.145 nan 4.420 nan 0.000 0.216 249 P C 1.253 178.518 177.300 -0.060 0.000 1.154 249 P CA 1.026 64.067 63.100 -0.097 0.000 0.865 249 P CB 0.236 31.892 31.700 -0.073 0.000 0.789 250 D N -1.884 118.473 120.400 -0.072 0.000 2.178 250 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 250 D C 1.741 178.150 176.300 0.182 0.000 0.980 250 D CA 0.991 55.013 54.000 0.036 0.000 0.842 250 D CB -0.460 40.373 40.800 0.055 0.000 0.948 250 D HN 0.110 nan 8.370 nan 0.000 0.472 251 F N 0.833 120.732 119.950 -0.084 0.000 2.146 251 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 251 F C 2.546 178.277 175.800 -0.114 0.000 1.096 251 F CA 0.052 57.985 58.000 -0.112 0.000 1.275 251 F CB -1.208 37.687 39.000 -0.175 0.000 1.008 251 F HN -0.168 nan 8.300 nan 0.000 0.480 252 V N 0.396 120.365 119.914 0.091 0.000 2.255 252 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 252 V C 2.705 178.785 176.094 -0.023 0.000 1.051 252 V CA 1.898 64.199 62.300 0.003 0.000 1.018 252 V CB -1.453 30.354 31.823 -0.026 0.000 0.641 252 V HN 0.321 nan 8.190 nan 0.000 0.445 253 A N 0.670 123.480 122.820 -0.016 0.000 1.908 253 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 253 A C 2.552 180.103 177.584 -0.056 0.000 1.181 253 A CA 2.512 54.524 52.037 -0.042 0.000 0.627 253 A CB -0.822 18.162 19.000 -0.027 0.000 0.818 253 A HN 0.712 nan 8.150 nan 0.000 0.445 254 S N -0.099 115.586 115.700 -0.027 0.000 2.402 254 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 254 S C 1.385 175.931 174.600 -0.090 0.000 1.021 254 S CA 1.373 59.543 58.200 -0.050 0.000 0.974 254 S CB -0.428 62.757 63.200 -0.025 0.000 0.800 254 S HN 0.526 nan 8.310 nan 0.000 0.484 255 D N 1.920 122.263 120.400 -0.095 0.000 2.123 255 D HA 0.066 4.706 4.640 -0.000 0.000 0.200 255 D C 2.066 178.283 176.300 -0.139 0.000 0.976 255 D CA 0.911 54.827 54.000 -0.141 0.000 0.831 255 D CB -0.414 40.296 40.800 -0.149 0.000 0.974 255 D HN 0.375 nan 8.370 nan 0.000 0.469 256 L N 0.443 121.597 121.223 -0.115 0.000 2.012 256 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 256 L C 2.615 179.407 176.870 -0.129 0.000 1.073 256 L CA 0.841 55.611 54.840 -0.117 0.000 0.748 256 L CB -0.431 41.558 42.059 -0.116 0.000 0.891 256 L HN 0.026 nan 8.230 nan 0.000 0.431 257 L N -0.409 120.734 121.223 -0.134 0.000 2.141 257 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 257 L C 2.910 179.698 176.870 -0.136 0.000 1.094 257 L CA 1.333 56.090 54.840 -0.138 0.000 0.763 257 L CB -0.576 41.406 42.059 -0.128 0.000 0.908 257 L HN 0.415 nan 8.230 nan 0.000 0.437 258 S N -0.673 114.942 115.700 -0.141 0.000 2.383 258 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 258 S C 1.872 176.356 174.600 -0.193 0.000 1.030 258 S CA 1.014 59.114 58.200 -0.167 0.000 1.002 258 S CB -0.228 62.873 63.200 -0.165 0.000 0.829 258 S HN 0.423 nan 8.310 nan 0.000 0.467 259 Q N 0.905 120.624 119.800 -0.135 0.000 2.339 259 Q HA 0.408 4.747 4.340 -0.000 0.000 0.205 259 Q C 2.475 178.472 176.000 -0.006 0.000 0.925 259 Q CA 1.076 56.861 55.803 -0.029 0.000 0.898 259 Q CB -0.927 27.791 28.738 -0.033 0.000 1.013 259 Q HN 0.686 nan 8.270 nan 0.000 0.504 260 A N 2.059 124.841 122.820 -0.063 0.000 1.972 260 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 260 A C 1.973 179.529 177.584 -0.048 0.000 1.169 260 A CA 1.667 53.671 52.037 -0.055 0.000 0.635 260 A CB -0.457 18.482 19.000 -0.102 0.000 0.810 260 A HN 0.544 nan 8.150 nan 0.000 0.446 261 E N -1.328 118.814 120.200 -0.096 0.000 2.418 261 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 261 E C 1.475 178.027 176.600 -0.079 0.000 1.026 261 E CA 0.833 57.173 56.400 -0.100 0.000 0.862 261 E CB -0.519 29.096 29.700 -0.141 0.000 0.799 261 E HN 0.696 nan 8.360 nan 0.000 0.518 262 H N 1.087 120.129 119.070 -0.048 0.000 2.387 262 H HA 0.081 4.637 4.556 -0.000 0.000 0.299 262 H C 1.059 176.377 175.328 -0.017 0.000 1.099 262 H CA 1.562 57.587 56.048 -0.039 0.000 1.315 262 H CB 0.300 30.029 29.762 -0.055 0.000 1.380 262 H HN 0.385 nan 8.280 nan 0.000 0.513 263 G N -1.520 107.347 108.800 0.112 0.000 2.368 263 G HA2 0.090 4.050 3.960 -0.000 0.000 0.293 263 G HA3 0.090 4.050 3.960 -0.000 0.000 0.293 263 G C -2.182 172.749 174.900 0.051 0.000 1.467 263 G CA -0.425 44.718 45.100 0.072 0.000 0.804 263 G HN -0.189 nan 8.290 nan 0.000 0.535 264 P HA 0.012 nan 4.420 nan 0.000 0.222 264 P C 0.219 177.544 177.300 0.042 0.000 1.147 264 P CA 1.097 64.221 63.100 0.040 0.000 0.790 264 P CB 0.357 32.080 31.700 0.039 0.000 0.780 265 D N -0.916 119.512 120.400 0.046 0.000 2.363 265 D HA 0.094 4.734 4.640 -0.000 0.000 0.214 265 D C 0.413 176.733 176.300 0.034 0.000 1.093 265 D CA 0.157 54.187 54.000 0.050 0.000 0.837 265 D CB 0.138 40.980 40.800 0.069 0.000 0.948 265 D HN 0.063 nan 8.370 nan 0.000 0.507 266 S N 0.687 116.405 115.700 0.030 0.000 2.572 266 S HA 0.138 4.608 4.470 -0.000 0.000 0.279 266 S C 0.128 174.737 174.600 0.016 0.000 1.341 266 S CA -0.126 58.085 58.200 0.018 0.000 1.043 266 S CB 1.500 64.724 63.200 0.041 0.000 0.887 266 S HN 0.179 nan 8.310 nan 0.000 0.516 267 Q N 1.683 121.493 119.800 0.017 0.000 2.337 267 Q HA 0.637 4.977 4.340 -0.000 0.000 0.270 267 Q C -1.356 174.658 176.000 0.023 0.000 1.043 267 Q CA -0.765 55.056 55.803 0.031 0.000 0.794 267 Q CB 1.473 30.255 28.738 0.073 0.000 1.281 267 Q HN 0.574 nan 8.270 nan 0.000 0.446 268 V N 1.673 121.576 119.914 -0.017 0.000 2.735 268 V HA 0.777 4.897 4.120 -0.000 0.000 0.310 268 V C -0.884 175.160 176.094 -0.083 0.000 1.061 268 V CA -0.644 61.629 62.300 -0.045 0.000 0.913 268 V CB 1.734 33.518 31.823 -0.065 0.000 1.005 268 V HN 0.821 nan 8.190 nan 0.000 0.428 269 I N 4.484 124.982 120.570 -0.118 0.000 2.619 269 I HA 0.554 4.724 4.170 -0.000 0.000 0.292 269 I C -1.277 174.761 176.117 -0.132 0.000 1.100 269 I CA -0.780 60.422 61.300 -0.163 0.000 1.043 269 I CB 2.251 40.055 38.000 -0.327 0.000 1.239 269 I HN 0.683 nan 8.210 nan 0.000 0.420 270 L N 7.255 128.413 121.223 -0.109 0.000 2.322 270 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 270 L C -1.581 175.222 176.870 -0.113 0.000 1.014 270 L CA -0.172 54.613 54.840 -0.092 0.000 0.815 270 L CB 1.429 43.452 42.059 -0.060 0.000 1.247 270 L HN 0.438 nan 8.230 nan 0.000 0.421 271 L N 4.849 125.998 121.223 -0.123 0.000 2.349 271 L HA 0.702 5.042 4.340 -0.000 0.000 0.278 271 L C -0.349 176.456 176.870 -0.108 0.000 0.996 271 L CA -0.373 54.376 54.840 -0.151 0.000 0.825 271 L CB 1.914 43.853 42.059 -0.201 0.000 1.243 271 L HN 0.724 nan 8.230 nan 0.000 0.412 272 T N 2.350 116.849 114.554 -0.091 0.000 2.932 272 T HA 0.473 4.823 4.350 -0.000 0.000 0.318 272 T C -2.522 172.146 174.700 -0.053 0.000 1.265 272 T CA -1.197 60.865 62.100 -0.065 0.000 1.036 272 T CB 2.325 71.165 68.868 -0.048 0.000 1.209 272 T HN 0.233 nan 8.240 nan 0.000 0.484 273 P HA 0.342 nan 4.420 nan 0.000 0.249 273 P C -0.492 176.799 177.300 -0.014 0.000 1.229 273 P CA 0.026 63.110 63.100 -0.027 0.000 0.788 273 P CB 0.248 31.933 31.700 -0.026 0.000 1.072 274 A N -0.071 122.738 122.820 -0.017 0.000 2.291 274 A HA 0.646 4.966 4.320 -0.000 0.000 0.311 274 A C 1.385 178.964 177.584 -0.008 0.000 1.224 274 A CA -0.215 51.815 52.037 -0.012 0.000 0.821 274 A CB 0.996 19.986 19.000 -0.018 0.000 1.172 274 A HN 0.036 nan 8.150 nan 0.000 0.494 275 A N 2.353 125.173 122.820 -0.001 0.000 1.933 275 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 275 A C 1.118 178.701 177.584 -0.002 0.000 1.175 275 A CA 1.802 53.840 52.037 0.003 0.000 0.628 275 A CB -0.690 18.315 19.000 0.007 0.000 0.814 275 A HN 0.907 nan 8.150 nan 0.000 0.444 279 R N 0.548 121.054 120.500 0.009 0.000 2.081 279 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 279 R C 2.188 178.497 176.300 0.015 0.000 1.131 279 R CA 1.873 57.981 56.100 0.014 0.000 0.960 279 R CB -0.190 30.114 30.300 0.005 0.000 0.856 279 R HN 0.544 nan 8.270 nan 0.000 0.436 280 R N -0.516 119.985 120.500 0.002 0.000 2.092 280 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 280 R C 2.229 178.530 176.300 0.001 0.000 1.119 280 R CA 1.262 57.359 56.100 -0.004 0.000 0.970 280 R CB -0.109 30.178 30.300 -0.021 0.000 0.864 280 R HN 0.096 nan 8.270 nan 0.000 0.440 281 V N 0.727 120.641 119.914 0.001 0.000 2.379 281 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 281 V C 2.352 178.467 176.094 0.035 0.000 1.044 281 V CA 1.891 64.192 62.300 0.002 0.000 1.036 281 V CB -0.545 31.271 31.823 -0.011 0.000 0.664 281 V HN 0.397 nan 8.190 nan 0.000 0.453 282 A N -0.121 122.740 122.820 0.069 0.000 1.902 282 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 282 A C 2.142 179.823 177.584 0.162 0.000 1.181 282 A CA 1.951 54.083 52.037 0.157 0.000 0.623 282 A CB -0.430 18.659 19.000 0.148 0.000 0.818 282 A HN 0.648 nan 8.150 nan 0.000 0.443 283 E N -0.179 120.073 120.200 0.087 0.000 2.072 283 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 283 E C 2.317 178.955 176.600 0.063 0.000 0.985 283 E CA 0.891 57.334 56.400 0.072 0.000 0.801 283 E CB -0.309 29.412 29.700 0.036 0.000 0.750 283 E HN 0.609 nan 8.360 nan 0.000 0.452 284 A N 1.123 123.965 122.820 0.038 0.000 1.902 284 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 284 A C 2.526 180.118 177.584 0.014 0.000 1.181 284 A CA 1.169 53.218 52.037 0.020 0.000 0.623 284 A CB -0.708 18.293 19.000 0.002 0.000 0.818 284 A HN 0.115 nan 8.150 nan 0.000 0.443 285 V N 0.107 120.025 119.914 0.007 0.000 2.295 285 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 285 V C 2.555 178.637 176.094 -0.020 0.000 1.049 285 V CA 2.394 64.653 62.300 -0.069 0.000 1.024 285 V CB -0.733 30.972 31.823 -0.197 0.000 0.648 285 V HN 0.807 nan 8.190 nan 0.000 0.447 286 E N 0.833 121.117 120.200 0.140 0.000 2.085 286 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 286 E C 2.431 179.090 176.600 0.099 0.000 0.994 286 E CA 1.772 58.301 56.400 0.216 0.000 0.801 286 E CB -0.128 29.721 29.700 0.248 0.000 0.743 286 E HN 0.722 nan 8.360 nan 0.000 0.453 287 R N -0.017 120.521 120.500 0.062 0.000 2.115 287 R HA -0.089 4.251 4.340 -0.000 0.000 0.226 287 R C 2.151 178.463 176.300 0.020 0.000 1.100 287 R CA 1.294 57.417 56.100 0.038 0.000 0.980 287 R CB -0.334 29.984 30.300 0.030 0.000 0.875 287 R HN 0.218 nan 8.270 nan 0.000 0.445 288 Q N 0.735 120.539 119.800 0.007 0.000 2.172 288 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 288 Q C 2.120 178.107 176.000 -0.021 0.000 0.964 288 Q CA 0.939 56.736 55.803 -0.010 0.000 0.855 288 Q CB -0.048 28.677 28.738 -0.022 0.000 0.918 288 Q HN 0.237 nan 8.270 nan 0.000 0.444 289 L N 0.879 122.086 121.223 -0.027 0.000 2.042 289 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 289 L C 2.134 179.001 176.870 -0.004 0.000 1.076 289 L CA 2.095 56.914 54.840 -0.034 0.000 0.749 289 L CB -0.739 41.299 42.059 -0.036 0.000 0.893 289 L HN 0.114 nan 8.230 nan 0.000 0.432 290 A N -0.950 121.880 122.820 0.016 0.000 2.076 290 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 290 A C 1.973 179.562 177.584 0.009 0.000 1.160 290 A CA 1.733 53.782 52.037 0.020 0.000 0.653 290 A CB -0.580 18.436 19.000 0.027 0.000 0.801 290 A HN 0.694 nan 8.150 nan 0.000 0.455 291 E N -0.657 119.544 120.200 0.001 0.000 2.479 291 E HA 0.195 4.545 4.350 -0.000 0.000 0.193 291 E C -0.457 176.138 176.600 -0.009 0.000 1.049 291 E CA -0.235 56.164 56.400 -0.002 0.000 0.870 291 E CB 0.074 29.772 29.700 -0.003 0.000 0.944 291 E HN 0.526 nan 8.360 nan 0.000 0.492 292 L N 1.791 123.006 121.223 -0.014 0.000 2.292 292 L HA 0.178 4.518 4.340 -0.000 0.000 0.284 292 L C -1.576 175.285 176.870 -0.015 0.000 1.065 292 L CA -1.762 53.065 54.840 -0.022 0.000 0.806 292 L CB 1.032 43.070 42.059 -0.035 0.000 1.175 292 L HN -0.213 nan 8.230 nan 0.000 0.431 293 P HA -0.097 nan 4.420 nan 0.000 0.216 293 P C 0.651 177.946 177.300 -0.008 0.000 1.150 293 P CA 1.260 64.355 63.100 -0.008 0.000 0.837 293 P CB 0.182 31.877 31.700 -0.008 0.000 0.786 294 R N -0.722 119.768 120.500 -0.017 0.000 2.555 294 R HA 0.326 4.666 4.340 -0.000 0.000 0.272 294 R C 1.646 177.936 176.300 -0.017 0.000 1.089 294 R CA 0.061 56.152 56.100 -0.016 0.000 1.126 294 R CB -0.338 29.945 30.300 -0.029 0.000 1.250 294 R HN 0.108 nan 8.270 nan 0.000 0.551 295 A N 1.310 124.123 122.820 -0.011 0.000 1.978 295 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 295 A C 2.038 179.625 177.584 0.004 0.000 1.170 295 A CA 1.488 53.521 52.037 -0.008 0.000 0.636 295 A CB -0.201 18.801 19.000 0.003 0.000 0.810 295 A HN 0.469 nan 8.150 nan 0.000 0.448 296 E N -0.815 119.392 120.200 0.011 0.000 2.031 296 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 296 E C 2.014 178.625 176.600 0.019 0.000 0.994 296 E CA 1.758 58.170 56.400 0.020 0.000 0.800 296 E CB -0.156 29.556 29.700 0.020 0.000 0.752 296 E HN 0.573 nan 8.360 nan 0.000 0.447 297 T N 0.620 115.181 114.554 0.012 0.000 2.708 297 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 297 T C 1.855 176.557 174.700 0.003 0.000 1.037 297 T CA 1.314 63.422 62.100 0.013 0.000 1.146 297 T CB -0.318 68.556 68.868 0.010 0.000 0.865 297 T HN 0.329 nan 8.240 nan 0.000 0.435 298 A N 1.587 124.397 122.820 -0.017 0.000 1.902 298 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 298 A C 2.294 179.854 177.584 -0.041 0.000 1.181 298 A CA 1.821 53.831 52.037 -0.045 0.000 0.623 298 A CB -0.629 18.326 19.000 -0.077 0.000 0.818 298 A HN 0.409 nan 8.150 nan 0.000 0.443 299 R N -0.511 119.986 120.500 -0.006 0.000 2.091 299 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 299 R C 2.384 178.724 176.300 0.066 0.000 1.136 299 R CA 2.017 58.147 56.100 0.050 0.000 0.959 299 R CB -0.292 30.059 30.300 0.087 0.000 0.856 299 R HN 0.718 nan 8.270 nan 0.000 0.437 300 Q N -0.652 119.175 119.800 0.045 0.000 2.050 300 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 300 Q C 2.152 178.177 176.000 0.043 0.000 0.980 300 Q CA 1.748 57.580 55.803 0.048 0.000 0.840 300 Q CB -0.141 28.620 28.738 0.039 0.000 0.898 300 Q HN 0.446 nan 8.270 nan 0.000 0.424 301 A N 0.746 123.580 122.820 0.023 0.000 1.940 301 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 301 A C 1.986 179.578 177.584 0.013 0.000 1.176 301 A CA 1.107 53.153 52.037 0.016 0.000 0.631 301 A CB -0.665 18.333 19.000 -0.003 0.000 0.814 301 A HN 0.323 nan 8.150 nan 0.000 0.446 302 L N -0.076 121.147 121.223 0.001 0.000 2.362 302 L HA -0.149 4.191 4.340 -0.000 0.000 0.219 302 L C 1.964 178.916 176.870 0.136 0.000 1.134 302 L CA 0.450 55.296 54.840 0.009 0.000 0.807 302 L CB -0.590 41.385 42.059 -0.140 0.000 0.927 302 L HN 0.373 nan 8.230 nan 0.000 0.447 303 N N 0.662 119.435 118.700 0.121 0.000 2.223 303 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 303 N C 1.631 177.193 175.510 0.087 0.000 1.016 303 N CA 1.497 54.615 53.050 0.113 0.000 0.863 303 N CB 0.013 38.549 38.487 0.081 0.000 0.983 303 N HN 0.320 nan 8.380 nan 0.000 0.429 304 A N 0.295 123.157 122.820 0.070 0.000 2.308 304 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 304 A C 0.922 178.536 177.584 0.051 0.000 1.216 304 A CA -0.236 51.837 52.037 0.060 0.000 0.864 304 A CB -0.136 18.898 19.000 0.057 0.000 0.902 304 A HN 0.284 nan 8.150 nan 0.000 0.499 305 S N 0.376 116.108 115.700 0.053 0.000 2.603 305 S HA 0.649 5.119 4.470 -0.000 0.000 0.268 305 S C -0.159 174.466 174.600 0.041 0.000 1.317 305 S CA -0.511 57.705 58.200 0.027 0.000 1.012 305 S CB 0.936 64.140 63.200 0.007 0.000 0.926 305 S HN 0.304 nan 8.310 nan 0.000 0.539 306 R N 1.032 121.534 120.500 0.003 0.000 2.574 306 R HA 0.442 4.782 4.340 -0.000 0.000 0.288 306 R C -1.416 174.886 176.300 0.002 0.000 1.004 306 R CA -0.486 55.623 56.100 0.015 0.000 0.895 306 R CB 1.230 31.526 30.300 -0.007 0.000 1.191 306 R HN 0.717 nan 8.270 nan 0.000 0.444 307 L N 4.959 126.203 121.223 0.035 0.000 2.295 307 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 307 L C -0.154 176.731 176.870 0.025 0.000 1.018 307 L CA -0.463 54.390 54.840 0.022 0.000 0.841 307 L CB 0.998 43.089 42.059 0.053 0.000 1.218 307 L HN 0.424 nan 8.230 nan 0.000 0.424 308 I N 3.630 124.198 120.570 -0.005 0.000 2.378 308 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 308 I C -0.295 175.818 176.117 -0.007 0.000 0.992 308 I CA -0.835 60.475 61.300 0.018 0.000 1.154 308 I CB 2.403 40.383 38.000 -0.032 0.000 1.315 308 I HN 0.166 nan 8.210 nan 0.000 0.448 309 V N 5.213 125.155 119.914 0.046 0.000 2.370 309 V HA 0.331 4.451 4.120 -0.000 0.000 0.279 309 V C 0.540 176.665 176.094 0.051 0.000 1.029 309 V CA -0.399 61.919 62.300 0.029 0.000 0.870 309 V CB 1.324 33.172 31.823 0.041 0.000 0.984 309 V HN 0.891 nan 8.190 nan 0.000 0.451 310 T N 1.538 116.081 114.554 -0.019 0.000 2.923 310 T HA 0.415 4.765 4.350 -0.000 0.000 0.281 310 T C 0.954 175.664 174.700 0.016 0.000 0.995 310 T CA -0.505 61.578 62.100 -0.029 0.000 0.985 310 T CB 1.568 70.346 68.868 -0.150 0.000 1.114 310 T HN 0.693 nan 8.240 nan 0.000 0.548 311 K N 0.003 120.425 120.400 0.036 0.000 2.228 311 K HA 0.135 4.455 4.320 -0.000 0.000 0.202 311 K C -0.186 176.420 176.600 0.009 0.000 1.051 311 K CA 0.716 57.024 56.287 0.034 0.000 0.960 311 K CB -0.245 32.286 32.500 0.052 0.000 0.743 311 K HN 0.801 nan 8.250 nan 0.000 0.458 312 D N -1.408 118.987 120.400 -0.009 0.000 2.713 312 D HA 0.079 4.719 4.640 -0.000 0.000 0.306 312 D C 0.529 176.808 176.300 -0.034 0.000 1.299 312 D CA -0.817 53.173 54.000 -0.016 0.000 0.823 312 D CB 0.267 41.064 40.800 -0.005 0.000 1.353 312 D HN -0.101 nan 8.370 nan 0.000 0.447 313 L N 0.022 121.226 121.223 -0.030 0.000 2.083 313 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 313 L C 2.488 179.335 176.870 -0.039 0.000 1.083 313 L CA 1.756 56.573 54.840 -0.038 0.000 0.752 313 L CB -0.596 41.447 42.059 -0.027 0.000 0.899 313 L HN 0.674 nan 8.230 nan 0.000 0.433 314 A N -0.555 122.249 122.820 -0.026 0.000 1.940 314 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 314 A C 2.235 179.798 177.584 -0.035 0.000 1.176 314 A CA 1.972 53.996 52.037 -0.021 0.000 0.631 314 A CB -0.527 18.468 19.000 -0.007 0.000 0.814 314 A HN 0.503 nan 8.150 nan 0.000 0.446 315 Q N -1.081 118.691 119.800 -0.047 0.000 2.230 315 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 315 Q C 2.046 177.951 176.000 -0.159 0.000 0.963 315 Q CA 1.491 57.246 55.803 -0.079 0.000 0.866 315 Q CB -0.338 28.360 28.738 -0.068 0.000 0.931 315 Q HN 0.726 nan 8.270 nan 0.000 0.452 316 C N -0.700 118.513 119.300 -0.145 0.000 2.432 316 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 316 C C 2.549 177.463 174.990 -0.128 0.000 1.249 316 C CA 0.609 59.526 59.018 -0.168 0.000 1.725 316 C CB -0.877 26.792 27.740 -0.118 0.000 2.028 316 C HN 0.393 nan 8.230 nan 0.000 0.477 317 V N 0.902 120.769 119.914 -0.078 0.000 2.343 317 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 317 V C 2.492 178.562 176.094 -0.042 0.000 1.051 317 V CA 2.343 64.616 62.300 -0.046 0.000 1.036 317 V CB -0.803 31.005 31.823 -0.025 0.000 0.654 317 V HN 0.652 nan 8.190 nan 0.000 0.451 318 E N 0.131 120.303 120.200 -0.046 0.000 2.077 318 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 318 E C 2.186 178.766 176.600 -0.034 0.000 0.989 318 E CA 1.715 58.102 56.400 -0.023 0.000 0.800 318 E CB -0.163 29.534 29.700 -0.004 0.000 0.746 318 E HN 0.627 nan 8.360 nan 0.000 0.452 319 I N 0.459 120.956 120.570 -0.122 0.000 2.252 319 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 319 I C 2.725 178.795 176.117 -0.078 0.000 1.102 319 I CA 0.871 62.064 61.300 -0.179 0.000 1.385 319 I CB -0.304 37.388 38.000 -0.514 0.000 1.064 319 I HN 0.138 nan 8.210 nan 0.000 0.414 320 S N 1.118 116.775 115.700 -0.071 0.000 2.356 320 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 320 S C 1.885 176.526 174.600 0.069 0.000 1.032 320 S CA 1.706 59.913 58.200 0.012 0.000 1.005 320 S CB -0.276 62.922 63.200 -0.003 0.000 0.867 320 S HN 0.404 nan 8.310 nan 0.000 0.449 321 N N 0.976 119.697 118.700 0.035 0.000 2.223 321 N HA -0.092 4.648 4.740 -0.000 0.000 0.185 321 N C 1.795 177.336 175.510 0.052 0.000 1.016 321 N CA 1.131 54.205 53.050 0.039 0.000 0.863 321 N CB -0.579 37.923 38.487 0.024 0.000 0.983 321 N HN 0.533 nan 8.380 nan 0.000 0.429 322 Q N -0.033 119.809 119.800 0.069 0.000 2.049 322 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 322 Q C 1.968 178.036 176.000 0.114 0.000 0.971 322 Q CA 1.273 57.128 55.803 0.087 0.000 0.833 322 Q CB -0.541 28.265 28.738 0.113 0.000 0.896 322 Q HN 0.506 nan 8.270 nan 0.000 0.434 323 Y N -0.217 120.082 120.300 -0.001 0.000 2.200 323 Y HA 0.042 4.592 4.550 -0.000 0.000 0.290 323 Y C 0.957 176.849 175.900 -0.013 0.000 1.137 323 Y CA 1.427 59.524 58.100 -0.005 0.000 1.163 323 Y CB -0.102 38.347 38.460 -0.017 0.000 0.988 323 Y HN 0.278 nan 8.280 nan 0.000 0.518 324 G N 2.109 110.926 108.800 0.028 0.000 2.422 324 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.290 324 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.290 324 G C -2.564 172.240 174.900 -0.160 0.000 1.059 324 G CA -0.099 44.960 45.100 -0.068 0.000 1.242 324 G HN 0.431 nan 8.290 nan 0.000 0.520 325 P HA 0.145 nan 4.420 nan 0.000 0.271 325 P C 0.902 178.209 177.300 0.012 0.000 1.216 325 P CA -0.094 63.077 63.100 0.119 0.000 0.771 325 P CB 1.483 33.365 31.700 0.303 0.000 0.864 326 E N 2.840 123.014 120.200 -0.044 0.000 2.058 326 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 326 E C -0.288 176.160 176.600 -0.254 0.000 0.997 326 E CA 1.271 57.573 56.400 -0.164 0.000 0.801 326 E CB -0.032 29.552 29.700 -0.193 0.000 0.746 326 E HN 0.634 nan 8.360 nan 0.000 0.450 327 H N -0.977 118.157 119.070 0.107 0.000 2.529 327 H HA 0.452 5.008 4.556 -0.000 0.000 0.348 327 H C -1.259 174.162 175.328 0.155 0.000 1.079 327 H CA -0.826 55.327 56.048 0.176 0.000 1.198 327 H CB 1.875 31.703 29.762 0.111 0.000 1.521 327 H HN 0.033 nan 8.280 nan 0.000 0.514 328 L N 4.107 125.520 121.223 0.316 0.000 2.381 328 L HA 0.553 4.893 4.340 -0.000 0.000 0.274 328 L C -1.558 175.468 176.870 0.261 0.000 0.988 328 L CA -0.357 54.608 54.840 0.208 0.000 0.824 328 L CB 0.872 43.014 42.059 0.138 0.000 1.263 328 L HN 0.644 nan 8.230 nan 0.000 0.410 329 I N 6.397 127.057 120.570 0.150 0.000 2.389 329 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 329 I C -0.606 175.550 176.117 0.065 0.000 0.999 329 I CA -0.471 60.908 61.300 0.131 0.000 1.129 329 I CB 1.725 39.733 38.000 0.013 0.000 1.288 329 I HN 0.505 nan 8.210 nan 0.000 0.444 330 I N 6.392 127.003 120.570 0.069 0.000 2.337 330 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 330 I C -0.102 176.020 176.117 0.009 0.000 1.041 330 I CA -0.319 60.998 61.300 0.028 0.000 1.199 330 I CB 0.747 38.764 38.000 0.028 0.000 1.370 330 I HN 0.553 nan 8.210 nan 0.000 0.470 331 Q N 5.782 125.575 119.800 -0.013 0.000 2.901 331 Q HA 0.241 4.581 4.340 -0.000 0.000 0.265 331 Q C -0.117 175.862 176.000 -0.035 0.000 1.263 331 Q CA -0.337 55.446 55.803 -0.033 0.000 1.088 331 Q CB 0.820 29.533 28.738 -0.041 0.000 1.339 331 Q HN 0.740 nan 8.270 nan 0.000 0.546 332 T N -3.361 111.179 114.554 -0.024 0.000 2.901 332 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 332 T C 0.888 175.582 174.700 -0.011 0.000 1.084 332 T CA -1.008 61.080 62.100 -0.021 0.000 1.008 332 T CB 1.629 70.488 68.868 -0.016 0.000 1.170 332 T HN 0.131 nan 8.240 nan 0.000 0.509 333 R N 1.323 121.818 120.500 -0.007 0.000 2.152 333 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 333 R C 1.177 177.484 176.300 0.012 0.000 1.117 333 R CA 1.510 57.613 56.100 0.005 0.000 0.981 333 R CB -1.199 29.104 30.300 0.005 0.000 0.870 333 R HN 0.931 nan 8.270 nan 0.000 0.451 334 N N -0.735 117.969 118.700 0.007 0.000 2.467 334 N HA 0.320 5.060 4.740 -0.000 0.000 0.278 334 N C 0.830 176.346 175.510 0.010 0.000 1.306 334 N CA 0.294 53.350 53.050 0.011 0.000 0.905 334 N CB 0.900 39.391 38.487 0.007 0.000 1.236 334 N HN -0.092 nan 8.380 nan 0.000 0.509 335 A N 1.929 124.756 122.820 0.011 0.000 1.884 335 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 335 A C 2.347 179.939 177.584 0.014 0.000 1.197 335 A CA 1.716 53.760 52.037 0.012 0.000 0.637 335 A CB -0.640 18.369 19.000 0.016 0.000 0.827 335 A HN 0.442 nan 8.150 nan 0.000 0.450 336 R N 0.404 120.914 120.500 0.017 0.000 2.103 336 R HA -0.166 4.174 4.340 -0.000 0.000 0.242 336 R C 1.804 178.110 176.300 0.011 0.000 1.142 336 R CA 2.269 58.377 56.100 0.014 0.000 0.960 336 R CB -0.667 29.644 30.300 0.019 0.000 0.858 336 R HN 0.710 nan 8.270 nan 0.000 0.439 337 E N -0.248 119.959 120.200 0.011 0.000 2.338 337 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 337 E C 1.626 178.230 176.600 0.006 0.000 1.007 337 E CA 0.835 57.240 56.400 0.009 0.000 0.849 337 E CB -0.014 29.691 29.700 0.008 0.000 0.774 337 E HN 0.384 nan 8.360 nan 0.000 0.506 338 L N 0.165 121.392 121.223 0.006 0.000 2.418 338 L HA -0.064 4.276 4.340 -0.000 0.000 0.218 338 L C 2.171 179.044 176.870 0.005 0.000 1.125 338 L CA 0.077 54.919 54.840 0.004 0.000 0.835 338 L CB -0.037 42.023 42.059 0.001 0.000 0.953 338 L HN 0.040 nan 8.230 nan 0.000 0.454 339 V N 0.034 119.952 119.914 0.006 0.000 2.324 339 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 339 V C 2.010 178.108 176.094 0.006 0.000 1.060 339 V CA 2.019 64.323 62.300 0.006 0.000 1.042 339 V CB -0.486 31.338 31.823 0.003 0.000 0.650 339 V HN 0.435 nan 8.190 nan 0.000 0.450 340 D N 0.418 120.822 120.400 0.006 0.000 2.221 340 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 340 D C 2.293 178.597 176.300 0.007 0.000 0.982 340 D CA 1.690 55.694 54.000 0.007 0.000 0.857 340 D CB -0.214 40.590 40.800 0.006 0.000 0.934 340 D HN 0.642 nan 8.370 nan 0.000 0.475 341 S N -0.478 115.225 115.700 0.006 0.000 2.593 341 S HA 0.028 4.498 4.470 -0.000 0.000 0.217 341 S C 0.790 175.395 174.600 0.007 0.000 0.966 341 S CA -0.310 57.894 58.200 0.006 0.000 0.914 341 S CB 0.133 63.335 63.200 0.003 0.000 0.776 341 S HN -0.029 nan 8.310 nan 0.000 0.523 342 I N 4.180 124.755 120.570 0.008 0.000 2.379 342 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 342 I C 1.465 177.589 176.117 0.013 0.000 1.063 342 I CA 0.062 61.369 61.300 0.012 0.000 1.351 342 I CB 0.414 38.422 38.000 0.014 0.000 1.410 342 I HN 0.406 nan 8.210 nan 0.000 0.505 343 T N 0.625 115.187 114.554 0.015 0.000 3.001 343 T HA 0.135 4.485 4.350 -0.000 0.000 0.251 343 T C 0.686 175.396 174.700 0.016 0.000 1.040 343 T CA -0.182 61.926 62.100 0.014 0.000 0.985 343 T CB 0.320 69.197 68.868 0.014 0.000 1.011 343 T HN 0.422 nan 8.240 nan 0.000 0.509 344 S N 0.258 115.969 115.700 0.018 0.000 2.737 344 S HA 0.734 5.204 4.470 -0.000 0.000 0.269 344 S C -1.121 173.491 174.600 0.020 0.000 1.150 344 S CA -0.048 58.162 58.200 0.016 0.000 1.077 344 S CB 0.570 63.778 63.200 0.012 0.000 1.075 344 S HN 0.973 nan 8.310 nan 0.000 0.476 345 A N 2.907 125.736 122.820 0.016 0.000 2.583 345 A HA 0.720 5.040 4.320 -0.000 0.000 0.292 345 A C 0.601 178.188 177.584 0.004 0.000 1.045 345 A CA -0.228 51.820 52.037 0.019 0.000 0.672 345 A CB 0.200 19.225 19.000 0.041 0.000 1.283 345 A HN 1.017 nan 8.150 nan 0.000 0.419 346 G N -0.109 108.680 108.800 -0.017 0.000 2.473 346 G HA2 0.396 4.356 3.960 -0.000 0.000 0.212 346 G HA3 0.396 4.356 3.960 -0.000 0.000 0.212 346 G C 0.668 175.556 174.900 -0.021 0.000 1.211 346 G CA 1.262 46.341 45.100 -0.035 0.000 0.813 346 G HN 1.477 nan 8.290 nan 0.000 0.541 347 S N -0.896 114.797 115.700 -0.012 0.000 2.557 347 S HA 0.579 5.049 4.470 -0.000 0.000 0.291 347 S C -1.015 173.596 174.600 0.018 0.000 1.116 347 S CA -0.604 57.582 58.200 -0.024 0.000 0.992 347 S CB 1.720 64.936 63.200 0.027 0.000 1.028 347 S HN 0.145 nan 8.310 nan 0.000 0.484 348 V N 5.115 124.940 119.914 -0.148 0.000 2.483 348 V HA 0.641 4.761 4.120 -0.000 0.000 0.295 348 V C -1.107 174.806 176.094 -0.303 0.000 1.035 348 V CA -0.557 61.706 62.300 -0.060 0.000 0.896 348 V CB 1.123 32.927 31.823 -0.033 0.000 0.986 348 V HN 0.804 nan 8.190 nan 0.000 0.447 349 F N 4.224 124.185 119.950 0.018 0.000 2.507 349 F HA 0.688 5.215 4.527 -0.000 0.000 0.325 349 F C -0.153 175.644 175.800 -0.005 0.000 1.116 349 F CA -0.700 57.302 58.000 0.004 0.000 0.930 349 F CB 1.616 40.618 39.000 0.004 0.000 1.146 349 F HN 0.164 nan 8.300 nan 0.000 0.447 350 L N 2.757 124.047 121.223 0.112 0.000 2.329 350 L HA 0.879 5.219 4.340 -0.000 0.000 0.279 350 L C 0.495 177.398 176.870 0.056 0.000 1.014 350 L CA -0.764 54.117 54.840 0.067 0.000 0.814 350 L CB 1.431 43.510 42.059 0.034 0.000 1.257 350 L HN 0.873 nan 8.230 nan 0.000 0.424 351 G N 2.139 110.951 108.800 0.020 0.000 2.782 351 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.228 351 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.228 351 G C -0.018 174.797 174.900 -0.140 0.000 1.372 351 G CA -0.124 44.958 45.100 -0.030 0.000 0.862 351 G HN 0.702 nan 8.290 nan 0.000 0.547 352 D N -0.375 119.809 120.400 -0.361 0.000 2.317 352 D HA 0.041 4.681 4.640 -0.000 0.000 0.211 352 D C 1.592 177.319 176.300 -0.953 0.000 0.966 352 D CA 1.306 54.911 54.000 -0.657 0.000 0.876 352 D CB -0.029 40.236 40.800 -0.891 0.000 0.927 352 D HN 0.523 nan 8.370 nan 0.000 0.519 353 W N 0.637 121.958 121.300 0.034 0.000 3.102 353 W HA 0.254 4.914 4.660 -0.000 0.000 0.401 353 W C 0.220 176.734 176.519 -0.008 0.000 1.070 353 W CA -0.346 56.981 57.345 -0.029 0.000 1.921 353 W CB 0.271 29.729 29.460 -0.004 0.000 1.118 353 W HN -0.295 nan 8.180 nan 0.000 0.647 354 S N 2.657 118.397 115.700 0.066 0.000 2.222 354 S HA 0.216 4.686 4.470 -0.000 0.000 0.173 354 S C -2.248 172.404 174.600 0.086 0.000 1.466 354 S CA -0.947 57.345 58.200 0.154 0.000 1.184 354 S CB 0.126 63.460 63.200 0.222 0.000 1.168 354 S HN -0.111 nan 8.310 nan 0.000 0.475 355 P HA 0.084 nan 4.420 nan 0.000 0.272 355 P C 0.725 177.847 177.300 -0.297 0.000 1.223 355 P CA -0.183 62.819 63.100 -0.165 0.000 0.784 355 P CB 0.968 32.580 31.700 -0.146 0.000 0.923 356 E N 1.447 121.273 120.200 -0.623 0.000 2.209 356 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 356 E C 1.419 177.770 176.600 -0.415 0.000 0.993 356 E CA 1.228 56.979 56.400 -1.082 0.000 0.819 356 E CB -0.217 28.907 29.700 -0.960 0.000 0.745 356 E HN 0.330 nan 8.360 nan 0.000 0.477 357 S N 0.411 115.993 115.700 -0.197 0.000 2.402 357 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 357 S C 1.959 176.659 174.600 0.167 0.000 1.030 357 S CA 0.980 59.199 58.200 0.031 0.000 1.003 357 S CB -0.250 62.991 63.200 0.069 0.000 0.813 357 S HN 0.519 nan 8.310 nan 0.000 0.477 358 A N 1.338 124.233 122.820 0.124 0.000 1.898 358 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 358 A C 2.317 180.053 177.584 0.254 0.000 1.181 358 A CA 1.625 53.779 52.037 0.195 0.000 0.620 358 A CB -1.214 17.893 19.000 0.178 0.000 0.819 358 A HN 0.525 nan 8.150 nan 0.000 0.442 359 G N -0.670 108.372 108.800 0.404 0.000 2.430 359 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 359 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 359 G C 1.049 176.111 174.900 0.269 0.000 1.146 359 G CA 1.020 46.368 45.100 0.413 0.000 0.793 359 G HN 0.408 nan 8.290 nan 0.000 0.537 360 D N -0.389 120.091 120.400 0.133 0.000 2.178 360 D HA -0.058 4.582 4.640 -0.000 0.000 0.201 360 D C 1.616 177.804 176.300 -0.186 0.000 0.980 360 D CA 0.972 54.921 54.000 -0.085 0.000 0.842 360 D CB -0.037 40.506 40.800 -0.428 0.000 0.948 360 D HN 0.531 nan 8.370 nan 0.000 0.472 361 Y N -1.438 118.956 120.300 0.157 0.000 2.607 361 Y HA 0.439 4.989 4.550 -0.000 0.000 0.276 361 Y C 1.644 177.603 175.900 0.099 0.000 1.117 361 Y CA 0.418 58.587 58.100 0.115 0.000 1.273 361 Y CB 0.818 39.317 38.460 0.063 0.000 1.282 361 Y HN -0.050 nan 8.280 nan 0.000 0.514 362 A N -1.247 121.720 122.820 0.244 0.000 2.709 362 A HA 0.111 4.431 4.320 -0.000 0.000 0.212 362 A C 1.567 179.217 177.584 0.111 0.000 1.280 362 A CA 0.529 52.667 52.037 0.168 0.000 1.034 362 A CB -0.852 18.245 19.000 0.162 0.000 1.255 362 A HN 0.168 nan 8.150 nan 0.000 0.547 363 S N -0.774 114.984 115.700 0.097 0.000 2.399 363 S HA 0.291 4.761 4.470 -0.000 0.000 0.231 363 S C 1.712 176.301 174.600 -0.019 0.000 1.022 363 S CA 1.909 60.127 58.200 0.030 0.000 0.983 363 S CB -0.107 63.098 63.200 0.009 0.000 0.803 363 S HN 2.087 nan 8.310 nan 0.000 0.480 364 G N 0.393 109.198 108.800 0.007 0.000 2.336 364 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.194 364 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.194 364 G C 0.337 175.256 174.900 0.031 0.000 0.999 364 G CA 0.106 45.234 45.100 0.047 0.000 0.669 364 G HN 1.127 nan 8.290 nan 0.000 0.482 365 T N -0.408 114.019 114.554 -0.211 0.000 2.766 365 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 365 T C 0.205 175.012 174.700 0.178 0.000 1.024 365 T CA 0.020 61.992 62.100 -0.214 0.000 1.018 365 T CB 1.468 70.124 68.868 -0.353 0.000 1.002 365 T HN 0.256 nan 8.240 nan 0.000 0.532 366 N N 0.497 119.372 118.700 0.290 0.000 2.479 366 N HA 0.059 4.799 4.740 -0.000 0.000 0.285 366 N C 0.985 176.631 175.510 0.226 0.000 1.075 366 N CA -0.408 52.803 53.050 0.270 0.000 0.967 366 N CB 0.782 39.484 38.487 0.359 0.000 1.137 366 N HN 0.994 nan 8.380 nan 0.000 0.472 367 H N 0.869 120.023 119.070 0.140 0.000 2.539 367 H HA 0.199 4.755 4.556 -0.000 0.000 0.269 367 H C -0.335 175.058 175.328 0.107 0.000 0.980 367 H CA -0.297 55.835 56.048 0.141 0.000 1.152 367 H CB 0.407 30.218 29.762 0.083 0.000 1.407 367 H HN 0.034 nan 8.280 nan 0.000 0.564 368 V N 3.027 123.126 119.914 0.308 0.000 2.389 368 V HA 0.226 4.346 4.120 -0.000 0.000 0.264 368 V C -0.218 175.964 176.094 0.146 0.000 1.049 368 V CA -0.121 62.321 62.300 0.236 0.000 0.932 368 V CB 0.649 32.596 31.823 0.206 0.000 1.011 368 V HN 0.298 nan 8.190 nan 0.000 0.475 369 L N 6.330 127.601 121.223 0.080 0.000 2.409 369 L HA 0.615 4.955 4.340 -0.000 0.000 0.255 369 L C -2.654 174.215 176.870 -0.001 0.000 1.027 369 L CA -2.070 52.778 54.840 0.014 0.000 0.834 369 L CB 2.716 44.720 42.059 -0.091 0.000 1.426 369 L HN 0.338 nan 8.230 nan 0.000 0.411 370 P HA 0.264 nan 4.420 nan 0.000 0.275 370 P C -0.898 176.423 177.300 0.035 0.000 1.227 370 P CA -0.297 62.829 63.100 0.044 0.000 0.781 370 P CB 0.953 32.695 31.700 0.070 0.000 0.906 371 T N -1.433 113.191 114.554 0.118 0.000 2.883 371 T HA 0.423 4.773 4.350 -0.000 0.000 0.284 371 T C -0.226 174.535 174.700 0.102 0.000 1.041 371 T CA -0.678 61.421 62.100 -0.002 0.000 1.007 371 T CB 0.337 69.148 68.868 -0.094 0.000 1.220 371 T HN 0.360 nan 8.240 nan 0.000 0.552 372 Y N -0.196 120.042 120.300 -0.103 0.000 4.604 372 Y HA -0.157 4.393 4.550 -0.000 0.000 0.230 372 Y C 1.673 177.355 175.900 -0.364 0.000 1.066 372 Y CA 1.464 59.433 58.100 -0.219 0.000 1.990 372 Y CB -1.871 36.480 38.460 -0.183 0.000 1.619 372 Y HN 1.639 nan 8.280 nan 0.000 0.649 373 G N -1.869 106.773 108.800 -0.264 0.000 2.176 373 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.253 373 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.253 373 G C 0.501 175.317 174.900 -0.140 0.000 0.979 373 G CA 0.230 45.180 45.100 -0.250 0.000 0.641 373 G HN 0.592 nan 8.290 nan 0.000 0.530 374 Y N 1.567 121.849 120.300 -0.030 0.000 2.651 374 Y HA -0.066 4.484 4.550 -0.000 0.000 0.296 374 Y C 3.058 178.941 175.900 -0.028 0.000 1.150 374 Y CA 1.788 59.879 58.100 -0.016 0.000 1.348 374 Y CB 0.024 38.487 38.460 0.005 0.000 0.983 374 Y HN 0.507 nan 8.280 nan 0.000 0.555 375 T N -3.413 111.191 114.554 0.083 0.000 3.098 375 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 375 T C 1.977 176.698 174.700 0.035 0.000 1.145 375 T CA 0.657 62.783 62.100 0.043 0.000 1.092 375 T CB -0.262 68.609 68.868 0.004 0.000 0.908 375 T HN 0.341 nan 8.240 nan 0.000 0.526 376 A N 1.933 124.772 122.820 0.032 0.000 2.019 376 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 376 A C 2.481 180.088 177.584 0.038 0.000 1.164 376 A CA 1.753 53.804 52.037 0.023 0.000 0.644 376 A CB -0.724 18.279 19.000 0.005 0.000 0.805 376 A HN 0.748 nan 8.150 nan 0.000 0.449 377 T N -6.686 107.906 114.554 0.063 0.000 3.009 377 T HA 0.272 4.622 4.350 -0.000 0.000 0.267 377 T C 0.206 174.931 174.700 0.042 0.000 0.942 377 T CA 0.300 62.431 62.100 0.053 0.000 0.883 377 T CB -0.763 68.143 68.868 0.064 0.000 1.192 377 T HN 0.294 nan 8.240 nan 0.000 0.524 378 C N 2.209 121.541 119.300 0.053 0.000 2.454 378 C HA 0.828 5.288 4.460 -0.000 0.000 0.336 378 C C 0.336 175.340 174.990 0.023 0.000 1.189 378 C CA -0.238 58.793 59.018 0.023 0.000 1.877 378 C CB 1.139 28.883 27.740 0.007 0.000 2.348 378 C HN 0.581 nan 8.230 nan 0.000 0.508 379 S N 1.861 117.569 115.700 0.014 0.000 2.646 379 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 379 S C -0.143 174.478 174.600 0.036 0.000 1.222 379 S CA -0.294 57.921 58.200 0.025 0.000 1.014 379 S CB 1.449 64.665 63.200 0.027 0.000 0.991 379 S HN 0.975 nan 8.310 nan 0.000 0.533 380 S N 0.972 116.703 115.700 0.050 0.000 2.566 380 S HA 0.121 4.591 4.470 -0.000 0.000 0.280 380 S C 0.010 174.675 174.600 0.107 0.000 1.343 380 S CA -0.639 57.607 58.200 0.076 0.000 1.036 380 S CB -0.091 63.165 63.200 0.094 0.000 0.866 380 S HN 0.493 nan 8.310 nan 0.000 0.526 381 L N 4.097 125.405 121.223 0.142 0.000 2.483 381 L HA 0.594 4.934 4.340 -0.000 0.000 0.276 381 L C 0.713 177.740 176.870 0.261 0.000 1.213 381 L CA 1.600 56.553 54.840 0.190 0.000 0.843 381 L CB 0.188 42.385 42.059 0.231 0.000 1.107 381 L HN 0.916 nan 8.230 nan 0.000 0.487 382 G N 2.654 111.631 108.800 0.295 0.000 2.554 382 G HA2 0.253 4.213 3.960 -0.000 0.000 0.306 382 G HA3 0.253 4.213 3.960 -0.000 0.000 0.306 382 G C -0.364 174.765 174.900 0.382 0.000 1.320 382 G CA -0.230 45.072 45.100 0.336 0.000 0.800 382 G HN 0.713 nan 8.290 nan 0.000 0.481 383 L N 0.708 122.112 121.223 0.301 0.000 2.079 383 L HA 0.056 4.396 4.340 -0.000 0.000 0.210 383 L C 2.979 180.002 176.870 0.254 0.000 1.081 383 L CA 3.243 58.233 54.840 0.251 0.000 0.752 383 L CB -0.519 41.601 42.059 0.102 0.000 0.896 383 L HN 0.758 nan 8.230 nan 0.000 0.433 384 A N -1.248 121.667 122.820 0.158 0.000 2.019 384 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 384 A C 1.878 179.525 177.584 0.106 0.000 1.164 384 A CA 1.728 53.829 52.037 0.106 0.000 0.644 384 A CB -0.691 18.343 19.000 0.055 0.000 0.805 384 A HN 0.587 nan 8.150 nan 0.000 0.449 385 D N -1.369 119.100 120.400 0.116 0.000 2.371 385 D HA -0.012 4.628 4.640 -0.000 0.000 0.221 385 D C 0.123 176.339 176.300 -0.139 0.000 0.986 385 D CA 0.748 54.731 54.000 -0.028 0.000 0.899 385 D CB -0.074 40.690 40.800 -0.059 0.000 0.902 385 D HN 0.569 nan 8.370 nan 0.000 0.530 386 F N 0.620 120.656 119.950 0.143 0.000 2.654 386 F HA 0.185 4.712 4.527 -0.000 0.000 0.303 386 F C 1.126 176.969 175.800 0.072 0.000 1.099 386 F CA -0.327 57.743 58.000 0.115 0.000 1.270 386 F CB 0.423 39.407 39.000 -0.026 0.000 1.024 386 F HN -0.147 nan 8.300 nan 0.000 0.548 387 Q N 0.429 120.333 119.800 0.174 0.000 2.831 387 Q HA 0.551 4.891 4.340 -0.000 0.000 0.322 387 Q C -1.446 174.593 176.000 0.065 0.000 0.923 387 Q CA -1.258 54.612 55.803 0.111 0.000 0.767 387 Q CB 2.466 31.264 28.738 0.099 0.000 1.469 387 Q HN 0.024 nan 8.270 nan 0.000 0.496 388 K N 0.322 120.750 120.400 0.047 0.000 2.527 388 K HA 0.583 4.903 4.320 -0.000 0.000 0.260 388 K C -1.189 175.425 176.600 0.023 0.000 0.937 388 K CA -0.828 55.476 56.287 0.028 0.000 0.826 388 K CB 2.856 35.369 32.500 0.021 0.000 1.359 388 K HN 0.704 nan 8.250 nan 0.000 0.434 392 V N 2.446 122.367 119.914 0.012 0.000 2.808 392 V HA 0.792 4.912 4.120 -0.000 0.000 0.308 392 V C -1.060 175.043 176.094 0.014 0.000 1.099 392 V CA -0.818 61.489 62.300 0.012 0.000 0.920 392 V CB 1.875 33.704 31.823 0.010 0.000 1.014 392 V HN 1.200 nan 8.190 nan 0.000 0.425 393 Q N 2.701 122.511 119.800 0.016 0.000 2.359 393 Q HA 0.746 5.086 4.340 -0.000 0.000 0.274 393 Q C -1.363 174.650 176.000 0.022 0.000 1.074 393 Q CA -0.804 55.012 55.803 0.021 0.000 0.810 393 Q CB 3.513 32.267 28.738 0.027 0.000 1.342 393 Q HN 0.814 nan 8.270 nan 0.000 0.427 394 E N 2.762 122.977 120.200 0.025 0.000 2.265 394 E HA 0.420 4.770 4.350 -0.000 0.000 0.262 394 E C -1.679 174.944 176.600 0.038 0.000 0.889 394 E CA -0.608 55.807 56.400 0.025 0.000 0.789 394 E CB 1.373 31.083 29.700 0.017 0.000 1.221 394 E HN 0.555 nan 8.360 nan 0.000 0.414 395 L N 3.255 124.511 121.223 0.055 0.000 2.309 395 L HA 0.382 4.722 4.340 -0.000 0.000 0.282 395 L C 0.395 177.311 176.870 0.076 0.000 1.036 395 L CA -0.194 54.697 54.840 0.085 0.000 0.806 395 L CB 1.650 43.802 42.059 0.155 0.000 1.220 395 L HN 0.592 nan 8.230 nan 0.000 0.429 396 S N 1.783 117.527 115.700 0.074 0.000 2.681 396 S HA 0.349 4.819 4.470 -0.000 0.000 0.270 396 S C 1.013 175.673 174.600 0.099 0.000 1.209 396 S CA -0.628 57.608 58.200 0.060 0.000 0.988 396 S CB 0.822 64.050 63.200 0.046 0.000 1.006 396 S HN 0.582 nan 8.310 nan 0.000 0.558 397 K N 0.515 120.961 120.400 0.076 0.000 2.063 397 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 397 K C 2.005 178.693 176.600 0.146 0.000 1.048 397 K CA 1.965 58.319 56.287 0.111 0.000 0.928 397 K CB -0.313 32.225 32.500 0.063 0.000 0.713 397 K HN 0.605 nan 8.250 nan 0.000 0.442 398 E N -0.068 120.187 120.200 0.091 0.000 2.072 398 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 398 E C 2.086 178.723 176.600 0.062 0.000 0.985 398 E CA 1.281 57.721 56.400 0.068 0.000 0.801 398 E CB -0.408 29.317 29.700 0.041 0.000 0.750 398 E HN 0.442 nan 8.360 nan 0.000 0.452 399 G N 0.124 108.969 108.800 0.074 0.000 2.402 399 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 399 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 399 G C 1.491 176.426 174.900 0.058 0.000 1.162 399 G CA 0.551 45.684 45.100 0.055 0.000 0.777 399 G HN 0.306 nan 8.290 nan 0.000 0.539 400 F N 2.326 122.278 119.950 0.004 0.000 2.095 400 F HA -0.108 4.419 4.527 0.000 0.000 0.298 400 F C 2.838 178.641 175.800 0.005 0.000 1.104 400 F CA 1.980 59.982 58.000 0.004 0.000 1.232 400 F CB -0.240 38.762 39.000 0.003 0.000 0.987 400 F HN 0.146 nan 8.300 nan 0.000 0.475 401 S N 0.629 116.309 115.700 -0.034 0.000 2.383 401 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 401 S C 2.263 176.751 174.600 -0.186 0.000 1.030 401 S CA 1.073 59.195 58.200 -0.131 0.000 1.002 401 S CB -0.876 62.354 63.200 0.049 0.000 0.829 401 S HN 0.568 nan 8.310 nan 0.000 0.467 402 A N 0.474 123.224 122.820 -0.116 0.000 2.015 402 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 402 A C 1.945 179.449 177.584 -0.134 0.000 1.163 402 A CA 1.014 52.995 52.037 -0.094 0.000 0.646 402 A CB -0.304 18.667 19.000 -0.048 0.000 0.806 402 A HN 0.402 nan 8.150 nan 0.000 0.448 403 L N -1.460 119.642 121.223 -0.201 0.000 2.513 403 L HA 0.340 4.680 4.340 -0.000 0.000 0.222 403 L C 2.528 179.229 176.870 -0.281 0.000 1.096 403 L CA 1.032 55.754 54.840 -0.197 0.000 0.857 403 L CB -0.603 41.365 42.059 -0.152 0.000 1.026 403 L HN 0.320 nan 8.230 nan 0.000 0.469 404 A N -1.082 121.445 122.820 -0.488 0.000 1.873 404 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 404 A C 2.542 179.996 177.584 -0.217 0.000 1.193 404 A CA 2.299 54.033 52.037 -0.504 0.000 0.629 404 A CB -1.099 17.509 19.000 -0.655 0.000 0.826 404 A HN 0.441 nan 8.150 nan 0.000 0.447 405 S N -1.395 114.210 115.700 -0.158 0.000 2.368 405 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 405 S C 2.070 176.630 174.600 -0.067 0.000 1.030 405 S CA 2.237 60.385 58.200 -0.086 0.000 0.999 405 S CB -0.687 62.472 63.200 -0.067 0.000 0.844 405 S HN 0.638 nan 8.310 nan 0.000 0.459 406 T N 2.471 116.979 114.554 -0.077 0.000 2.684 406 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 406 T C 1.700 176.374 174.700 -0.042 0.000 1.036 406 T CA 1.765 63.833 62.100 -0.053 0.000 1.148 406 T CB -0.436 68.400 68.868 -0.054 0.000 0.863 406 T HN 0.446 nan 8.240 nan 0.000 0.436 407 I N 0.873 121.411 120.570 -0.054 0.000 2.226 407 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 407 I C 2.594 178.711 176.117 -0.001 0.000 1.100 407 I CA 1.391 62.679 61.300 -0.019 0.000 1.374 407 I CB -0.432 37.561 38.000 -0.012 0.000 1.057 407 I HN 0.314 nan 8.210 nan 0.000 0.413 408 E N 0.321 120.514 120.200 -0.011 0.000 2.077 408 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 408 E C 2.177 178.778 176.600 0.001 0.000 0.989 408 E CA 1.820 58.224 56.400 0.007 0.000 0.800 408 E CB -0.187 29.514 29.700 0.002 0.000 0.746 408 E HN 0.446 nan 8.360 nan 0.000 0.452 409 T N 1.595 116.143 114.554 -0.011 0.000 2.684 409 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 409 T C 1.956 176.649 174.700 -0.011 0.000 1.036 409 T CA 0.980 63.073 62.100 -0.011 0.000 1.148 409 T CB -0.223 68.635 68.868 -0.017 0.000 0.863 409 T HN 0.078 nan 8.240 nan 0.000 0.436 410 L N 0.625 121.841 121.223 -0.012 0.000 2.027 410 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 410 L C 3.053 179.910 176.870 -0.022 0.000 1.074 410 L CA 1.259 56.090 54.840 -0.016 0.000 0.745 410 L CB -0.673 41.377 42.059 -0.014 0.000 0.898 410 L HN 0.232 nan 8.230 nan 0.000 0.433 411 A N 0.006 122.820 122.820 -0.010 0.000 1.898 411 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 411 A C 2.537 180.111 177.584 -0.017 0.000 1.181 411 A CA 1.597 53.623 52.037 -0.018 0.000 0.620 411 A CB -0.680 18.345 19.000 0.042 0.000 0.819 411 A HN 0.389 nan 8.150 nan 0.000 0.442 412 A N -0.039 122.779 122.820 -0.002 0.000 1.902 412 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 412 A C 2.461 180.039 177.584 -0.012 0.000 1.181 412 A CA 2.050 54.086 52.037 -0.002 0.000 0.623 412 A CB -0.968 18.033 19.000 0.002 0.000 0.818 412 A HN 1.087 nan 8.150 nan 0.000 0.443 413 A N -0.417 122.394 122.820 -0.016 0.000 2.015 413 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 413 A C 1.706 179.274 177.584 -0.026 0.000 1.163 413 A CA 1.402 53.428 52.037 -0.019 0.000 0.646 413 A CB -0.348 18.641 19.000 -0.018 0.000 0.806 413 A HN 0.639 nan 8.150 nan 0.000 0.448 414 E N -0.840 119.336 120.200 -0.039 0.000 2.463 414 E HA 0.102 4.452 4.350 -0.000 0.000 0.193 414 E C -0.359 176.211 176.600 -0.050 0.000 1.041 414 E CA -0.339 56.029 56.400 -0.054 0.000 0.879 414 E CB 0.069 29.716 29.700 -0.088 0.000 0.997 414 E HN 0.480 nan 8.360 nan 0.000 0.478 415 R N 0.471 120.952 120.500 -0.032 0.000 3.525 415 R HA -0.179 4.161 4.340 -0.000 0.000 0.276 415 R C -0.518 175.771 176.300 -0.018 0.000 1.116 415 R CA 0.409 56.498 56.100 -0.019 0.000 0.745 415 R CB -2.136 28.156 30.300 -0.014 0.000 1.185 415 R HN 0.214 nan 8.270 nan 0.000 0.454 416 L N 0.551 121.755 121.223 -0.031 0.000 2.417 416 L HA 0.163 4.503 4.340 -0.000 0.000 0.258 416 L C 1.460 178.370 176.870 0.067 0.000 1.088 416 L CA -0.358 54.475 54.840 -0.012 0.000 0.975 416 L CB 1.331 43.274 42.059 -0.194 0.000 1.341 416 L HN 0.116 nan 8.230 nan 0.000 0.431 417 T N 0.400 114.993 114.554 0.064 0.000 2.746 417 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 417 T C 2.001 176.753 174.700 0.087 0.000 1.039 417 T CA 1.683 63.822 62.100 0.064 0.000 1.142 417 T CB 0.176 69.070 68.868 0.042 0.000 0.866 417 T HN 0.674 nan 8.240 nan 0.000 0.444 418 A N 1.149 124.032 122.820 0.105 0.000 1.933 418 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 418 A C 1.969 179.603 177.584 0.083 0.000 1.175 418 A CA 1.801 53.885 52.037 0.077 0.000 0.628 418 A CB -0.861 18.171 19.000 0.054 0.000 0.814 418 A HN 0.553 nan 8.150 nan 0.000 0.444 419 H N -0.481 118.602 119.070 0.020 0.000 2.353 419 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 419 H C 2.069 177.418 175.328 0.035 0.000 1.090 419 H CA 1.889 57.953 56.048 0.027 0.000 1.327 419 H CB -0.025 29.750 29.762 0.022 0.000 1.383 419 H HN 0.559 nan 8.280 nan 0.000 0.508 420 K N 0.296 120.792 120.400 0.161 0.000 2.025 420 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 420 K C 1.626 178.277 176.600 0.084 0.000 1.049 420 K CA 1.355 57.703 56.287 0.100 0.000 0.933 420 K CB 0.134 32.675 32.500 0.068 0.000 0.714 420 K HN 0.183 nan 8.250 nan 0.000 0.438 421 N N 0.995 119.737 118.700 0.069 0.000 2.205 421 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 421 N C 1.547 177.087 175.510 0.051 0.000 1.015 421 N CA 1.275 54.357 53.050 0.052 0.000 0.862 421 N CB -0.384 38.125 38.487 0.036 0.000 0.986 421 N HN 0.317 nan 8.380 nan 0.000 0.429 422 A N 0.298 123.146 122.820 0.047 0.000 1.972 422 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 422 A C 2.407 180.043 177.584 0.086 0.000 1.169 422 A CA 1.157 53.214 52.037 0.033 0.000 0.635 422 A CB -0.454 18.548 19.000 0.003 0.000 0.810 422 A HN 0.121 nan 8.150 nan 0.000 0.446 423 V N -0.894 119.111 119.914 0.152 0.000 2.379 423 V HA -0.155 3.965 4.120 -0.000 0.000 0.243 423 V C 2.686 178.934 176.094 0.257 0.000 1.035 423 V CA 2.244 64.722 62.300 0.297 0.000 1.035 423 V CB -1.207 30.743 31.823 0.211 0.000 0.673 423 V HN 0.552 nan 8.190 nan 0.000 0.457 424 T N 0.901 115.540 114.554 0.140 0.000 2.665 424 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 424 T C 1.924 176.678 174.700 0.089 0.000 1.035 424 T CA 1.819 63.980 62.100 0.102 0.000 1.151 424 T CB -0.405 68.501 68.868 0.063 0.000 0.862 424 T HN 0.258 nan 8.240 nan 0.000 0.438 425 L N 0.141 121.400 121.223 0.061 0.000 2.042 425 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 425 L C 2.878 179.755 176.870 0.011 0.000 1.076 425 L CA 1.561 56.416 54.840 0.026 0.000 0.749 425 L CB -0.399 41.661 42.059 0.001 0.000 0.893 425 L HN 0.176 nan 8.230 nan 0.000 0.432 426 R N -1.100 119.401 120.500 0.003 0.000 2.073 426 R HA -0.088 4.252 4.340 -0.000 0.000 0.229 426 R C 2.243 178.580 176.300 0.060 0.000 1.120 426 R CA 0.936 56.971 56.100 -0.109 0.000 0.967 426 R CB -0.415 29.576 30.300 -0.514 0.000 0.862 426 R HN 0.125 nan 8.270 nan 0.000 0.436 427 V N 1.975 122.044 119.914 0.258 0.000 2.287 427 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 427 V C 1.701 177.867 176.094 0.121 0.000 1.053 427 V CA 1.864 64.319 62.300 0.259 0.000 1.027 427 V CB -0.505 31.434 31.823 0.193 0.000 0.646 427 V HN 0.358 nan 8.190 nan 0.000 0.447 428 N N 0.414 119.162 118.700 0.080 0.000 2.120 428 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 428 N C 1.872 177.400 175.510 0.031 0.000 1.024 428 N CA 1.649 54.727 53.050 0.046 0.000 0.852 428 N CB -0.553 37.954 38.487 0.034 0.000 1.003 428 N HN 0.495 nan 8.380 nan 0.000 0.424 429 A N 1.223 124.053 122.820 0.017 0.000 1.902 429 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 429 A C 2.372 179.960 177.584 0.007 0.000 1.181 429 A CA 0.931 52.968 52.037 -0.001 0.000 0.623 429 A CB -0.735 18.248 19.000 -0.029 0.000 0.818 429 A HN 0.216 nan 8.150 nan 0.000 0.443 430 L N -0.906 120.332 121.223 0.024 0.000 2.093 430 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 430 L C 2.584 179.478 176.870 0.039 0.000 1.085 430 L CA 1.670 56.533 54.840 0.038 0.000 0.755 430 L CB -0.374 41.735 42.059 0.083 0.000 0.904 430 L HN 0.327 nan 8.230 nan 0.000 0.435 431 K N 0.895 121.322 120.400 0.044 0.000 2.057 431 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 431 K C 1.847 178.460 176.600 0.022 0.000 1.049 431 K CA 1.575 57.882 56.287 0.034 0.000 0.931 431 K CB -0.122 32.399 32.500 0.034 0.000 0.714 431 K HN 0.284 nan 8.250 nan 0.000 0.440 432 E N -0.168 120.042 120.200 0.018 0.000 2.204 432 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 432 E C 1.708 178.313 176.600 0.009 0.000 0.989 432 E CA 0.858 57.265 56.400 0.011 0.000 0.824 432 E CB 0.083 29.788 29.700 0.007 0.000 0.756 432 E HN 0.450 nan 8.360 nan 0.000 0.477 433 Q N -0.113 119.693 119.800 0.009 0.000 2.360 433 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 433 Q C 0.400 176.406 176.000 0.010 0.000 0.915 433 Q CA -0.314 55.493 55.803 0.007 0.000 0.943 433 Q CB 0.742 29.482 28.738 0.003 0.000 1.064 433 Q HN 0.084 nan 8.270 nan 0.000 0.511 434 A N 0.000 122.829 122.820 0.014 0.000 2.254 434 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 434 A CA 0.000 52.046 52.037 0.015 0.000 0.836 434 A CB 0.000 19.012 19.000 0.020 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486