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 1iri_1_B DATA FIRST_RESID 1 DATA SEQUENCE MAALTRDPQF QKLQQWYREH RSELNLRRLF DANKDRFNHF SLTLNTNHGH DATA SEQUENCE ILVDYSKNLV TEDVMRMLVD LAKSRGVEAA RERMFNGEKI NYTEGRAVLH DATA SEQUENCE VALRNRSNTP ILVDGKDVMP EVNKVLDKMK SFCQRVRSGD WKGYTGKTIT DATA SEQUENCE DVINIGIGGS DLGPLMVTEA LKPYSSGGPR VWYVSNIDGT HIAKTLAQLN DATA SEQUENCE PESSLFIIAS KTFTTQETIT NAETAKEWFL QAAKDPSAVA KHFVALSTNT DATA SEQUENCE TKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DNFEQLLSGA DATA SEQUENCE HWMDQHFRTT PLEKNAPVLL ALLGIWYINC FGCETHAMLP YDQYLHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGTR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMRGK STEEARKELQ DATA SEQUENCE AAGKSPEDLE RLLPHKVFEG NRPTNSIVFT KLTPFMLGAL VAMYEHKIFV DATA SEQUENCE QGIIWDINSF DQWGVELGKQ LAKKIEPELD GSAQVTSHDA STNGLINFIK DATA SEQUENCE QQREARV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.345 176.300 0.074 0.000 1.140 1 M CA 0.000 55.343 55.300 0.071 0.000 0.988 1 M CB 0.000 32.641 32.600 0.067 0.000 1.302 2 A N 1.769 124.652 122.820 0.105 0.000 2.366 2 A HA 0.744 5.064 4.320 0.000 0.000 0.249 2 A C 1.290 178.931 177.584 0.095 0.000 1.084 2 A CA 0.660 52.768 52.037 0.119 0.000 0.794 2 A CB 0.427 19.555 19.000 0.215 0.000 1.034 2 A HN 1.085 nan 8.150 nan 0.000 0.491 3 A N 0.598 123.461 122.820 0.071 0.000 1.927 3 A HA -0.165 4.155 4.320 0.000 0.000 0.220 3 A C 1.972 179.552 177.584 -0.007 0.000 1.185 3 A CA 2.183 54.241 52.037 0.034 0.000 0.639 3 A CB -0.737 18.278 19.000 0.025 0.000 0.820 3 A HN 1.308 nan 8.150 nan 0.000 0.451 4 L N 0.270 121.448 121.223 -0.075 0.000 2.005 4 L HA -0.111 4.229 4.340 0.000 0.000 0.207 4 L C 2.680 179.390 176.870 -0.266 0.000 1.072 4 L CA 3.058 57.711 54.840 -0.312 0.000 0.744 4 L CB -1.130 40.512 42.059 -0.695 0.000 0.895 4 L HN 0.532 nan 8.230 nan 0.000 0.433 5 T N -3.083 111.420 114.554 -0.084 0.000 2.915 5 T HA -0.130 4.220 4.350 0.000 0.000 0.269 5 T C 2.017 176.866 174.700 0.248 0.000 1.071 5 T CA 1.009 63.251 62.100 0.235 0.000 1.132 5 T CB -0.449 68.577 68.868 0.263 0.000 0.878 5 T HN 0.327 nan 8.240 nan 0.000 0.479 6 R N 1.195 121.779 120.500 0.140 0.000 2.193 6 R HA 0.097 4.437 4.340 0.000 0.000 0.213 6 R C 0.810 177.179 176.300 0.115 0.000 1.055 6 R CA 0.290 56.458 56.100 0.114 0.000 0.995 6 R CB -0.112 30.233 30.300 0.075 0.000 0.893 6 R HN 0.478 nan 8.270 nan 0.000 0.459 7 D N 0.654 121.128 120.400 0.124 0.000 2.458 7 D HA -0.012 4.628 4.640 0.000 0.000 0.243 7 D C -1.802 174.591 176.300 0.153 0.000 1.146 7 D CA -1.549 52.520 54.000 0.114 0.000 0.877 7 D CB 1.598 42.451 40.800 0.088 0.000 1.176 7 D HN -0.067 nan 8.370 nan 0.000 0.461 8 P HA -0.116 nan 4.420 nan 0.000 0.217 8 P C 1.153 178.509 177.300 0.093 0.000 1.151 8 P CA 0.890 64.043 63.100 0.087 0.000 0.828 8 P CB 0.345 32.078 31.700 0.056 0.000 0.788 9 Q N -1.359 118.499 119.800 0.096 0.000 2.124 9 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 9 Q C 2.018 178.100 176.000 0.136 0.000 0.977 9 Q CA 1.226 57.081 55.803 0.088 0.000 0.850 9 Q CB -1.404 27.372 28.738 0.063 0.000 0.901 9 Q HN 0.320 nan 8.270 nan 0.000 0.429 10 F N 1.792 121.761 119.950 0.032 0.000 2.146 10 F HA -0.129 4.398 4.527 0.000 0.000 0.298 10 F C 2.098 177.945 175.800 0.079 0.000 1.096 10 F CA 1.345 59.375 58.000 0.051 0.000 1.275 10 F CB -0.093 38.924 39.000 0.028 0.000 1.008 10 F HN 0.060 nan 8.300 nan 0.000 0.480 11 Q N 0.139 119.930 119.800 -0.016 0.000 2.170 11 Q HA -0.221 4.120 4.340 0.000 0.000 0.203 11 Q C 2.311 178.280 176.000 -0.051 0.000 0.976 11 Q CA 1.544 57.294 55.803 -0.089 0.000 0.858 11 Q CB -0.244 28.509 28.738 0.026 0.000 0.907 11 Q HN 0.407 nan 8.270 nan 0.000 0.433 12 K N 0.800 121.208 120.400 0.015 0.000 2.001 12 K HA -0.142 4.178 4.320 0.000 0.000 0.208 12 K C 2.074 178.742 176.600 0.115 0.000 1.048 12 K CA 0.878 57.205 56.287 0.067 0.000 0.932 12 K CB -0.116 32.427 32.500 0.071 0.000 0.715 12 K HN 0.147 nan 8.250 nan 0.000 0.437 13 L N 1.180 122.450 121.223 0.078 0.000 1.990 13 L HA -0.297 4.043 4.340 0.000 0.000 0.213 13 L C 2.712 179.735 176.870 0.255 0.000 1.072 13 L CA 1.704 56.654 54.840 0.182 0.000 0.755 13 L CB -0.406 41.748 42.059 0.158 0.000 0.889 13 L HN 0.317 nan 8.230 nan 0.000 0.432 14 Q N -0.859 118.908 119.800 -0.055 0.000 2.096 14 Q HA -0.289 4.051 4.340 0.000 0.000 0.204 14 Q C 2.298 178.366 176.000 0.113 0.000 0.982 14 Q CA 1.785 57.548 55.803 -0.065 0.000 0.850 14 Q CB -0.143 28.419 28.738 -0.293 0.000 0.901 14 Q HN 0.586 nan 8.270 nan 0.000 0.422 15 Q N -0.709 119.145 119.800 0.091 0.000 2.046 15 Q HA -0.201 4.139 4.340 0.000 0.000 0.200 15 Q C 1.690 177.787 176.000 0.163 0.000 0.975 15 Q CA 1.361 57.221 55.803 0.094 0.000 0.836 15 Q CB -0.252 28.527 28.738 0.068 0.000 0.896 15 Q HN 0.459 nan 8.270 nan 0.000 0.428 16 W N 0.173 121.544 121.300 0.119 0.000 2.338 16 W HA -0.283 4.377 4.660 0.000 0.000 0.304 16 W C 2.078 178.749 176.519 0.254 0.000 1.212 16 W CA 1.715 59.188 57.345 0.214 0.000 1.264 16 W CB -0.244 29.370 29.460 0.257 0.000 1.142 16 W HN 0.222 nan 8.180 nan 0.000 0.512 17 Y N 1.037 121.621 120.300 0.473 0.000 2.200 17 Y HA -0.165 4.385 4.550 0.000 0.000 0.290 17 Y C 2.512 178.373 175.900 -0.066 0.000 1.137 17 Y CA 2.301 60.555 58.100 0.257 0.000 1.163 17 Y CB -0.672 37.818 38.460 0.048 0.000 0.988 17 Y HN -0.183 nan 8.280 nan 0.000 0.518 18 R N 0.112 120.605 120.500 -0.012 0.000 2.091 18 R HA -0.197 4.143 4.340 0.000 0.000 0.238 18 R C 1.991 178.116 176.300 -0.292 0.000 1.136 18 R CA 1.980 57.985 56.100 -0.159 0.000 0.959 18 R CB -0.287 29.984 30.300 -0.048 0.000 0.856 18 R HN 0.627 nan 8.270 nan 0.000 0.437 19 E N -1.344 118.641 120.200 -0.358 0.000 2.340 19 E HA -0.056 4.294 4.350 0.000 0.000 0.194 19 E C 1.225 177.369 176.600 -0.760 0.000 0.996 19 E CA 0.942 57.020 56.400 -0.537 0.000 0.869 19 E CB 0.090 29.436 29.700 -0.590 0.000 0.835 19 E HN 0.374 nan 8.360 nan 0.000 0.493 20 H N 0.167 118.856 119.070 -0.635 0.000 2.885 20 H HA 0.252 4.808 4.556 0.000 0.000 0.260 20 H C 1.671 176.708 175.328 -0.485 0.000 0.985 20 H CA 0.808 56.410 56.048 -0.743 0.000 1.210 20 H CB 0.363 29.176 29.762 -1.582 0.000 1.466 20 H HN 0.243 nan 8.280 nan 0.000 0.493 21 R N 0.628 120.912 120.500 -0.360 0.000 2.153 21 R HA -0.143 4.197 4.340 0.000 0.000 0.252 21 R C 1.995 178.248 176.300 -0.078 0.000 1.158 21 R CA 1.967 57.926 56.100 -0.235 0.000 0.975 21 R CB -0.775 29.073 30.300 -0.753 0.000 0.871 21 R HN -0.072 nan 8.270 nan 0.000 0.450 22 S N -0.060 115.563 115.700 -0.128 0.000 2.493 22 S HA -0.095 4.375 4.470 0.000 0.000 0.243 22 S C 0.868 175.476 174.600 0.014 0.000 0.991 22 S CA 1.331 59.502 58.200 -0.048 0.000 0.957 22 S CB -0.142 63.012 63.200 -0.076 0.000 0.756 22 S HN 0.639 nan 8.310 nan 0.000 0.521 23 E N -0.252 119.967 120.200 0.031 0.000 2.481 23 E HA 0.151 4.501 4.350 0.000 0.000 0.198 23 E C -0.802 175.877 176.600 0.133 0.000 1.027 23 E CA -0.240 56.201 56.400 0.068 0.000 0.900 23 E CB 0.357 30.087 29.700 0.051 0.000 0.993 23 E HN 0.204 nan 8.360 nan 0.000 0.482 24 L N 2.672 124.010 121.223 0.192 0.000 2.356 24 L HA 0.209 4.549 4.340 0.000 0.000 0.282 24 L C -0.393 176.609 176.870 0.219 0.000 1.132 24 L CA 0.070 55.076 54.840 0.277 0.000 0.923 24 L CB -0.283 42.049 42.059 0.455 0.000 1.278 24 L HN 0.016 nan 8.230 nan 0.000 0.436 25 N N 3.353 122.152 118.700 0.165 0.000 2.461 25 N HA 0.188 4.928 4.740 0.000 0.000 0.284 25 N C 0.783 176.376 175.510 0.140 0.000 1.049 25 N CA -0.426 52.709 53.050 0.141 0.000 0.889 25 N CB 1.392 39.946 38.487 0.111 0.000 1.365 25 N HN 0.384 nan 8.380 nan 0.000 0.499 26 L N 2.830 124.149 121.223 0.160 0.000 2.042 26 L HA -0.075 4.265 4.340 0.000 0.000 0.210 26 L C 2.576 179.615 176.870 0.282 0.000 1.076 26 L CA 1.113 56.090 54.840 0.228 0.000 0.749 26 L CB -0.170 42.028 42.059 0.232 0.000 0.893 26 L HN 0.518 nan 8.230 nan 0.000 0.432 27 R N -0.120 120.484 120.500 0.173 0.000 2.096 27 R HA -0.198 4.142 4.340 0.000 0.000 0.240 27 R C 2.490 178.884 176.300 0.157 0.000 1.139 27 R CA 1.797 57.982 56.100 0.142 0.000 0.952 27 R CB -0.277 30.072 30.300 0.081 0.000 0.854 27 R HN 0.320 nan 8.270 nan 0.000 0.436 28 R N 0.248 120.821 120.500 0.121 0.000 2.075 28 R HA -0.040 4.300 4.340 0.000 0.000 0.232 28 R C 2.377 178.725 176.300 0.080 0.000 1.126 28 R CA 1.003 57.159 56.100 0.093 0.000 0.963 28 R CB -0.272 30.073 30.300 0.075 0.000 0.858 28 R HN 0.172 nan 8.270 nan 0.000 0.435 29 L N -0.749 120.511 121.223 0.062 0.000 2.127 29 L HA -0.175 4.166 4.340 0.000 0.000 0.211 29 L C 1.851 178.655 176.870 -0.110 0.000 1.089 29 L CA 1.293 56.106 54.840 -0.046 0.000 0.757 29 L CB -0.268 41.711 42.059 -0.133 0.000 0.899 29 L HN 0.150 nan 8.230 nan 0.000 0.434 30 F N -0.264 119.689 119.950 0.005 0.000 2.335 30 F HA -0.130 4.397 4.527 0.000 0.000 0.296 30 F C 2.234 178.042 175.800 0.013 0.000 1.091 30 F CA 0.881 58.885 58.000 0.006 0.000 1.399 30 F CB -0.081 38.917 39.000 -0.003 0.000 1.067 30 F HN 0.065 nan 8.300 nan 0.000 0.520 31 D N -0.029 120.481 120.400 0.184 0.000 2.149 31 D HA -0.076 4.564 4.640 0.000 0.000 0.201 31 D C 2.222 178.568 176.300 0.077 0.000 0.972 31 D CA 1.209 55.277 54.000 0.113 0.000 0.835 31 D CB -0.328 40.523 40.800 0.085 0.000 0.966 31 D HN 0.221 nan 8.370 nan 0.000 0.476 32 A N -0.063 122.793 122.820 0.061 0.000 2.119 32 A HA -0.040 4.280 4.320 0.000 0.000 0.216 32 A C 0.910 178.516 177.584 0.037 0.000 1.152 32 A CA 0.460 52.523 52.037 0.043 0.000 0.708 32 A CB 0.008 19.030 19.000 0.036 0.000 0.805 32 A HN 0.094 nan 8.150 nan 0.000 0.460 33 N N -0.162 118.555 118.700 0.028 0.000 2.640 33 N HA 0.115 4.855 4.740 0.000 0.000 0.262 33 N C 0.374 175.902 175.510 0.030 0.000 1.174 33 N CA -0.240 52.825 53.050 0.026 0.000 0.791 33 N CB 0.844 39.348 38.487 0.028 0.000 1.279 33 N HN 0.316 nan 8.380 nan 0.000 0.535 34 K N 0.244 120.670 120.400 0.043 0.000 2.442 34 K HA -0.032 4.288 4.320 0.000 0.000 0.198 34 K C -0.115 176.507 176.600 0.037 0.000 1.044 34 K CA 0.952 57.275 56.287 0.059 0.000 0.948 34 K CB 0.338 32.864 32.500 0.043 0.000 0.762 34 K HN 0.170 nan 8.250 nan 0.000 0.472 35 D N 1.051 121.433 120.400 -0.031 0.000 2.339 35 D HA 0.053 4.693 4.640 0.000 0.000 0.217 35 D C 1.564 177.775 176.300 -0.150 0.000 1.050 35 D CA -0.006 53.894 54.000 -0.166 0.000 0.856 35 D CB 0.195 40.758 40.800 -0.395 0.000 0.922 35 D HN 0.205 nan 8.370 nan 0.000 0.518 36 R N -0.364 120.141 120.500 0.007 0.000 2.096 36 R HA -0.210 4.130 4.340 0.000 0.000 0.240 36 R C 1.958 178.367 176.300 0.182 0.000 1.139 36 R CA 1.236 57.387 56.100 0.085 0.000 0.952 36 R CB -0.396 29.698 30.300 -0.343 0.000 0.854 36 R HN 0.218 nan 8.270 nan 0.000 0.436 37 F N 1.961 121.957 119.950 0.078 0.000 2.069 37 F HA -0.266 4.261 4.527 0.000 0.000 0.298 37 F C 1.806 177.626 175.800 0.033 0.000 1.113 37 F CA 1.941 59.997 58.000 0.093 0.000 1.214 37 F CB -0.456 38.608 39.000 0.107 0.000 0.978 37 F HN 0.095 nan 8.300 nan 0.000 0.474 38 N N -0.252 118.388 118.700 -0.100 0.000 2.104 38 N HA -0.202 4.538 4.740 0.000 0.000 0.190 38 N C 1.706 177.105 175.510 -0.184 0.000 1.024 38 N CA 1.720 54.641 53.050 -0.215 0.000 0.853 38 N CB -0.851 37.561 38.487 -0.125 0.000 1.008 38 N HN 0.424 nan 8.380 nan 0.000 0.424 39 H N -1.246 117.712 119.070 -0.187 0.000 2.502 39 H HA 0.133 4.689 4.556 0.000 0.000 0.283 39 H C 0.282 175.220 175.328 -0.651 0.000 1.015 39 H CA 0.350 56.175 56.048 -0.371 0.000 1.298 39 H CB -0.126 29.400 29.762 -0.394 0.000 1.411 39 H HN 0.175 nan 8.280 nan 0.000 0.556 40 F N 0.771 120.526 119.950 -0.324 0.000 2.928 40 F HA 0.281 4.808 4.527 0.000 0.000 0.337 40 F C 0.258 175.323 175.800 -1.225 0.000 1.259 40 F CA -0.446 57.071 58.000 -0.806 0.000 1.267 40 F CB 0.463 39.075 39.000 -0.645 0.000 0.986 40 F HN -0.100 nan 8.300 nan 0.000 0.507 41 S N -0.246 115.107 115.700 -0.578 0.000 2.579 41 S HA 0.854 5.324 4.470 0.000 0.000 0.272 41 S C -1.274 173.303 174.600 -0.037 0.000 1.141 41 S CA -0.835 57.151 58.200 -0.357 0.000 0.843 41 S CB 2.345 65.111 63.200 -0.724 0.000 1.122 41 S HN 0.131 nan 8.310 nan 0.000 0.468 42 L N 1.693 122.982 121.223 0.111 0.000 2.410 42 L HA 0.703 5.043 4.340 0.000 0.000 0.270 42 L C -0.486 176.467 176.870 0.137 0.000 0.983 42 L CA -0.464 54.465 54.840 0.148 0.000 0.822 42 L CB 2.505 44.695 42.059 0.218 0.000 1.285 42 L HN 1.029 nan 8.230 nan 0.000 0.409 43 T N 3.303 117.938 114.554 0.136 0.000 2.809 43 T HA 0.677 5.027 4.350 0.000 0.000 0.284 43 T C -0.769 174.041 174.700 0.184 0.000 0.992 43 T CA -0.566 61.640 62.100 0.177 0.000 0.957 43 T CB 0.637 69.622 68.868 0.194 0.000 0.942 43 T HN 0.352 nan 8.240 nan 0.000 0.439 44 L N 4.006 125.327 121.223 0.165 0.000 2.329 44 L HA 0.572 4.912 4.340 0.000 0.000 0.279 44 L C -0.052 176.783 176.870 -0.058 0.000 1.014 44 L CA -1.188 53.737 54.840 0.142 0.000 0.814 44 L CB 1.737 43.886 42.059 0.150 0.000 1.257 44 L HN 0.615 nan 8.230 nan 0.000 0.424 45 N N 0.948 119.573 118.700 -0.125 0.000 2.501 45 N HA 0.136 4.877 4.740 0.000 0.000 0.245 45 N C 0.733 176.027 175.510 -0.360 0.000 0.974 45 N CA -0.333 52.419 53.050 -0.496 0.000 0.941 45 N CB 1.447 39.688 38.487 -0.409 0.000 1.122 45 N HN 0.703 nan 8.380 nan 0.000 0.507 46 T N 0.148 114.296 114.554 -0.677 0.000 3.113 46 T HA 0.053 4.403 4.350 0.000 0.000 0.256 46 T C 0.379 174.775 174.700 -0.505 0.000 1.131 46 T CA 0.122 61.595 62.100 -1.046 0.000 1.074 46 T CB -0.140 68.146 68.868 -0.971 0.000 0.944 46 T HN 0.561 nan 8.240 nan 0.000 0.516 47 N N 0.917 119.373 118.700 -0.405 0.000 2.965 47 N HA -0.155 4.585 4.740 0.000 0.000 0.232 47 N C -0.313 174.728 175.510 -0.782 0.000 0.913 47 N CA 1.530 54.316 53.050 -0.441 0.000 0.981 47 N CB -1.585 36.705 38.487 -0.329 0.000 1.077 47 N HN 0.700 nan 8.380 nan 0.000 0.589 48 H N -1.078 117.691 119.070 -0.500 0.000 2.885 48 H HA 0.511 5.067 4.556 0.000 0.000 0.237 48 H C 1.048 176.193 175.328 -0.305 0.000 1.229 48 H CA 0.447 56.167 56.048 -0.545 0.000 0.947 48 H CB 0.677 29.704 29.762 -1.224 0.000 2.223 48 H HN 0.411 nan 8.280 nan 0.000 0.628 49 G N 0.591 109.324 108.800 -0.113 0.000 2.402 49 G HA2 -0.071 3.889 3.960 0.000 0.000 0.666 49 G HA3 -0.071 3.889 3.960 0.000 0.000 0.666 49 G C -1.792 173.091 174.900 -0.028 0.000 1.402 49 G CA -1.088 44.028 45.100 0.028 0.000 0.920 49 G HN 0.275 nan 8.290 nan 0.000 0.651 50 H N -0.665 118.408 119.070 0.005 0.000 2.479 50 H HA 0.765 5.321 4.556 0.000 0.000 0.335 50 H C 0.472 175.847 175.328 0.080 0.000 1.142 50 H CA -0.256 55.802 56.048 0.017 0.000 1.234 50 H CB 1.487 31.270 29.762 0.036 0.000 1.503 50 H HN 0.530 nan 8.280 nan 0.000 0.510 51 I N 3.326 123.996 120.570 0.167 0.000 2.447 51 I HA 0.139 4.310 4.170 0.000 0.000 0.287 51 I C -1.119 175.124 176.117 0.208 0.000 1.023 51 I CA -0.924 60.496 61.300 0.199 0.000 1.083 51 I CB 1.731 39.809 38.000 0.129 0.000 1.245 51 I HN 0.191 nan 8.210 nan 0.000 0.434 52 L N 8.581 129.944 121.223 0.233 0.000 2.262 52 L HA 0.474 4.814 4.340 0.000 0.000 0.288 52 L C -0.692 176.327 176.870 0.248 0.000 1.035 52 L CA -0.233 54.745 54.840 0.230 0.000 0.820 52 L CB 1.351 43.554 42.059 0.240 0.000 1.204 52 L HN 0.350 nan 8.230 nan 0.000 0.424 53 V N 4.985 125.040 119.914 0.235 0.000 2.288 53 V HA 0.270 4.390 4.120 0.000 0.000 0.266 53 V C -0.325 175.955 176.094 0.310 0.000 1.048 53 V CA -0.537 61.926 62.300 0.270 0.000 0.842 53 V CB 0.799 32.763 31.823 0.236 0.000 1.064 53 V HN 0.731 nan 8.190 nan 0.000 0.472 54 D N 4.410 124.992 120.400 0.304 0.000 2.347 54 D HA 0.213 4.853 4.640 0.000 0.000 0.235 54 D C 0.105 176.586 176.300 0.302 0.000 1.149 54 D CA -0.412 53.740 54.000 0.254 0.000 0.850 54 D CB 0.941 41.942 40.800 0.336 0.000 1.061 54 D HN 0.637 nan 8.370 nan 0.000 0.487 55 Y N 1.234 121.648 120.300 0.189 0.000 2.706 55 Y HA 0.251 4.801 4.550 0.000 0.000 0.255 55 Y C 1.392 177.410 175.900 0.197 0.000 1.163 55 Y CA -0.332 57.886 58.100 0.197 0.000 1.174 55 Y CB -0.344 38.225 38.460 0.183 0.000 1.200 55 Y HN 0.210 nan 8.280 nan 0.000 0.544 56 S N 0.225 115.928 115.700 0.005 0.000 2.453 56 S HA -0.049 4.421 4.470 0.000 0.000 0.231 56 S C 0.997 175.660 174.600 0.105 0.000 1.005 56 S CA 0.375 58.560 58.200 -0.026 0.000 0.949 56 S CB -0.293 62.986 63.200 0.133 0.000 0.774 56 S HN 0.511 nan 8.310 nan 0.000 0.510 57 K N 1.695 122.237 120.400 0.238 0.000 2.862 57 K HA 0.283 4.603 4.320 0.000 0.000 0.229 57 K C -0.688 176.031 176.600 0.197 0.000 1.107 57 K CA -0.139 56.305 56.287 0.262 0.000 1.222 57 K CB -0.301 32.281 32.500 0.138 0.000 1.067 57 K HN 0.408 nan 8.250 nan 0.000 0.464 58 N N 0.416 119.227 118.700 0.183 0.000 2.443 58 N HA 0.269 5.009 4.740 0.000 0.000 0.293 58 N C -0.481 175.169 175.510 0.233 0.000 1.159 58 N CA -0.639 52.580 53.050 0.281 0.000 0.904 58 N CB 1.312 40.015 38.487 0.360 0.000 1.214 58 N HN 0.001 nan 8.380 nan 0.000 0.513 59 L N 2.383 123.840 121.223 0.390 0.000 2.416 59 L HA 0.211 4.551 4.340 0.000 0.000 0.243 59 L C -0.551 176.599 176.870 0.467 0.000 1.373 59 L CA -0.343 54.751 54.840 0.424 0.000 1.227 59 L CB -1.335 41.039 42.059 0.525 0.000 1.428 59 L HN 0.288 nan 8.230 nan 0.000 0.425 60 V N -2.111 117.895 119.914 0.154 0.000 3.049 60 V HA 0.818 4.938 4.120 0.000 0.000 0.309 60 V C -0.032 175.982 176.094 -0.134 0.000 1.148 60 V CA -0.537 61.745 62.300 -0.029 0.000 0.990 60 V CB 1.943 33.697 31.823 -0.115 0.000 1.039 60 V HN 0.326 nan 8.190 nan 0.000 0.430 61 T N -1.207 113.281 114.554 -0.111 0.000 2.927 61 T HA 0.542 4.892 4.350 0.000 0.000 0.286 61 T C 0.707 175.478 174.700 0.118 0.000 1.040 61 T CA -0.265 61.842 62.100 0.012 0.000 1.010 61 T CB 1.923 70.799 68.868 0.012 0.000 1.177 61 T HN 0.747 nan 8.240 nan 0.000 0.546 62 E N 0.798 121.130 120.200 0.220 0.000 2.070 62 E HA -0.209 4.141 4.350 0.000 0.000 0.197 62 E C 1.471 177.991 176.600 -0.133 0.000 1.004 62 E CA 1.659 58.065 56.400 0.010 0.000 0.805 62 E CB -0.359 29.306 29.700 -0.060 0.000 0.744 62 E HN 0.644 nan 8.360 nan 0.000 0.451 63 D N 0.662 120.955 120.400 -0.178 0.000 2.104 63 D HA -0.127 4.513 4.640 0.000 0.000 0.194 63 D C 2.214 178.221 176.300 -0.489 0.000 0.994 63 D CA 0.927 54.751 54.000 -0.294 0.000 0.830 63 D CB -0.325 40.301 40.800 -0.289 0.000 0.959 63 D HN 0.011 nan 8.370 nan 0.000 0.452 64 V N 1.121 120.604 119.914 -0.717 0.000 2.287 64 V HA -0.269 3.851 4.120 0.000 0.000 0.248 64 V C 2.457 178.215 176.094 -0.560 0.000 1.053 64 V CA 1.333 63.105 62.300 -0.881 0.000 1.027 64 V CB -0.391 30.765 31.823 -1.111 0.000 0.646 64 V HN 0.217 nan 8.190 nan 0.000 0.447 65 M N -0.408 118.983 119.600 -0.348 0.000 2.213 65 M HA -0.142 4.338 4.480 0.000 0.000 0.263 65 M C 2.242 178.417 176.300 -0.209 0.000 1.062 65 M CA 1.622 56.789 55.300 -0.221 0.000 1.105 65 M CB -1.407 31.152 32.600 -0.069 0.000 1.385 65 M HN 0.377 nan 8.290 nan 0.000 0.417 66 R N 0.292 120.662 120.500 -0.215 0.000 2.062 66 R HA -0.054 4.286 4.340 0.000 0.000 0.229 66 R C 2.103 178.304 176.300 -0.164 0.000 1.128 66 R CA 1.247 57.243 56.100 -0.173 0.000 0.960 66 R CB -0.092 30.114 30.300 -0.158 0.000 0.855 66 R HN 0.286 nan 8.270 nan 0.000 0.432 67 M N 0.636 120.111 119.600 -0.209 0.000 2.229 67 M HA -0.134 4.346 4.480 0.000 0.000 0.264 67 M C 2.181 178.401 176.300 -0.133 0.000 1.063 67 M CA 1.382 56.585 55.300 -0.162 0.000 1.114 67 M CB -0.103 32.380 32.600 -0.196 0.000 1.387 67 M HN 0.208 nan 8.290 nan 0.000 0.420 68 L N -0.887 120.226 121.223 -0.184 0.000 2.056 68 L HA -0.153 4.187 4.340 0.000 0.000 0.207 68 L C 2.411 179.221 176.870 -0.100 0.000 1.078 68 L CA 0.712 55.472 54.840 -0.133 0.000 0.749 68 L CB -0.590 41.358 42.059 -0.186 0.000 0.901 68 L HN 0.083 nan 8.230 nan 0.000 0.433 69 V N -0.271 119.575 119.914 -0.113 0.000 2.343 69 V HA -0.289 3.831 4.120 0.000 0.000 0.247 69 V C 2.116 178.166 176.094 -0.072 0.000 1.051 69 V CA 1.794 64.039 62.300 -0.092 0.000 1.036 69 V CB -0.475 31.289 31.823 -0.098 0.000 0.654 69 V HN 0.432 nan 8.190 nan 0.000 0.451 70 D N -0.203 120.155 120.400 -0.070 0.000 2.123 70 D HA -0.169 4.472 4.640 0.000 0.000 0.196 70 D C 1.959 178.240 176.300 -0.031 0.000 0.992 70 D CA 1.228 55.199 54.000 -0.049 0.000 0.833 70 D CB -0.224 40.549 40.800 -0.044 0.000 0.954 70 D HN 0.363 nan 8.370 nan 0.000 0.455 71 L N 0.765 121.973 121.223 -0.024 0.000 2.083 71 L HA -0.064 4.276 4.340 0.000 0.000 0.209 71 L C 2.098 178.949 176.870 -0.032 0.000 1.083 71 L CA 1.723 56.562 54.840 -0.002 0.000 0.752 71 L CB -0.625 41.452 42.059 0.030 0.000 0.899 71 L HN -0.039 nan 8.230 nan 0.000 0.433 72 A N -0.764 122.026 122.820 -0.049 0.000 1.933 72 A HA -0.187 4.133 4.320 0.000 0.000 0.218 72 A C 2.321 179.877 177.584 -0.047 0.000 1.175 72 A CA 1.748 53.751 52.037 -0.057 0.000 0.628 72 A CB -0.425 18.542 19.000 -0.055 0.000 0.814 72 A HN 0.498 nan 8.150 nan 0.000 0.444 73 K N -0.645 119.728 120.400 -0.044 0.000 2.007 73 K HA -0.081 4.239 4.320 0.000 0.000 0.206 73 K C 2.451 179.031 176.600 -0.033 0.000 1.047 73 K CA 1.327 57.589 56.287 -0.042 0.000 0.937 73 K CB -0.347 32.126 32.500 -0.045 0.000 0.718 73 K HN 0.440 nan 8.250 nan 0.000 0.438 74 S N 0.912 116.597 115.700 -0.025 0.000 2.400 74 S HA -0.108 4.362 4.470 0.000 0.000 0.232 74 S C 1.832 176.421 174.600 -0.019 0.000 1.025 74 S CA 1.039 59.230 58.200 -0.015 0.000 0.993 74 S CB -0.005 63.196 63.200 0.001 0.000 0.808 74 S HN 0.167 nan 8.310 nan 0.000 0.478 75 R N 0.254 120.735 120.500 -0.031 0.000 2.299 75 R HA 0.149 4.489 4.340 0.000 0.000 0.197 75 R C 1.565 177.841 176.300 -0.040 0.000 0.971 75 R CA 0.726 56.801 56.100 -0.043 0.000 1.030 75 R CB -0.882 29.375 30.300 -0.072 0.000 0.932 75 R HN 0.572 nan 8.270 nan 0.000 0.477 76 G N 0.568 109.348 108.800 -0.034 0.000 2.171 76 G HA2 -0.237 3.724 3.960 0.000 0.000 0.238 76 G HA3 -0.237 3.724 3.960 0.000 0.000 0.238 76 G C 0.814 175.704 174.900 -0.016 0.000 1.039 76 G CA 0.268 45.353 45.100 -0.025 0.000 0.759 76 G HN 0.162 nan 8.290 nan 0.000 0.501 77 V N -0.177 119.725 119.914 -0.020 0.000 2.392 77 V HA -0.193 3.927 4.120 0.000 0.000 0.249 77 V C 2.584 178.712 176.094 0.056 0.000 1.059 77 V CA 2.874 65.183 62.300 0.017 0.000 1.051 77 V CB -0.380 31.454 31.823 0.018 0.000 0.658 77 V HN 0.662 nan 8.190 nan 0.000 0.455 78 E N 0.063 120.255 120.200 -0.014 0.000 2.107 78 E HA -0.112 4.239 4.350 0.000 0.000 0.191 78 E C 2.320 178.892 176.600 -0.046 0.000 0.982 78 E CA 1.165 57.523 56.400 -0.069 0.000 0.809 78 E CB -0.317 29.316 29.700 -0.112 0.000 0.756 78 E HN 0.612 nan 8.360 nan 0.000 0.459 79 A N 1.514 124.323 122.820 -0.018 0.000 1.873 79 A HA -0.070 4.250 4.320 0.000 0.000 0.215 79 A C 2.415 180.029 177.584 0.050 0.000 1.186 79 A CA 1.542 53.575 52.037 -0.006 0.000 0.616 79 A CB -0.750 18.245 19.000 -0.008 0.000 0.823 79 A HN 0.285 nan 8.150 nan 0.000 0.442 80 A N -0.092 122.787 122.820 0.099 0.000 1.917 80 A HA -0.236 4.084 4.320 0.000 0.000 0.219 80 A C 2.278 180.098 177.584 0.393 0.000 1.182 80 A CA 1.996 54.163 52.037 0.215 0.000 0.633 80 A CB -0.597 18.499 19.000 0.161 0.000 0.819 80 A HN 0.582 nan 8.150 nan 0.000 0.448 81 R N -0.576 120.143 120.500 0.364 0.000 2.080 81 R HA -0.186 4.154 4.340 0.000 0.000 0.236 81 R C 1.970 178.336 176.300 0.109 0.000 1.137 81 R CA 1.826 58.082 56.100 0.260 0.000 0.943 81 R CB -0.323 29.937 30.300 -0.067 0.000 0.846 81 R HN 0.462 nan 8.270 nan 0.000 0.431 82 E N 0.738 120.933 120.200 -0.009 0.000 2.058 82 E HA -0.203 4.147 4.350 0.000 0.000 0.194 82 E C 2.111 178.727 176.600 0.026 0.000 0.997 82 E CA 1.306 57.681 56.400 -0.041 0.000 0.801 82 E CB -0.299 29.347 29.700 -0.090 0.000 0.746 82 E HN 0.426 nan 8.360 nan 0.000 0.450 83 R N 0.179 120.708 120.500 0.047 0.000 2.103 83 R HA -0.142 4.198 4.340 0.000 0.000 0.242 83 R C 2.483 178.790 176.300 0.012 0.000 1.142 83 R CA 1.775 57.898 56.100 0.038 0.000 0.960 83 R CB -0.490 29.852 30.300 0.071 0.000 0.858 83 R HN 0.248 nan 8.270 nan 0.000 0.439 84 M N -0.041 119.577 119.600 0.029 0.000 2.099 84 M HA -0.126 4.354 4.480 0.000 0.000 0.262 84 M C 1.529 177.691 176.300 -0.230 0.000 1.067 84 M CA 1.765 56.979 55.300 -0.143 0.000 1.124 84 M CB -0.066 32.361 32.600 -0.288 0.000 1.353 84 M HN -0.013 nan 8.290 nan 0.000 0.410 85 F N 0.973 120.769 119.950 -0.257 0.000 2.293 85 F HA -0.076 4.451 4.527 0.000 0.000 0.300 85 F C 1.606 177.271 175.800 -0.226 0.000 1.086 85 F CA 1.487 59.332 58.000 -0.258 0.000 1.375 85 F CB -0.568 38.282 39.000 -0.249 0.000 1.045 85 F HN 0.345 nan 8.300 nan 0.000 0.516 86 N N -0.920 117.768 118.700 -0.021 0.000 2.398 86 N HA 0.160 4.900 4.740 0.000 0.000 0.188 86 N C 1.407 176.839 175.510 -0.130 0.000 1.122 86 N CA 0.517 53.524 53.050 -0.072 0.000 0.866 86 N CB 0.205 38.660 38.487 -0.052 0.000 0.970 86 N HN 0.306 nan 8.380 nan 0.000 0.462 87 G N 0.901 109.591 108.800 -0.184 0.000 2.175 87 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 87 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 87 G C -0.124 174.696 174.900 -0.135 0.000 0.982 87 G CA -0.293 44.674 45.100 -0.220 0.000 0.641 87 G HN 0.366 nan 8.290 nan 0.000 0.527 88 E N 0.440 120.590 120.200 -0.083 0.000 2.436 88 E HA 0.242 4.592 4.350 0.000 0.000 0.262 88 E C 0.244 176.839 176.600 -0.009 0.000 1.063 88 E CA 0.194 56.577 56.400 -0.030 0.000 0.944 88 E CB 0.383 30.082 29.700 -0.002 0.000 0.950 88 E HN 0.325 nan 8.360 nan 0.000 0.444 89 K N 2.475 122.896 120.400 0.036 0.000 2.751 89 K HA 0.081 4.401 4.320 0.000 0.000 0.252 89 K C 1.129 177.810 176.600 0.135 0.000 1.277 89 K CA -0.057 56.276 56.287 0.076 0.000 1.226 89 K CB -0.541 32.016 32.500 0.094 0.000 1.658 89 K HN 0.483 nan 8.250 nan 0.000 0.303 90 I N -2.428 118.217 120.570 0.124 0.000 2.830 90 I HA -0.108 4.062 4.170 0.000 0.000 0.263 90 I C 0.807 177.107 176.117 0.305 0.000 1.230 90 I CA 0.572 62.015 61.300 0.238 0.000 1.480 90 I CB -0.067 38.062 38.000 0.214 0.000 1.095 90 I HN 0.131 nan 8.210 nan 0.000 0.455 91 N N 1.688 120.486 118.700 0.163 0.000 2.819 91 N HA -0.059 4.681 4.740 0.000 0.000 0.284 91 N C 0.758 176.336 175.510 0.113 0.000 1.196 91 N CA -0.123 53.000 53.050 0.121 0.000 1.114 91 N CB -0.322 38.233 38.487 0.114 0.000 1.437 91 N HN 0.604 nan 8.380 nan 0.000 0.518 92 Y N -0.021 120.389 120.300 0.184 0.000 2.242 92 Y HA -0.072 4.478 4.550 0.000 0.000 0.291 92 Y C 2.261 178.268 175.900 0.178 0.000 1.137 92 Y CA 1.267 59.460 58.100 0.155 0.000 1.181 92 Y CB -1.202 37.334 38.460 0.126 0.000 0.989 92 Y HN 0.287 nan 8.280 nan 0.000 0.527 93 T N -2.012 112.593 114.554 0.085 0.000 3.051 93 T HA -0.069 4.281 4.350 0.000 0.000 0.269 93 T C 1.051 175.954 174.700 0.339 0.000 1.127 93 T CA 1.385 63.636 62.100 0.252 0.000 1.107 93 T CB -0.319 68.763 68.868 0.356 0.000 0.898 93 T HN 0.645 nan 8.240 nan 0.000 0.517 94 E N 0.281 120.638 120.200 0.262 0.000 2.562 94 E HA 0.373 4.723 4.350 0.000 0.000 0.214 94 E C 1.036 177.747 176.600 0.184 0.000 0.979 94 E CA -0.096 56.454 56.400 0.249 0.000 1.002 94 E CB 0.544 30.342 29.700 0.163 0.000 1.048 94 E HN 0.538 nan 8.360 nan 0.000 0.488 95 G N 2.649 111.556 108.800 0.179 0.000 2.314 95 G HA2 -0.319 3.641 3.960 0.000 0.000 0.292 95 G HA3 -0.319 3.641 3.960 0.000 0.000 0.292 95 G C -0.213 174.773 174.900 0.143 0.000 1.059 95 G CA 0.346 45.540 45.100 0.157 0.000 0.982 95 G HN 0.086 nan 8.290 nan 0.000 0.505 96 R N -0.473 120.113 120.500 0.144 0.000 2.670 96 R HA 0.726 5.066 4.340 0.000 0.000 0.289 96 R C 0.560 176.933 176.300 0.122 0.000 0.965 96 R CA -0.281 55.908 56.100 0.148 0.000 0.899 96 R CB 1.684 32.079 30.300 0.157 0.000 1.173 96 R HN 0.569 nan 8.270 nan 0.000 0.456 97 A N 1.699 124.598 122.820 0.133 0.000 2.406 97 A HA 0.318 4.638 4.320 0.000 0.000 0.243 97 A C -0.204 177.412 177.584 0.054 0.000 1.082 97 A CA -0.153 51.908 52.037 0.041 0.000 0.786 97 A CB 0.564 19.548 19.000 -0.026 0.000 1.029 97 A HN 0.400 nan 8.150 nan 0.000 0.495 98 V N 2.672 122.505 119.914 -0.136 0.000 2.357 98 V HA 0.307 4.427 4.120 0.000 0.000 0.281 98 V C -0.230 175.639 176.094 -0.375 0.000 1.015 98 V CA 0.097 62.243 62.300 -0.257 0.000 0.827 98 V CB 0.623 32.035 31.823 -0.686 0.000 1.018 98 V HN 0.719 nan 8.190 nan 0.000 0.432 99 L N 5.184 126.316 121.223 -0.152 0.000 3.059 99 L HA 0.323 4.663 4.340 0.000 0.000 0.298 99 L C 1.702 178.522 176.870 -0.084 0.000 1.304 99 L CA -0.291 54.352 54.840 -0.328 0.000 0.855 99 L CB 0.206 41.885 42.059 -0.634 0.000 1.266 99 L HN 0.806 nan 8.230 nan 0.000 0.572 100 H N -0.767 118.301 119.070 -0.002 0.000 2.491 100 H HA -0.076 4.480 4.556 0.000 0.000 0.290 100 H C 1.855 177.098 175.328 -0.141 0.000 1.050 100 H CA 1.541 57.629 56.048 0.066 0.000 1.309 100 H CB -0.397 29.449 29.762 0.141 0.000 1.392 100 H HN 0.453 nan 8.280 nan 0.000 0.554 101 V N -0.296 119.349 119.914 -0.447 0.000 2.515 101 V HA -0.025 4.095 4.120 0.000 0.000 0.250 101 V C 2.871 178.807 176.094 -0.262 0.000 1.058 101 V CA 1.281 63.343 62.300 -0.397 0.000 1.064 101 V CB -1.193 30.199 31.823 -0.717 0.000 0.675 101 V HN 0.456 nan 8.190 nan 0.000 0.461 102 A N 0.838 123.498 122.820 -0.267 0.000 2.019 102 A HA -0.015 4.305 4.320 0.000 0.000 0.219 102 A C 2.200 179.759 177.584 -0.042 0.000 1.164 102 A CA 2.054 53.965 52.037 -0.210 0.000 0.644 102 A CB -0.685 18.081 19.000 -0.390 0.000 0.805 102 A HN 0.616 nan 8.150 nan 0.000 0.449 103 L N -0.493 120.786 121.223 0.093 0.000 2.217 103 L HA -0.085 4.256 4.340 0.000 0.000 0.211 103 L C 2.248 179.176 176.870 0.097 0.000 1.107 103 L CA 1.225 56.198 54.840 0.222 0.000 0.783 103 L CB -0.263 42.016 42.059 0.367 0.000 0.919 103 L HN 0.510 nan 8.230 nan 0.000 0.442 104 R N -0.621 119.846 120.500 -0.055 0.000 2.613 104 R HA 0.109 4.449 4.340 0.000 0.000 0.361 104 R C 0.023 176.154 176.300 -0.281 0.000 1.072 104 R CA -0.199 55.818 56.100 -0.139 0.000 1.089 104 R CB -0.783 29.381 30.300 -0.227 0.000 1.343 104 R HN 0.025 nan 8.270 nan 0.000 0.571 105 N N 2.190 120.716 118.700 -0.291 0.000 2.819 105 N HA 0.019 4.759 4.740 0.000 0.000 0.284 105 N C 0.507 175.710 175.510 -0.511 0.000 1.196 105 N CA -0.210 52.538 53.050 -0.503 0.000 1.114 105 N CB 0.494 38.838 38.487 -0.239 0.000 1.437 105 N HN 0.043 nan 8.380 nan 0.000 0.518 106 R N 0.686 120.728 120.500 -0.764 0.000 2.237 106 R HA 0.017 4.357 4.340 0.000 0.000 0.219 106 R C 1.041 177.276 176.300 -0.108 0.000 1.080 106 R CA 0.407 56.347 56.100 -0.266 0.000 0.995 106 R CB -0.576 29.694 30.300 -0.050 0.000 0.875 106 R HN 0.372 nan 8.270 nan 0.000 0.462 107 S N 0.863 116.494 115.700 -0.115 0.000 2.522 107 S HA -0.027 4.443 4.470 0.000 0.000 0.227 107 S C 0.321 174.927 174.600 0.009 0.000 0.986 107 S CA 0.209 58.454 58.200 0.076 0.000 0.929 107 S CB -0.229 63.097 63.200 0.210 0.000 0.769 107 S HN 0.450 nan 8.310 nan 0.000 0.529 108 N N 0.934 119.607 118.700 -0.045 0.000 2.678 108 N HA -0.138 4.602 4.740 0.000 0.000 0.249 108 N C -0.778 174.716 175.510 -0.028 0.000 1.119 108 N CA 0.825 53.854 53.050 -0.035 0.000 0.718 108 N CB -1.488 36.993 38.487 -0.009 0.000 1.060 108 N HN 0.258 nan 8.380 nan 0.000 0.552 109 T N 1.363 115.903 114.554 -0.022 0.000 2.902 109 T HA 0.174 4.524 4.350 0.000 0.000 0.301 109 T C -2.093 172.577 174.700 -0.050 0.000 1.012 109 T CA -0.616 61.470 62.100 -0.024 0.000 1.151 109 T CB 0.657 69.518 68.868 -0.010 0.000 0.946 109 T HN -0.031 nan 8.240 nan 0.000 0.542 110 P HA 0.211 nan 4.420 nan 0.000 0.264 110 P C -0.549 176.692 177.300 -0.098 0.000 1.193 110 P CA 0.098 63.153 63.100 -0.074 0.000 0.763 110 P CB 0.273 31.937 31.700 -0.061 0.000 0.810 111 I N 3.948 124.432 120.570 -0.142 0.000 2.418 111 I HA 0.309 4.479 4.170 0.000 0.000 0.287 111 I C -0.122 175.867 176.117 -0.214 0.000 1.008 111 I CA -0.738 60.450 61.300 -0.187 0.000 1.104 111 I CB 1.224 39.069 38.000 -0.258 0.000 1.264 111 I HN 0.051 nan 8.210 nan 0.000 0.438 112 L N 6.656 127.771 121.223 -0.179 0.000 2.331 112 L HA 0.711 5.051 4.340 0.000 0.000 0.275 112 L C -0.646 176.116 176.870 -0.180 0.000 1.022 112 L CA -1.035 53.709 54.840 -0.159 0.000 0.812 112 L CB 1.974 43.972 42.059 -0.102 0.000 1.257 112 L HN 0.230 nan 8.230 nan 0.000 0.435 113 V N 1.107 120.927 119.914 -0.157 0.000 2.525 113 V HA 0.243 4.363 4.120 0.000 0.000 0.299 113 V C -0.667 175.400 176.094 -0.046 0.000 1.034 113 V CA -0.486 61.740 62.300 -0.123 0.000 0.863 113 V CB 1.534 33.264 31.823 -0.156 0.000 0.999 113 V HN 0.841 nan 8.190 nan 0.000 0.423 114 D N 4.263 124.648 120.400 -0.024 0.000 2.751 114 D HA -0.196 4.444 4.640 0.000 0.000 0.233 114 D C 1.349 177.643 176.300 -0.011 0.000 1.149 114 D CA 1.983 55.981 54.000 -0.002 0.000 0.682 114 D CB -1.044 39.771 40.800 0.025 0.000 1.068 114 D HN 1.468 nan 8.370 nan 0.000 0.429 115 G N -0.522 108.261 108.800 -0.028 0.000 2.179 115 G HA2 -0.374 3.586 3.960 0.000 0.000 0.260 115 G HA3 -0.374 3.586 3.960 0.000 0.000 0.260 115 G C 0.312 175.192 174.900 -0.034 0.000 0.977 115 G CA 0.663 45.745 45.100 -0.029 0.000 0.641 115 G HN 0.599 nan 8.290 nan 0.000 0.533 116 K N 0.843 121.219 120.400 -0.040 0.000 2.274 116 K HA 0.418 4.738 4.320 0.000 0.000 0.262 116 K C -0.893 175.660 176.600 -0.079 0.000 0.961 116 K CA -0.796 55.465 56.287 -0.043 0.000 0.833 116 K CB 0.875 33.362 32.500 -0.021 0.000 1.102 116 K HN 0.035 nan 8.250 nan 0.000 0.436 117 D N 3.596 123.950 120.400 -0.078 0.000 2.434 117 D HA -0.054 4.586 4.640 0.000 0.000 0.252 117 D C 1.142 177.367 176.300 -0.125 0.000 1.185 117 D CA -0.092 53.844 54.000 -0.106 0.000 0.886 117 D CB 1.214 41.967 40.800 -0.079 0.000 1.148 117 D HN 0.335 nan 8.370 nan 0.000 0.483 118 V N 2.295 122.090 119.914 -0.198 0.000 3.129 118 V HA -0.102 4.019 4.120 0.000 0.000 0.259 118 V C 2.038 178.019 176.094 -0.189 0.000 1.116 118 V CA 0.314 62.477 62.300 -0.228 0.000 1.127 118 V CB -0.482 31.098 31.823 -0.405 0.000 0.742 118 V HN 0.434 nan 8.190 nan 0.000 0.474 119 M N 0.891 120.404 119.600 -0.146 0.000 2.149 119 M HA -0.016 4.464 4.480 0.000 0.000 0.261 119 M C 0.169 176.451 176.300 -0.029 0.000 1.064 119 M CA 1.644 56.893 55.300 -0.085 0.000 1.102 119 M CB -2.543 30.013 32.600 -0.073 0.000 1.369 119 M HN 0.355 nan 8.290 nan 0.000 0.408 120 P HA -0.125 nan 4.420 nan 0.000 0.216 120 P C 1.483 178.812 177.300 0.048 0.000 1.153 120 P CA 1.093 64.202 63.100 0.015 0.000 0.848 120 P CB -0.084 31.619 31.700 0.006 0.000 0.787 121 E N -0.580 119.627 120.200 0.012 0.000 2.152 121 E HA -0.070 4.281 4.350 0.000 0.000 0.192 121 E C 2.044 178.783 176.600 0.232 0.000 0.983 121 E CA 0.791 57.253 56.400 0.103 0.000 0.818 121 E CB -0.635 29.086 29.700 0.034 0.000 0.758 121 E HN 0.073 nan 8.360 nan 0.000 0.467 122 V N 2.315 122.274 119.914 0.074 0.000 2.343 122 V HA -0.220 3.900 4.120 0.000 0.000 0.247 122 V C 1.913 178.194 176.094 0.313 0.000 1.051 122 V CA 1.490 63.967 62.300 0.295 0.000 1.036 122 V CB -0.392 31.535 31.823 0.173 0.000 0.654 122 V HN 0.214 nan 8.190 nan 0.000 0.451 123 N N -0.201 118.616 118.700 0.195 0.000 2.354 123 N HA -0.096 4.644 4.740 0.000 0.000 0.179 123 N C 1.827 177.445 175.510 0.179 0.000 1.021 123 N CA 0.884 54.042 53.050 0.179 0.000 0.887 123 N CB -0.090 38.466 38.487 0.115 0.000 0.974 123 N HN 0.521 nan 8.380 nan 0.000 0.437 124 K N 1.051 121.559 120.400 0.180 0.000 2.031 124 K HA -0.007 4.314 4.320 0.000 0.000 0.205 124 K C 1.763 178.477 176.600 0.190 0.000 1.049 124 K CA 0.767 57.148 56.287 0.156 0.000 0.939 124 K CB 0.034 32.618 32.500 0.141 0.000 0.717 124 K HN -0.178 nan 8.250 nan 0.000 0.438 125 V N 2.056 122.136 119.914 0.277 0.000 2.380 125 V HA -0.272 3.848 4.120 0.000 0.000 0.251 125 V C 2.334 178.600 176.094 0.287 0.000 1.063 125 V CA 1.645 64.117 62.300 0.287 0.000 1.055 125 V CB -0.375 31.658 31.823 0.351 0.000 0.657 125 V HN 0.327 nan 8.190 nan 0.000 0.455 126 L N -0.481 120.928 121.223 0.311 0.000 2.093 126 L HA -0.159 4.181 4.340 0.000 0.000 0.208 126 L C 2.365 179.300 176.870 0.109 0.000 1.085 126 L CA 1.491 56.547 54.840 0.361 0.000 0.755 126 L CB -0.642 41.695 42.059 0.463 0.000 0.904 126 L HN 0.339 nan 8.230 nan 0.000 0.435 127 D N -0.090 120.354 120.400 0.073 0.000 2.117 127 D HA -0.195 4.445 4.640 0.000 0.000 0.198 127 D C 2.083 178.359 176.300 -0.040 0.000 0.982 127 D CA 1.042 55.018 54.000 -0.039 0.000 0.828 127 D CB 0.013 40.827 40.800 0.023 0.000 0.967 127 D HN 0.245 nan 8.370 nan 0.000 0.464 128 K N 0.446 120.884 120.400 0.064 0.000 2.026 128 K HA -0.107 4.213 4.320 0.000 0.000 0.208 128 K C 2.242 178.975 176.600 0.222 0.000 1.048 128 K CA 0.848 57.204 56.287 0.115 0.000 0.929 128 K CB -0.069 32.488 32.500 0.094 0.000 0.713 128 K HN 0.040 nan 8.250 nan 0.000 0.439 129 M N 0.967 120.707 119.600 0.234 0.000 2.082 129 M HA -0.229 4.251 4.480 0.000 0.000 0.258 129 M C 2.409 178.694 176.300 -0.026 0.000 1.069 129 M CA 1.862 57.252 55.300 0.150 0.000 1.102 129 M CB -0.345 32.354 32.600 0.165 0.000 1.336 129 M HN 0.136 nan 8.290 nan 0.000 0.404 130 K N -0.226 119.886 120.400 -0.480 0.000 2.032 130 K HA -0.192 4.128 4.320 0.000 0.000 0.209 130 K C 2.219 178.702 176.600 -0.196 0.000 1.048 130 K CA 1.905 57.747 56.287 -0.742 0.000 0.927 130 K CB -0.219 31.537 32.500 -1.240 0.000 0.712 130 K HN 0.182 nan 8.250 nan 0.000 0.441 131 S N -0.119 115.536 115.700 -0.075 0.000 2.370 131 S HA -0.183 4.287 4.470 0.000 0.000 0.226 131 S C 1.754 176.427 174.600 0.121 0.000 1.033 131 S CA 1.260 59.484 58.200 0.040 0.000 1.011 131 S CB -0.483 62.763 63.200 0.077 0.000 0.852 131 S HN 0.446 nan 8.310 nan 0.000 0.457 132 F N 1.750 121.712 119.950 0.020 0.000 2.095 132 F HA -0.137 4.390 4.527 0.000 0.000 0.298 132 F C 2.612 178.358 175.800 -0.091 0.000 1.104 132 F CA 1.424 59.414 58.000 -0.017 0.000 1.232 132 F CB -0.998 38.023 39.000 0.034 0.000 0.987 132 F HN 0.309 nan 8.300 nan 0.000 0.475 133 C N 0.189 119.500 119.300 0.018 0.000 2.413 133 C HA -0.225 4.235 4.460 0.000 0.000 0.276 133 C C 2.835 177.772 174.990 -0.089 0.000 1.236 133 C CA 1.454 60.433 59.018 -0.066 0.000 1.735 133 C CB -1.224 26.555 27.740 0.064 0.000 2.031 133 C HN 0.562 nan 8.230 nan 0.000 0.474 134 Q N 0.948 120.728 119.800 -0.033 0.000 2.084 134 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 134 Q C 2.313 178.292 176.000 -0.035 0.000 0.978 134 Q CA 1.648 57.441 55.803 -0.016 0.000 0.844 134 Q CB -0.302 28.442 28.738 0.008 0.000 0.898 134 Q HN 0.645 nan 8.270 nan 0.000 0.426 135 R N -0.670 119.802 120.500 -0.047 0.000 2.092 135 R HA -0.055 4.286 4.340 0.000 0.000 0.231 135 R C 2.462 178.718 176.300 -0.073 0.000 1.119 135 R CA 1.314 57.410 56.100 -0.006 0.000 0.970 135 R CB -0.117 30.248 30.300 0.108 0.000 0.864 135 R HN 0.094 nan 8.270 nan 0.000 0.440 136 V N 0.769 120.497 119.914 -0.310 0.000 2.323 136 V HA -0.192 3.928 4.120 0.000 0.000 0.244 136 V C 2.179 178.174 176.094 -0.165 0.000 1.041 136 V CA 1.665 63.752 62.300 -0.354 0.000 1.025 136 V CB -0.439 30.978 31.823 -0.677 0.000 0.656 136 V HN 0.241 nan 8.190 nan 0.000 0.451 137 R N 0.990 121.409 120.500 -0.135 0.000 2.096 137 R HA -0.123 4.217 4.340 0.000 0.000 0.235 137 R C 2.557 178.836 176.300 -0.034 0.000 1.127 137 R CA 1.636 57.695 56.100 -0.069 0.000 0.968 137 R CB -0.514 29.757 30.300 -0.048 0.000 0.861 137 R HN 0.656 nan 8.270 nan 0.000 0.440 138 S N -1.057 114.629 115.700 -0.023 0.000 2.489 138 S HA 0.048 4.518 4.470 0.000 0.000 0.228 138 S C 1.508 176.113 174.600 0.008 0.000 0.995 138 S CA 0.835 59.034 58.200 -0.002 0.000 0.934 138 S CB 0.480 63.685 63.200 0.007 0.000 0.771 138 S HN 0.528 nan 8.310 nan 0.000 0.522 139 G N 1.032 109.839 108.800 0.013 0.000 2.195 139 G HA2 -0.272 3.688 3.960 0.000 0.000 0.224 139 G HA3 -0.272 3.688 3.960 0.000 0.000 0.224 139 G C 0.531 175.460 174.900 0.047 0.000 0.990 139 G CA 0.547 45.664 45.100 0.029 0.000 0.639 139 G HN 0.545 nan 8.290 nan 0.000 0.514 140 D N -0.478 119.955 120.400 0.055 0.000 2.144 140 D HA -0.076 4.564 4.640 0.000 0.000 0.199 140 D C 0.928 177.286 176.300 0.097 0.000 0.984 140 D CA 0.755 54.794 54.000 0.064 0.000 0.834 140 D CB -0.080 40.761 40.800 0.069 0.000 0.955 140 D HN 0.420 nan 8.370 nan 0.000 0.465 141 W N 2.554 123.806 121.300 -0.080 0.000 2.416 141 W HA 0.248 4.909 4.660 0.000 0.000 0.318 141 W C -0.540 175.936 176.519 -0.071 0.000 1.150 141 W CA -0.575 56.719 57.345 -0.086 0.000 1.392 141 W CB 0.284 29.636 29.460 -0.180 0.000 1.311 141 W HN -0.232 nan 8.180 nan 0.000 0.436 142 K N 3.879 124.190 120.400 -0.147 0.000 2.098 142 K HA 0.491 4.812 4.320 0.000 0.000 0.258 142 K C 0.604 177.152 176.600 -0.087 0.000 0.973 142 K CA -0.490 55.759 56.287 -0.062 0.000 0.898 142 K CB 1.275 33.733 32.500 -0.069 0.000 1.057 142 K HN 0.579 nan 8.250 nan 0.000 0.447 143 G N 0.232 109.061 108.800 0.048 0.000 2.535 143 G HA2 0.079 4.039 3.960 0.000 0.000 0.282 143 G HA3 0.079 4.039 3.960 0.000 0.000 0.282 143 G C 0.554 175.637 174.900 0.305 0.000 1.350 143 G CA -0.256 44.956 45.100 0.186 0.000 1.039 143 G HN 0.721 nan 8.290 nan 0.000 0.509 144 Y N -2.019 118.610 120.300 0.549 0.000 2.639 144 Y HA 0.110 4.660 4.550 0.000 0.000 0.297 144 Y C 1.788 177.773 175.900 0.142 0.000 1.151 144 Y CA 1.108 59.385 58.100 0.295 0.000 1.335 144 Y CB -0.237 38.400 38.460 0.295 0.000 0.994 144 Y HN 0.307 nan 8.280 nan 0.000 0.548 145 T N -3.999 110.398 114.554 -0.261 0.000 3.200 145 T HA 0.516 4.867 4.350 0.000 0.000 0.284 145 T C 1.264 175.907 174.700 -0.095 0.000 1.009 145 T CA -0.026 61.943 62.100 -0.218 0.000 0.907 145 T CB 0.089 68.740 68.868 -0.363 0.000 1.120 145 T HN 0.760 nan 8.240 nan 0.000 0.534 146 G N 1.622 110.397 108.800 -0.042 0.000 2.141 146 G HA2 -0.229 3.731 3.960 0.000 0.000 0.242 146 G HA3 -0.229 3.731 3.960 0.000 0.000 0.242 146 G C -0.121 174.772 174.900 -0.012 0.000 0.982 146 G CA -0.071 45.016 45.100 -0.023 0.000 0.662 146 G HN 0.658 nan 8.290 nan 0.000 0.527 147 K N 1.193 121.590 120.400 -0.004 0.000 2.118 147 K HA 0.541 4.861 4.320 0.000 0.000 0.267 147 K C 1.072 177.700 176.600 0.047 0.000 0.991 147 K CA 0.095 56.393 56.287 0.018 0.000 0.916 147 K CB 0.980 33.490 32.500 0.018 0.000 1.041 147 K HN 0.323 nan 8.250 nan 0.000 0.455 148 T N -0.827 113.755 114.554 0.045 0.000 2.860 148 T HA 0.217 4.567 4.350 0.000 0.000 0.299 148 T C 0.632 175.372 174.700 0.067 0.000 1.045 148 T CA -0.814 61.320 62.100 0.057 0.000 1.071 148 T CB 0.389 69.279 68.868 0.037 0.000 0.985 148 T HN 0.209 nan 8.240 nan 0.000 0.537 149 I N 3.367 123.975 120.570 0.062 0.000 2.471 149 I HA 0.136 4.307 4.170 0.000 0.000 0.286 149 I C 1.744 177.880 176.117 0.031 0.000 1.079 149 I CA 0.016 61.343 61.300 0.045 0.000 1.398 149 I CB 0.563 38.554 38.000 -0.014 0.000 1.403 149 I HN 1.081 nan 8.210 nan 0.000 0.530 150 T N 0.597 115.184 114.554 0.055 0.000 2.985 150 T HA 0.276 4.626 4.350 0.000 0.000 0.254 150 T C 0.146 174.897 174.700 0.085 0.000 1.021 150 T CA -0.181 61.957 62.100 0.064 0.000 0.957 150 T CB 0.149 69.066 68.868 0.083 0.000 1.047 150 T HN 0.500 nan 8.240 nan 0.000 0.511 151 D N -0.013 120.429 120.400 0.070 0.000 2.927 151 D HA 0.596 5.237 4.640 0.000 0.000 0.219 151 D C -1.650 174.635 176.300 -0.024 0.000 1.248 151 D CA -0.456 53.609 54.000 0.107 0.000 0.861 151 D CB 2.725 43.606 40.800 0.135 0.000 1.677 151 D HN 0.025 nan 8.370 nan 0.000 0.511 152 V N 2.531 122.432 119.914 -0.022 0.000 2.540 152 V HA 0.571 4.691 4.120 0.000 0.000 0.302 152 V C -0.746 175.216 176.094 -0.219 0.000 1.035 152 V CA -0.631 61.563 62.300 -0.177 0.000 0.873 152 V CB 1.586 33.309 31.823 -0.167 0.000 0.992 152 V HN 0.434 nan 8.190 nan 0.000 0.428 153 I N 3.944 124.260 120.570 -0.423 0.000 2.410 153 I HA 0.389 4.559 4.170 0.000 0.000 0.286 153 I C -0.143 175.773 176.117 -0.336 0.000 1.009 153 I CA -0.260 60.788 61.300 -0.421 0.000 1.111 153 I CB 1.622 39.223 38.000 -0.664 0.000 1.262 153 I HN 0.556 nan 8.210 nan 0.000 0.443 154 N N 6.375 124.847 118.700 -0.380 0.000 2.444 154 N HA 0.588 5.329 4.740 0.000 0.000 0.271 154 N C -1.151 174.293 175.510 -0.110 0.000 1.069 154 N CA -0.125 52.777 53.050 -0.245 0.000 0.965 154 N CB 0.792 39.087 38.487 -0.321 0.000 1.092 154 N HN 0.491 nan 8.380 nan 0.000 0.476 155 I N 2.626 123.176 120.570 -0.032 0.000 2.418 155 I HA 0.661 4.831 4.170 0.000 0.000 0.287 155 I C 0.462 176.564 176.117 -0.025 0.000 1.008 155 I CA -0.467 60.822 61.300 -0.020 0.000 1.104 155 I CB 1.685 39.692 38.000 0.012 0.000 1.264 155 I HN 0.666 nan 8.210 nan 0.000 0.438 156 G N 5.851 114.640 108.800 -0.018 0.000 2.338 156 G HA2 0.496 4.456 3.960 0.000 0.000 0.295 156 G HA3 0.496 4.456 3.960 0.000 0.000 0.295 156 G C -2.169 172.732 174.900 0.001 0.000 1.461 156 G CA -0.514 44.575 45.100 -0.017 0.000 0.817 156 G HN 0.543 nan 8.290 nan 0.000 0.556 157 I N -0.355 120.212 120.570 -0.006 0.000 3.074 157 I HA 0.683 4.853 4.170 0.000 0.000 0.310 157 I C 1.168 177.275 176.117 -0.017 0.000 1.153 157 I CA 0.729 62.029 61.300 -0.000 0.000 0.993 157 I CB 1.979 39.978 38.000 -0.001 0.000 1.237 157 I HN 2.062 nan 8.210 nan 0.000 0.443 158 G N 3.182 111.964 108.800 -0.029 0.000 2.660 158 G HA2 -0.362 3.598 3.960 0.000 0.000 0.321 158 G HA3 -0.362 3.598 3.960 0.000 0.000 0.321 158 G C 0.934 175.788 174.900 -0.075 0.000 1.246 158 G CA 0.597 45.662 45.100 -0.058 0.000 1.000 158 G HN 1.369 nan 8.290 nan 0.000 0.550 159 G N -0.663 108.089 108.800 -0.080 0.000 2.462 159 G HA2 0.076 4.036 3.960 0.000 0.000 0.220 159 G HA3 0.076 4.036 3.960 0.000 0.000 0.220 159 G C 1.756 176.621 174.900 -0.058 0.000 1.121 159 G CA 1.952 47.001 45.100 -0.085 0.000 0.758 159 G HN 1.305 nan 8.290 nan 0.000 0.559 160 S N -0.411 115.272 115.700 -0.028 0.000 2.634 160 S HA 0.185 4.655 4.470 0.000 0.000 0.221 160 S C 1.077 175.670 174.600 -0.011 0.000 0.952 160 S CA 0.684 58.874 58.200 -0.017 0.000 0.930 160 S CB 0.296 63.511 63.200 0.025 0.000 0.780 160 S HN 0.656 nan 8.310 nan 0.000 0.498 161 D N 0.597 120.980 120.400 -0.029 0.000 3.050 161 D HA 0.182 4.822 4.640 0.000 0.000 0.281 161 D C 1.571 177.803 176.300 -0.113 0.000 1.246 161 D CA -0.185 53.805 54.000 -0.017 0.000 1.073 161 D CB -0.487 40.316 40.800 0.006 0.000 1.382 161 D HN 0.143 nan 8.370 nan 0.000 0.433 162 L N 0.716 121.878 121.223 -0.101 0.000 2.012 162 L HA 0.045 4.385 4.340 0.000 0.000 0.210 162 L C 2.448 179.236 176.870 -0.136 0.000 1.073 162 L CA 1.773 56.550 54.840 -0.105 0.000 0.748 162 L CB -0.714 41.314 42.059 -0.052 0.000 0.891 162 L HN 0.314 nan 8.230 nan 0.000 0.431 163 G N 0.394 109.146 108.800 -0.081 0.000 2.480 163 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 163 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 163 G C -0.807 173.828 174.900 -0.442 0.000 1.200 163 G CA 0.767 45.658 45.100 -0.348 0.000 0.782 163 G HN 0.323 nan 8.290 nan 0.000 0.554 164 P HA -0.048 nan 4.420 nan 0.000 0.216 164 P C 2.073 179.041 177.300 -0.553 0.000 1.150 164 P CA 0.507 63.434 63.100 -0.289 0.000 0.837 164 P CB -0.084 31.575 31.700 -0.069 0.000 0.786 165 L N -1.390 119.311 121.223 -0.870 0.000 1.976 165 L HA -0.181 4.159 4.340 0.000 0.000 0.209 165 L C 2.396 178.939 176.870 -0.545 0.000 1.071 165 L CA 1.836 56.032 54.840 -1.074 0.000 0.746 165 L CB -0.665 40.914 42.059 -0.800 0.000 0.890 165 L HN -0.049 nan 8.230 nan 0.000 0.432 166 M N -0.605 118.734 119.600 -0.435 0.000 2.082 166 M HA -0.213 4.267 4.480 0.000 0.000 0.258 166 M C 2.165 178.297 176.300 -0.279 0.000 1.069 166 M CA 2.113 57.205 55.300 -0.346 0.000 1.102 166 M CB -0.589 31.768 32.600 -0.405 0.000 1.336 166 M HN 0.234 nan 8.290 nan 0.000 0.404 167 V N 0.619 120.339 119.914 -0.324 0.000 2.427 167 V HA -0.239 3.881 4.120 0.000 0.000 0.248 167 V C 2.519 178.538 176.094 -0.124 0.000 1.051 167 V CA 2.177 64.338 62.300 -0.232 0.000 1.048 167 V CB -1.335 30.321 31.823 -0.277 0.000 0.666 167 V HN 0.675 nan 8.190 nan 0.000 0.456 168 T N -2.350 112.131 114.554 -0.121 0.000 2.857 168 T HA -0.143 4.207 4.350 0.000 0.000 0.266 168 T C 1.748 176.457 174.700 0.015 0.000 1.048 168 T CA 1.030 63.130 62.100 -0.000 0.000 1.139 168 T CB -0.265 68.599 68.868 -0.007 0.000 0.874 168 T HN 0.365 nan 8.240 nan 0.000 0.455 169 E N 1.942 122.121 120.200 -0.035 0.000 2.058 169 E HA -0.055 4.296 4.350 0.000 0.000 0.194 169 E C 2.610 179.275 176.600 0.108 0.000 0.997 169 E CA 1.487 57.935 56.400 0.080 0.000 0.801 169 E CB -0.687 29.040 29.700 0.044 0.000 0.746 169 E HN 0.667 nan 8.360 nan 0.000 0.450 170 A N 0.565 123.404 122.820 0.031 0.000 1.969 170 A HA -0.055 4.266 4.320 0.000 0.000 0.218 170 A C 2.042 179.573 177.584 -0.088 0.000 1.169 170 A CA 0.788 52.848 52.037 0.038 0.000 0.635 170 A CB -0.242 18.763 19.000 0.008 0.000 0.810 170 A HN 0.175 nan 8.150 nan 0.000 0.445 171 L N -1.101 120.084 121.223 -0.064 0.000 2.818 171 L HA 0.133 4.473 4.340 0.000 0.000 0.243 171 L C 1.707 178.560 176.870 -0.028 0.000 1.185 171 L CA -0.229 54.624 54.840 0.022 0.000 0.988 171 L CB 0.119 42.209 42.059 0.052 0.000 1.292 171 L HN 0.138 nan 8.230 nan 0.000 0.519 172 K N 1.899 122.176 120.400 -0.205 0.000 2.144 172 K HA -0.178 4.142 4.320 0.000 0.000 0.209 172 K C -0.743 175.731 176.600 -0.211 0.000 1.047 172 K CA 1.973 58.176 56.287 -0.139 0.000 0.927 172 K CB -1.074 31.380 32.500 -0.077 0.000 0.716 172 K HN 0.161 nan 8.250 nan 0.000 0.454 173 P HA -0.101 nan 4.420 nan 0.000 0.222 173 P C 0.194 177.193 177.300 -0.501 0.000 1.147 173 P CA 1.095 63.939 63.100 -0.427 0.000 0.790 173 P CB -0.017 31.302 31.700 -0.636 0.000 0.780 174 Y N -0.914 119.286 120.300 -0.166 0.000 2.470 174 Y HA 0.107 4.657 4.550 0.000 0.000 0.284 174 Y C 1.671 177.469 175.900 -0.170 0.000 1.188 174 Y CA 0.180 58.200 58.100 -0.133 0.000 1.269 174 Y CB -0.484 37.913 38.460 -0.105 0.000 1.094 174 Y HN 0.021 nan 8.280 nan 0.000 0.518 175 S N -2.238 113.362 115.700 -0.167 0.000 2.582 175 S HA 0.142 4.612 4.470 0.000 0.000 0.234 175 S C 0.456 174.911 174.600 -0.241 0.000 0.961 175 S CA -0.551 57.440 58.200 -0.349 0.000 0.953 175 S CB -0.079 62.639 63.200 -0.803 0.000 0.800 175 S HN 0.106 nan 8.310 nan 0.000 0.471 176 S N 1.096 116.712 115.700 -0.141 0.000 2.537 176 S HA 0.467 4.937 4.470 0.000 0.000 0.286 176 S C 1.478 176.032 174.600 -0.077 0.000 1.299 176 S CA 0.907 59.051 58.200 -0.093 0.000 1.067 176 S CB -0.070 63.089 63.200 -0.069 0.000 0.864 176 S HN 1.362 nan 8.310 nan 0.000 0.494 177 G N 3.207 111.970 108.800 -0.061 0.000 2.234 177 G HA2 -0.199 3.761 3.960 0.000 0.000 0.260 177 G HA3 -0.199 3.761 3.960 0.000 0.000 0.260 177 G C 0.464 175.334 174.900 -0.050 0.000 0.987 177 G CA 0.083 45.157 45.100 -0.043 0.000 0.625 177 G HN 1.157 nan 8.290 nan 0.000 0.532 178 G N 0.810 109.557 108.800 -0.088 0.000 2.537 178 G HA2 0.664 4.624 3.960 0.000 0.000 0.273 178 G HA3 0.664 4.624 3.960 0.000 0.000 0.273 178 G C -1.431 173.455 174.900 -0.023 0.000 1.189 178 G CA -0.279 44.773 45.100 -0.079 0.000 0.881 178 G HN 0.347 nan 8.290 nan 0.000 0.535 179 P HA 0.243 nan 4.420 nan 0.000 0.276 179 P C -0.226 177.154 177.300 0.133 0.000 1.252 179 P CA -0.530 62.601 63.100 0.051 0.000 0.802 179 P CB 1.254 32.962 31.700 0.013 0.000 1.035 180 R N -0.190 120.365 120.500 0.093 0.000 2.641 180 R HA 0.334 4.674 4.340 0.000 0.000 0.269 180 R C -0.052 176.182 176.300 -0.110 0.000 1.074 180 R CA -0.476 55.632 56.100 0.014 0.000 1.133 180 R CB 0.312 30.588 30.300 -0.040 0.000 1.029 180 R HN 0.342 nan 8.270 nan 0.000 0.488 181 V N -0.686 118.974 119.914 -0.422 0.000 2.628 181 V HA 0.642 4.762 4.120 0.000 0.000 0.306 181 V C -1.056 174.665 176.094 -0.622 0.000 1.045 181 V CA -1.138 60.866 62.300 -0.493 0.000 0.905 181 V CB 1.342 32.793 31.823 -0.621 0.000 0.997 181 V HN 0.681 nan 8.190 nan 0.000 0.436 182 W N 1.836 122.828 121.300 -0.512 0.000 2.936 182 W HA 0.755 5.415 4.660 0.000 0.000 0.338 182 W C -1.446 174.699 176.519 -0.623 0.000 1.121 182 W CA -0.628 56.492 57.345 -0.376 0.000 1.209 182 W CB 1.921 31.204 29.460 -0.295 0.000 1.420 182 W HN 0.558 nan 8.180 nan 0.000 0.516 183 Y N 1.788 122.125 120.300 0.063 0.000 2.332 183 Y HA 0.564 5.114 4.550 0.000 0.000 0.326 183 Y C -0.270 175.525 175.900 -0.176 0.000 0.978 183 Y CA -1.101 56.972 58.100 -0.045 0.000 1.205 183 Y CB 1.446 39.877 38.460 -0.047 0.000 1.131 183 Y HN -0.006 nan 8.280 nan 0.000 0.462 184 V N 3.163 122.975 119.914 -0.171 0.000 2.398 184 V HA 0.412 4.532 4.120 0.000 0.000 0.286 184 V C 0.217 176.167 176.094 -0.240 0.000 1.026 184 V CA 0.201 62.217 62.300 -0.472 0.000 0.868 184 V CB 1.487 33.144 31.823 -0.277 0.000 0.982 184 V HN 0.943 nan 8.190 nan 0.000 0.443 185 S N 2.974 118.557 115.700 -0.194 0.000 3.330 185 S HA 0.143 4.613 4.470 0.000 0.000 0.259 185 S C 0.601 175.297 174.600 0.159 0.000 1.095 185 S CA -0.174 58.067 58.200 0.068 0.000 0.841 185 S CB -0.107 63.175 63.200 0.137 0.000 0.890 185 S HN 0.539 nan 8.310 nan 0.000 0.446 186 N N 1.641 120.571 118.700 0.384 0.000 2.492 186 N HA 0.178 4.918 4.740 0.000 0.000 0.260 186 N C 0.770 176.363 175.510 0.140 0.000 1.215 186 N CA -0.028 53.145 53.050 0.205 0.000 0.923 186 N CB 1.011 39.572 38.487 0.123 0.000 1.092 186 N HN 0.366 nan 8.380 nan 0.000 0.448 187 I N 1.749 122.359 120.570 0.067 0.000 2.614 187 I HA -0.100 4.070 4.170 0.000 0.000 0.258 187 I C 0.315 176.460 176.117 0.047 0.000 1.189 187 I CA 0.608 61.934 61.300 0.043 0.000 1.462 187 I CB -0.626 37.387 38.000 0.021 0.000 1.092 187 I HN 0.541 nan 8.210 nan 0.000 0.442 188 D N 0.609 121.037 120.400 0.047 0.000 2.502 188 D HA -0.017 4.623 4.640 0.000 0.000 0.249 188 D C 1.610 177.944 176.300 0.057 0.000 1.188 188 D CA 0.856 54.877 54.000 0.035 0.000 0.890 188 D CB 0.866 41.672 40.800 0.011 0.000 1.140 188 D HN 0.331 nan 8.370 nan 0.000 0.505 189 G N 3.302 112.126 108.800 0.041 0.000 2.499 189 G HA2 -0.301 3.659 3.960 0.000 0.000 0.221 189 G HA3 -0.301 3.659 3.960 0.000 0.000 0.221 189 G C 1.478 176.408 174.900 0.049 0.000 1.109 189 G CA 1.139 46.263 45.100 0.040 0.000 0.749 189 G HN 0.593 nan 8.290 nan 0.000 0.568 190 T N -0.513 114.070 114.554 0.048 0.000 2.699 190 T HA -0.170 4.180 4.350 0.000 0.000 0.268 190 T C 1.882 176.644 174.700 0.103 0.000 1.036 190 T CA 1.524 63.653 62.100 0.048 0.000 1.147 190 T CB -0.350 68.529 68.868 0.019 0.000 0.862 190 T HN 0.613 nan 8.240 nan 0.000 0.446 191 H N -0.615 118.458 119.070 0.005 0.000 2.270 191 H HA -0.049 4.508 4.556 0.000 0.000 0.299 191 H C 2.360 177.680 175.328 -0.013 0.000 1.077 191 H CA 1.263 57.318 56.048 0.012 0.000 1.294 191 H CB -0.059 29.716 29.762 0.021 0.000 1.371 191 H HN 0.184 nan 8.280 nan 0.000 0.491 192 I N 0.807 121.413 120.570 0.059 0.000 2.315 192 I HA -0.137 4.033 4.170 0.000 0.000 0.248 192 I C 2.394 178.447 176.117 -0.107 0.000 1.117 192 I CA 1.391 62.650 61.300 -0.068 0.000 1.404 192 I CB -0.589 37.374 38.000 -0.062 0.000 1.071 192 I HN 0.302 nan 8.210 nan 0.000 0.419 193 A N 1.255 124.047 122.820 -0.046 0.000 1.902 193 A HA -0.252 4.068 4.320 0.000 0.000 0.217 193 A C 2.340 179.886 177.584 -0.064 0.000 1.181 193 A CA 2.060 54.062 52.037 -0.058 0.000 0.623 193 A CB -0.794 18.200 19.000 -0.010 0.000 0.818 193 A HN 0.624 nan 8.150 nan 0.000 0.443 194 K N -1.226 119.164 120.400 -0.016 0.000 2.288 194 K HA -0.037 4.284 4.320 0.000 0.000 0.201 194 K C 1.571 178.135 176.600 -0.061 0.000 1.048 194 K CA 1.676 57.962 56.287 -0.001 0.000 0.956 194 K CB -0.490 32.044 32.500 0.058 0.000 0.746 194 K HN 0.285 nan 8.250 nan 0.000 0.461 195 T N 2.174 116.651 114.554 -0.129 0.000 2.770 195 T HA 0.050 4.401 4.350 0.000 0.000 0.258 195 T C 1.883 176.276 174.700 -0.511 0.000 1.039 195 T CA 0.927 62.823 62.100 -0.340 0.000 1.143 195 T CB -0.195 68.492 68.868 -0.301 0.000 0.866 195 T HN 0.089 nan 8.240 nan 0.000 0.428 196 L N 1.183 122.118 121.223 -0.481 0.000 2.043 196 L HA -0.161 4.179 4.340 0.000 0.000 0.212 196 L C 3.010 179.675 176.870 -0.341 0.000 1.075 196 L CA 1.295 55.724 54.840 -0.686 0.000 0.752 196 L CB -0.748 40.729 42.059 -0.971 0.000 0.891 196 L HN 0.261 nan 8.230 nan 0.000 0.432 197 A N -0.616 122.095 122.820 -0.182 0.000 2.076 197 A HA -0.231 4.089 4.320 0.000 0.000 0.220 197 A C 2.013 179.579 177.584 -0.030 0.000 1.160 197 A CA 1.506 53.523 52.037 -0.033 0.000 0.653 197 A CB -0.354 18.638 19.000 -0.013 0.000 0.801 197 A HN 0.572 nan 8.150 nan 0.000 0.455 198 Q N -1.051 118.663 119.800 -0.144 0.000 2.247 198 Q HA 0.415 4.755 4.340 0.000 0.000 0.204 198 Q C -0.648 175.271 176.000 -0.134 0.000 0.872 198 Q CA -0.139 55.596 55.803 -0.114 0.000 0.951 198 Q CB 0.416 29.067 28.738 -0.143 0.000 1.099 198 Q HN 0.552 nan 8.270 nan 0.000 0.501 199 L N 0.624 121.782 121.223 -0.109 0.000 2.342 199 L HA 0.446 4.786 4.340 0.000 0.000 0.271 199 L C -0.394 176.637 176.870 0.268 0.000 1.008 199 L CA -1.068 53.763 54.840 -0.015 0.000 0.818 199 L CB 1.525 43.465 42.059 -0.199 0.000 1.296 199 L HN -0.015 nan 8.230 nan 0.000 0.427 200 N N 2.503 121.350 118.700 0.244 0.000 2.425 200 N HA 0.309 5.049 4.740 0.000 0.000 0.268 200 N C -2.133 173.595 175.510 0.364 0.000 0.991 200 N CA -2.085 51.120 53.050 0.259 0.000 0.931 200 N CB 2.065 40.647 38.487 0.158 0.000 1.130 200 N HN 0.204 nan 8.380 nan 0.000 0.493 201 P HA -0.003 nan 4.420 nan 0.000 0.223 201 P C 0.486 178.088 177.300 0.503 0.000 1.151 201 P CA 0.986 64.346 63.100 0.433 0.000 0.787 201 P CB 0.470 32.131 31.700 -0.065 0.000 0.788 202 E N -0.196 120.187 120.200 0.305 0.000 2.204 202 E HA -0.091 4.259 4.350 0.000 0.000 0.195 202 E C 1.139 177.936 176.600 0.328 0.000 0.990 202 E CA 1.497 57.990 56.400 0.155 0.000 0.821 202 E CB -0.195 29.454 29.700 -0.085 0.000 0.750 202 E HN 0.339 nan 8.360 nan 0.000 0.477 203 S N -0.824 115.056 115.700 0.301 0.000 2.663 203 S HA 0.242 4.713 4.470 0.000 0.000 0.243 203 S C 0.131 174.867 174.600 0.226 0.000 1.009 203 S CA -0.682 57.660 58.200 0.237 0.000 0.988 203 S CB 0.913 64.198 63.200 0.142 0.000 0.896 203 S HN -0.143 nan 8.310 nan 0.000 0.502 204 S N 2.132 118.033 115.700 0.335 0.000 2.454 204 S HA 0.669 5.139 4.470 0.000 0.000 0.306 204 S C -0.987 173.693 174.600 0.134 0.000 1.100 204 S CA -0.656 57.629 58.200 0.142 0.000 1.087 204 S CB 1.633 64.875 63.200 0.071 0.000 1.019 204 S HN 0.462 nan 8.310 nan 0.000 0.480 205 L N 3.788 124.930 121.223 -0.135 0.000 2.296 205 L HA 0.673 5.013 4.340 0.000 0.000 0.286 205 L C -1.594 175.015 176.870 -0.435 0.000 1.023 205 L CA -0.281 54.460 54.840 -0.166 0.000 0.812 205 L CB 0.178 42.156 42.059 -0.134 0.000 1.223 205 L HN 0.514 nan 8.230 nan 0.000 0.421 206 F N 5.430 125.137 119.950 -0.406 0.000 2.422 206 F HA 0.580 5.107 4.527 0.000 0.000 0.333 206 F C 0.114 175.760 175.800 -0.256 0.000 1.095 206 F CA -0.367 57.352 58.000 -0.468 0.000 1.038 206 F CB 1.446 39.858 39.000 -0.980 0.000 1.156 206 F HN 0.244 nan 8.300 nan 0.000 0.483 207 I N 4.991 125.562 120.570 0.003 0.000 2.439 207 I HA 0.277 4.447 4.170 0.000 0.000 0.283 207 I C -1.054 175.103 176.117 0.067 0.000 1.023 207 I CA -0.672 60.637 61.300 0.015 0.000 1.100 207 I CB 1.386 39.333 38.000 -0.088 0.000 1.238 207 I HN 0.266 nan 8.210 nan 0.000 0.445 208 I N 5.666 126.321 120.570 0.142 0.000 2.291 208 I HA 0.362 4.532 4.170 0.000 0.000 0.292 208 I C 0.670 176.876 176.117 0.148 0.000 1.064 208 I CA -0.455 60.907 61.300 0.104 0.000 1.269 208 I CB 0.815 38.862 38.000 0.079 0.000 1.418 208 I HN 0.514 nan 8.210 nan 0.000 0.485 209 A N 4.908 127.767 122.820 0.065 0.000 2.253 209 A HA 0.652 4.972 4.320 0.000 0.000 0.316 209 A C 0.142 177.783 177.584 0.096 0.000 1.327 209 A CA -0.356 51.737 52.037 0.094 0.000 0.917 209 A CB 0.676 19.698 19.000 0.036 0.000 1.162 209 A HN 0.643 nan 8.150 nan 0.000 0.535 210 S N 2.176 117.999 115.700 0.205 0.000 2.599 210 S HA 0.223 4.693 4.470 0.000 0.000 0.269 210 S C 0.624 175.357 174.600 0.220 0.000 1.135 210 S CA -0.469 57.827 58.200 0.159 0.000 1.027 210 S CB 0.854 64.055 63.200 0.001 0.000 1.129 210 S HN 0.814 nan 8.310 nan 0.000 0.458 211 K N 2.257 122.789 120.400 0.220 0.000 2.034 211 K HA -0.159 4.161 4.320 0.000 0.000 0.214 211 K C 1.726 178.270 176.600 -0.093 0.000 1.051 211 K CA 2.668 58.970 56.287 0.024 0.000 0.931 211 K CB -0.433 32.135 32.500 0.113 0.000 0.715 211 K HN 0.763 nan 8.250 nan 0.000 0.446 212 T N -2.947 111.609 114.554 0.002 0.000 3.054 212 T HA -0.008 4.342 4.350 0.000 0.000 0.259 212 T C 0.967 175.735 174.700 0.114 0.000 1.092 212 T CA 0.425 62.531 62.100 0.011 0.000 1.121 212 T CB -0.318 68.555 68.868 0.008 0.000 0.912 212 T HN 0.382 nan 8.240 nan 0.000 0.489 213 F N 2.241 122.141 119.950 -0.083 0.000 3.084 213 F HA -0.301 4.226 4.527 0.000 0.000 0.286 213 F C 1.009 176.772 175.800 -0.061 0.000 0.855 213 F CA 1.123 59.072 58.000 -0.085 0.000 1.091 213 F CB -1.545 37.398 39.000 -0.095 0.000 1.177 213 F HN 0.517 nan 8.300 nan 0.000 0.542 214 T N -4.487 110.055 114.554 -0.020 0.000 3.087 214 T HA 0.193 4.543 4.350 0.000 0.000 0.283 214 T C 0.481 175.144 174.700 -0.061 0.000 0.956 214 T CA 0.472 62.551 62.100 -0.035 0.000 0.894 214 T CB 0.128 69.006 68.868 0.018 0.000 1.160 214 T HN 0.094 nan 8.240 nan 0.000 0.532 215 T N 3.019 117.522 114.554 -0.085 0.000 2.867 215 T HA 0.090 4.440 4.350 0.000 0.000 0.297 215 T C 1.291 175.944 174.700 -0.078 0.000 0.989 215 T CA -0.007 62.054 62.100 -0.066 0.000 1.159 215 T CB 1.419 70.249 68.868 -0.063 0.000 0.928 215 T HN 0.391 nan 8.240 nan 0.000 0.538 216 Q N 2.489 122.263 119.800 -0.044 0.000 2.045 216 Q HA -0.234 4.106 4.340 0.000 0.000 0.206 216 Q C 1.803 177.777 176.000 -0.042 0.000 0.991 216 Q CA 2.021 57.803 55.803 -0.036 0.000 0.851 216 Q CB 0.022 28.753 28.738 -0.013 0.000 0.911 216 Q HN 0.725 nan 8.270 nan 0.000 0.418 217 E N -0.683 119.496 120.200 -0.035 0.000 2.085 217 E HA -0.159 4.191 4.350 0.000 0.000 0.194 217 E C 1.964 178.533 176.600 -0.052 0.000 0.994 217 E CA 1.896 58.280 56.400 -0.027 0.000 0.801 217 E CB -0.145 29.548 29.700 -0.011 0.000 0.743 217 E HN 0.325 nan 8.360 nan 0.000 0.453 218 T N 0.638 115.138 114.554 -0.090 0.000 2.851 218 T HA -0.028 4.322 4.350 0.000 0.000 0.262 218 T C 1.677 176.245 174.700 -0.220 0.000 1.043 218 T CA 0.546 62.558 62.100 -0.146 0.000 1.140 218 T CB -0.003 68.759 68.868 -0.176 0.000 0.872 218 T HN 0.022 nan 8.240 nan 0.000 0.446 219 I N 1.954 122.384 120.570 -0.235 0.000 2.202 219 I HA -0.111 4.059 4.170 0.000 0.000 0.242 219 I C 2.633 178.701 176.117 -0.082 0.000 1.091 219 I CA 1.454 62.601 61.300 -0.255 0.000 1.368 219 I CB -1.795 36.090 38.000 -0.192 0.000 1.058 219 I HN 0.255 nan 8.210 nan 0.000 0.410 220 T N 1.567 116.095 114.554 -0.042 0.000 2.635 220 T HA -0.187 4.163 4.350 0.000 0.000 0.267 220 T C 1.783 176.489 174.700 0.011 0.000 1.040 220 T CA 1.627 63.728 62.100 0.003 0.000 1.156 220 T CB -0.371 68.497 68.868 -0.001 0.000 0.863 220 T HN 0.256 nan 8.240 nan 0.000 0.430 221 N N 1.316 120.007 118.700 -0.014 0.000 2.137 221 N HA -0.075 4.665 4.740 0.000 0.000 0.190 221 N C 2.103 177.620 175.510 0.012 0.000 1.017 221 N CA 1.419 54.465 53.050 -0.008 0.000 0.859 221 N CB -0.548 37.923 38.487 -0.026 0.000 1.002 221 N HN 0.469 nan 8.380 nan 0.000 0.428 222 A N 1.271 124.087 122.820 -0.007 0.000 1.877 222 A HA -0.142 4.178 4.320 0.000 0.000 0.216 222 A C 2.118 179.876 177.584 0.290 0.000 1.186 222 A CA 1.385 53.461 52.037 0.066 0.000 0.620 222 A CB -0.532 18.293 19.000 -0.293 0.000 0.822 222 A HN 0.342 nan 8.150 nan 0.000 0.443 223 E N -0.894 119.461 120.200 0.257 0.000 2.085 223 E HA -0.148 4.202 4.350 0.000 0.000 0.194 223 E C 2.082 178.741 176.600 0.099 0.000 0.994 223 E CA 1.670 58.181 56.400 0.185 0.000 0.801 223 E CB -0.320 29.451 29.700 0.118 0.000 0.743 223 E HN 0.591 nan 8.360 nan 0.000 0.453 224 T N 0.647 115.248 114.554 0.078 0.000 2.746 224 T HA -0.140 4.210 4.350 0.000 0.000 0.267 224 T C 1.934 176.687 174.700 0.089 0.000 1.039 224 T CA 1.201 63.341 62.100 0.066 0.000 1.142 224 T CB -0.166 68.723 68.868 0.035 0.000 0.866 224 T HN 0.251 nan 8.240 nan 0.000 0.444 225 A N 1.381 124.230 122.820 0.048 0.000 1.898 225 A HA -0.044 4.276 4.320 0.000 0.000 0.216 225 A C 2.202 179.897 177.584 0.185 0.000 1.181 225 A CA 1.824 53.844 52.037 -0.028 0.000 0.620 225 A CB -0.460 18.311 19.000 -0.380 0.000 0.819 225 A HN 0.477 nan 8.150 nan 0.000 0.442 226 K N -0.065 120.423 120.400 0.146 0.000 2.025 226 K HA -0.199 4.121 4.320 0.000 0.000 0.207 226 K C 2.065 178.713 176.600 0.080 0.000 1.049 226 K CA 1.656 57.932 56.287 -0.019 0.000 0.933 226 K CB -0.211 32.090 32.500 -0.332 0.000 0.714 226 K HN 0.592 nan 8.250 nan 0.000 0.438 227 E N -0.327 119.912 120.200 0.066 0.000 2.070 227 E HA -0.260 4.090 4.350 0.000 0.000 0.197 227 E C 1.802 178.477 176.600 0.126 0.000 1.004 227 E CA 1.722 58.156 56.400 0.057 0.000 0.805 227 E CB -0.334 29.397 29.700 0.051 0.000 0.744 227 E HN 0.547 nan 8.360 nan 0.000 0.451 228 W N 0.328 121.637 121.300 0.016 0.000 2.338 228 W HA -0.257 4.403 4.660 0.000 0.000 0.304 228 W C 1.945 178.507 176.519 0.071 0.000 1.212 228 W CA 1.853 59.220 57.345 0.036 0.000 1.264 228 W CB -0.565 28.928 29.460 0.055 0.000 1.142 228 W HN 0.206 nan 8.180 nan 0.000 0.512 229 F N 0.744 120.797 119.950 0.171 0.000 2.134 229 F HA -0.174 4.353 4.527 0.000 0.000 0.299 229 F C 2.082 177.735 175.800 -0.244 0.000 1.097 229 F CA 2.034 59.997 58.000 -0.061 0.000 1.264 229 F CB -0.817 38.343 39.000 0.268 0.000 1.001 229 F HN -0.161 nan 8.300 nan 0.000 0.479 230 L N -0.178 120.926 121.223 -0.197 0.000 2.131 230 L HA -0.235 4.105 4.340 0.000 0.000 0.210 230 L C 2.433 179.077 176.870 -0.376 0.000 1.092 230 L CA 1.274 55.911 54.840 -0.339 0.000 0.759 230 L CB -0.707 41.254 42.059 -0.164 0.000 0.903 230 L HN 0.248 nan 8.230 nan 0.000 0.435 231 Q N -0.681 118.929 119.800 -0.317 0.000 2.170 231 Q HA -0.182 4.158 4.340 0.000 0.000 0.203 231 Q C 2.254 178.050 176.000 -0.339 0.000 0.976 231 Q CA 1.614 57.251 55.803 -0.276 0.000 0.858 231 Q CB -0.070 28.537 28.738 -0.220 0.000 0.907 231 Q HN 0.579 nan 8.270 nan 0.000 0.433 232 A N -0.112 122.412 122.820 -0.494 0.000 1.924 232 A HA 0.218 4.538 4.320 0.000 0.000 0.211 232 A C 2.015 179.330 177.584 -0.449 0.000 1.198 232 A CA 0.914 52.691 52.037 -0.434 0.000 0.657 232 A CB -0.188 18.527 19.000 -0.476 0.000 0.852 232 A HN 0.324 nan 8.150 nan 0.000 0.454 233 A N -0.627 121.694 122.820 -0.833 0.000 2.030 233 A HA 0.228 4.548 4.320 0.000 0.000 0.215 233 A C 0.970 178.225 177.584 -0.549 0.000 1.164 233 A CA 0.701 52.117 52.037 -1.035 0.000 0.697 233 A CB -0.314 17.460 19.000 -2.042 0.000 0.827 233 A HN 0.399 nan 8.150 nan 0.000 0.457 234 K N 0.325 120.458 120.400 -0.444 0.000 3.311 234 K HA -0.205 4.115 4.320 0.000 0.000 0.270 234 K C -0.958 175.515 176.600 -0.211 0.000 0.927 234 K CA 1.026 57.154 56.287 -0.265 0.000 0.706 234 K CB -1.420 30.969 32.500 -0.185 0.000 1.418 234 K HN 0.582 nan 8.250 nan 0.000 0.459 235 D N -1.230 119.032 120.400 -0.231 0.000 2.296 235 D HA 0.182 4.822 4.640 0.000 0.000 0.224 235 D C -2.219 174.026 176.300 -0.092 0.000 1.324 235 D CA -1.563 52.354 54.000 -0.138 0.000 0.940 235 D CB 1.380 42.108 40.800 -0.119 0.000 1.492 235 D HN -0.228 nan 8.370 nan 0.000 0.531 236 P HA -0.162 nan 4.420 nan 0.000 0.218 236 P C 1.278 178.589 177.300 0.018 0.000 1.146 236 P CA 1.288 64.367 63.100 -0.035 0.000 0.820 236 P CB 0.262 31.933 31.700 -0.048 0.000 0.778 237 S N -1.372 114.345 115.700 0.027 0.000 2.561 237 S HA 0.082 4.553 4.470 0.000 0.000 0.225 237 S C 1.818 176.498 174.600 0.133 0.000 0.977 237 S CA 0.617 58.854 58.200 0.062 0.000 0.926 237 S CB -0.807 62.418 63.200 0.042 0.000 0.769 237 S HN 0.098 nan 8.310 nan 0.000 0.533 238 A N 0.940 123.864 122.820 0.173 0.000 2.123 238 A HA 0.296 4.616 4.320 0.000 0.000 0.214 238 A C 2.138 180.035 177.584 0.522 0.000 1.152 238 A CA 0.764 53.006 52.037 0.341 0.000 0.728 238 A CB -0.647 18.466 19.000 0.187 0.000 0.814 238 A HN 0.433 nan 8.150 nan 0.000 0.464 239 V N 0.066 120.212 119.914 0.387 0.000 2.343 239 V HA -0.289 3.831 4.120 0.000 0.000 0.247 239 V C 3.016 179.313 176.094 0.340 0.000 1.051 239 V CA 1.880 64.354 62.300 0.291 0.000 1.036 239 V CB -1.057 30.802 31.823 0.060 0.000 0.654 239 V HN 0.597 nan 8.190 nan 0.000 0.451 240 A N -0.515 122.468 122.820 0.271 0.000 2.076 240 A HA -0.235 4.085 4.320 0.000 0.000 0.220 240 A C 2.128 179.943 177.584 0.384 0.000 1.160 240 A CA 1.775 53.978 52.037 0.277 0.000 0.653 240 A CB -0.364 18.742 19.000 0.177 0.000 0.801 240 A HN 0.609 nan 8.150 nan 0.000 0.455 241 K N -1.666 118.977 120.400 0.404 0.000 2.374 241 K HA 0.137 4.457 4.320 0.000 0.000 0.196 241 K C 0.280 177.090 176.600 0.350 0.000 1.023 241 K CA 0.290 56.803 56.287 0.376 0.000 1.103 241 K CB 0.206 32.832 32.500 0.210 0.000 0.848 241 K HN 0.613 nan 8.250 nan 0.000 0.528 242 H N -1.390 117.923 119.070 0.406 0.000 3.480 242 H HA 0.192 4.748 4.556 0.000 0.000 0.257 242 H C -0.929 174.431 175.328 0.052 0.000 1.196 242 H CA -0.059 56.102 56.048 0.188 0.000 1.100 242 H CB 0.690 30.321 29.762 -0.219 0.000 1.683 242 H HN -0.047 nan 8.280 nan 0.000 0.702 243 F N 1.779 121.890 119.950 0.268 0.000 2.585 243 F HA 0.328 4.855 4.527 0.000 0.000 0.319 243 F C 0.033 175.967 175.800 0.225 0.000 1.165 243 F CA -1.071 57.079 58.000 0.250 0.000 0.949 243 F CB 1.905 41.036 39.000 0.218 0.000 1.218 243 F HN -0.208 nan 8.300 nan 0.000 0.453 244 V N 0.332 120.427 119.914 0.303 0.000 3.158 244 V HA 1.039 5.159 4.120 0.000 0.000 0.315 244 V C -0.813 175.411 176.094 0.216 0.000 1.148 244 V CA -1.079 61.346 62.300 0.209 0.000 1.042 244 V CB 1.611 33.485 31.823 0.084 0.000 1.101 244 V HN 0.902 nan 8.190 nan 0.000 0.448 245 A N 1.764 124.691 122.820 0.177 0.000 2.435 245 A HA 0.898 5.218 4.320 0.000 0.000 0.304 245 A C -1.052 176.629 177.584 0.162 0.000 1.064 245 A CA -0.766 51.363 52.037 0.154 0.000 0.727 245 A CB 1.619 20.594 19.000 -0.042 0.000 1.284 245 A HN 1.028 nan 8.150 nan 0.000 0.415 246 L N 1.972 123.302 121.223 0.178 0.000 2.345 246 L HA 0.717 5.057 4.340 0.000 0.000 0.274 246 L C 0.003 177.056 176.870 0.305 0.000 0.999 246 L CA -0.269 54.704 54.840 0.222 0.000 0.849 246 L CB 1.137 43.282 42.059 0.142 0.000 1.220 246 L HN 0.726 nan 8.230 nan 0.000 0.422 247 S N 0.544 116.310 115.700 0.109 0.000 2.636 247 S HA 0.413 4.883 4.470 0.000 0.000 0.268 247 S C 0.195 174.398 174.600 -0.662 0.000 1.159 247 S CA 0.198 58.262 58.200 -0.228 0.000 0.815 247 S CB 1.955 65.053 63.200 -0.171 0.000 1.130 247 S HN 0.657 nan 8.310 nan 0.000 0.471 248 T N -0.085 114.011 114.554 -0.765 0.000 3.129 248 T HA 0.373 4.723 4.350 0.000 0.000 0.267 248 T C -0.057 174.421 174.700 -0.369 0.000 1.018 248 T CA -0.246 61.453 62.100 -0.668 0.000 0.903 248 T CB -0.416 68.027 68.868 -0.709 0.000 1.067 248 T HN 0.373 nan 8.240 nan 0.000 0.549 249 N N 1.086 119.608 118.700 -0.298 0.000 2.746 249 N HA 0.218 4.958 4.740 0.000 0.000 0.250 249 N C 0.736 176.115 175.510 -0.218 0.000 1.146 249 N CA -0.125 52.808 53.050 -0.195 0.000 0.828 249 N CB 1.515 39.938 38.487 -0.107 0.000 1.158 249 N HN 0.145 nan 8.380 nan 0.000 0.519 250 T N 0.184 114.625 114.554 -0.188 0.000 2.720 250 T HA -0.137 4.213 4.350 0.000 0.000 0.268 250 T C 1.638 176.255 174.700 -0.138 0.000 1.037 250 T CA 1.800 63.795 62.100 -0.174 0.000 1.144 250 T CB -0.075 68.720 68.868 -0.121 0.000 0.864 250 T HN 0.403 nan 8.240 nan 0.000 0.444 251 T N 1.922 116.422 114.554 -0.090 0.000 2.595 251 T HA -0.122 4.228 4.350 0.000 0.000 0.264 251 T C 2.076 176.760 174.700 -0.027 0.000 1.058 251 T CA 1.473 63.545 62.100 -0.046 0.000 1.166 251 T CB -0.305 68.550 68.868 -0.022 0.000 0.863 251 T HN 0.277 nan 8.240 nan 0.000 0.415 252 K N 0.571 120.966 120.400 -0.007 0.000 2.209 252 K HA 0.018 4.338 4.320 0.000 0.000 0.204 252 K C 2.103 178.746 176.600 0.073 0.000 1.048 252 K CA 0.407 56.751 56.287 0.096 0.000 0.940 252 K CB -0.544 32.070 32.500 0.190 0.000 0.729 252 K HN 0.145 nan 8.250 nan 0.000 0.451 253 V N 1.070 120.827 119.914 -0.261 0.000 2.358 253 V HA -0.246 3.874 4.120 0.000 0.000 0.246 253 V C 1.919 177.970 176.094 -0.072 0.000 1.047 253 V CA 1.623 63.649 62.300 -0.457 0.000 1.035 253 V CB -0.282 31.154 31.823 -0.644 0.000 0.658 253 V HN 0.291 nan 8.190 nan 0.000 0.452 254 K N -0.080 120.285 120.400 -0.059 0.000 2.057 254 K HA -0.199 4.121 4.320 0.000 0.000 0.207 254 K C 2.143 178.764 176.600 0.035 0.000 1.049 254 K CA 1.705 57.985 56.287 -0.011 0.000 0.931 254 K CB -0.211 32.273 32.500 -0.026 0.000 0.714 254 K HN 0.550 nan 8.250 nan 0.000 0.440 255 E N 0.148 120.385 120.200 0.061 0.000 2.110 255 E HA -0.198 4.152 4.350 0.000 0.000 0.193 255 E C 1.791 178.463 176.600 0.119 0.000 0.988 255 E CA 1.003 57.451 56.400 0.079 0.000 0.804 255 E CB -0.175 29.581 29.700 0.093 0.000 0.745 255 E HN 0.251 nan 8.360 nan 0.000 0.458 256 F N 0.116 120.117 119.950 0.086 0.000 2.269 256 F HA -0.084 4.443 4.527 0.000 0.000 0.301 256 F C 1.430 177.245 175.800 0.025 0.000 1.082 256 F CA 1.580 59.647 58.000 0.112 0.000 1.360 256 F CB 0.336 39.537 39.000 0.334 0.000 1.041 256 F HN 0.099 nan 8.300 nan 0.000 0.512 257 G N 0.608 109.407 108.800 -0.001 0.000 2.164 257 G HA2 -0.172 3.789 3.960 0.000 0.000 0.154 257 G HA3 -0.172 3.789 3.960 0.000 0.000 0.154 257 G C -0.013 174.895 174.900 0.013 0.000 1.014 257 G CA -0.093 44.948 45.100 -0.098 0.000 0.683 257 G HN 0.283 nan 8.290 nan 0.000 0.500 258 I N 1.740 122.394 120.570 0.141 0.000 2.331 258 I HA 0.269 4.439 4.170 0.000 0.000 0.292 258 I C 0.309 176.466 176.117 0.067 0.000 0.998 258 I CA -0.777 60.615 61.300 0.153 0.000 1.267 258 I CB 1.177 39.313 38.000 0.227 0.000 1.386 258 I HN 0.056 nan 8.210 nan 0.000 0.476 259 D N 9.568 130.012 120.400 0.073 0.000 2.533 259 D HA -0.019 4.621 4.640 0.000 0.000 0.236 259 D C -1.322 174.972 176.300 -0.009 0.000 1.137 259 D CA -1.572 52.451 54.000 0.038 0.000 0.867 259 D CB 1.154 41.996 40.800 0.070 0.000 1.170 259 D HN 0.269 nan 8.370 nan 0.000 0.474 260 P HA -0.191 nan 4.420 nan 0.000 0.219 260 P C 0.922 178.159 177.300 -0.105 0.000 1.146 260 P CA 1.234 64.289 63.100 -0.076 0.000 0.808 260 P CB 0.275 31.940 31.700 -0.059 0.000 0.779 261 Q N -0.923 118.833 119.800 -0.072 0.000 2.369 261 Q HA -0.036 4.305 4.340 0.000 0.000 0.206 261 Q C 0.978 176.871 176.000 -0.178 0.000 0.963 261 Q CA 0.641 56.386 55.803 -0.097 0.000 0.894 261 Q CB -0.333 28.395 28.738 -0.017 0.000 0.965 261 Q HN 0.265 nan 8.270 nan 0.000 0.475 262 N N 0.011 118.636 118.700 -0.125 0.000 2.251 262 N HA 0.103 4.843 4.740 0.000 0.000 0.217 262 N C -0.558 174.819 175.510 -0.221 0.000 1.124 262 N CA 0.134 53.102 53.050 -0.137 0.000 0.843 262 N CB 0.440 38.981 38.487 0.090 0.000 1.024 262 N HN 0.245 nan 8.380 nan 0.000 0.501 263 M N 0.712 120.119 119.600 -0.322 0.000 2.149 263 M HA 0.388 4.868 4.480 0.000 0.000 0.342 263 M C -1.411 174.630 176.300 -0.431 0.000 1.068 263 M CA -0.553 54.589 55.300 -0.263 0.000 0.991 263 M CB 0.462 32.933 32.600 -0.215 0.000 1.596 263 M HN -0.214 nan 8.290 nan 0.000 0.439 264 F N 3.463 123.324 119.950 -0.148 0.000 2.404 264 F HA 0.439 4.966 4.527 0.000 0.000 0.354 264 F C 0.295 176.033 175.800 -0.103 0.000 1.122 264 F CA -0.448 57.481 58.000 -0.118 0.000 1.080 264 F CB 0.954 39.875 39.000 -0.131 0.000 1.131 264 F HN 0.567 nan 8.300 nan 0.000 0.471 265 E N 3.276 123.459 120.200 -0.028 0.000 2.250 265 E HA 0.636 4.986 4.350 0.000 0.000 0.269 265 E C -0.863 175.477 176.600 -0.433 0.000 1.018 265 E CA -0.650 55.605 56.400 -0.241 0.000 0.873 265 E CB 1.835 31.352 29.700 -0.305 0.000 1.134 265 E HN 0.535 nan 8.360 nan 0.000 0.403 266 F N -2.007 117.342 119.950 -1.001 0.000 2.980 266 F HA 0.672 5.199 4.527 0.000 0.000 0.335 266 F C -0.955 173.758 175.800 -1.812 0.000 1.210 266 F CA -1.107 55.883 58.000 -1.684 0.000 0.986 266 F CB 1.204 39.758 39.000 -0.743 0.000 1.469 266 F HN 0.319 nan 8.300 nan 0.000 0.519 267 W N 0.625 121.697 121.300 -0.379 0.000 2.967 267 W HA 0.252 4.912 4.660 0.000 0.000 0.342 267 W C 0.003 176.182 176.519 -0.567 0.000 1.162 267 W CA -0.179 56.734 57.345 -0.719 0.000 1.085 267 W CB 1.124 29.700 29.460 -1.473 0.000 1.460 267 W HN 0.737 nan 8.180 nan 0.000 0.584 268 D N -1.319 118.925 120.400 -0.261 0.000 2.269 268 D HA -0.159 4.481 4.640 0.000 0.000 0.208 268 D C 1.553 177.893 176.300 0.067 0.000 0.963 268 D CA 0.971 54.922 54.000 -0.080 0.000 0.864 268 D CB -0.392 40.403 40.800 -0.008 0.000 0.936 268 D HN 0.445 nan 8.370 nan 0.000 0.505 269 W N 0.812 122.249 121.300 0.228 0.000 3.077 269 W HA 0.275 4.935 4.660 0.000 0.000 0.245 269 W C -0.567 176.072 176.519 0.200 0.000 1.316 269 W CA -0.534 56.903 57.345 0.154 0.000 1.537 269 W CB -0.483 29.023 29.460 0.077 0.000 1.131 269 W HN -0.198 nan 8.180 nan 0.000 0.695 270 V N 2.623 122.774 119.914 0.395 0.000 2.348 270 V HA 0.436 4.556 4.120 0.000 0.000 0.270 270 V C 1.023 177.352 176.094 0.392 0.000 1.037 270 V CA -0.558 62.015 62.300 0.456 0.000 0.872 270 V CB 0.339 32.428 31.823 0.444 0.000 1.002 270 V HN 0.114 nan 8.190 nan 0.000 0.464 271 G N 3.354 112.421 108.800 0.445 0.000 2.483 271 G HA2 0.400 4.360 3.960 0.000 0.000 0.248 271 G HA3 0.400 4.360 3.960 0.000 0.000 0.248 271 G C 1.103 176.201 174.900 0.330 0.000 1.248 271 G CA 0.178 45.535 45.100 0.429 0.000 0.838 271 G HN 0.878 nan 8.290 nan 0.000 0.566 272 G N 1.389 110.309 108.800 0.201 0.000 2.459 272 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 272 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 272 G C 1.636 176.531 174.900 -0.009 0.000 1.183 272 G CA 0.865 46.022 45.100 0.094 0.000 0.776 272 G HN 0.779 nan 8.290 nan 0.000 0.552 273 R N -0.786 119.651 120.500 -0.105 0.000 2.346 273 R HA 0.143 4.483 4.340 0.000 0.000 0.199 273 R C 0.242 176.206 176.300 -0.559 0.000 1.015 273 R CA 0.514 56.380 56.100 -0.389 0.000 1.058 273 R CB -0.347 29.637 30.300 -0.527 0.000 0.921 273 R HN 0.480 nan 8.270 nan 0.000 0.475 274 Y N 0.179 120.508 120.300 0.049 0.000 2.721 274 Y HA 0.178 4.729 4.550 0.000 0.000 0.251 274 Y C 1.348 177.400 175.900 0.253 0.000 1.136 274 Y CA -0.318 57.856 58.100 0.123 0.000 1.142 274 Y CB 1.264 39.697 38.460 -0.045 0.000 1.212 274 Y HN 0.216 nan 8.280 nan 0.000 0.565 275 S N -0.591 115.205 115.700 0.159 0.000 2.502 275 S HA -0.045 4.426 4.470 0.000 0.000 0.215 275 S C 1.734 176.262 174.600 -0.120 0.000 1.009 275 S CA 0.223 58.447 58.200 0.039 0.000 0.908 275 S CB -0.479 62.644 63.200 -0.129 0.000 0.801 275 S HN 0.443 nan 8.310 nan 0.000 0.505 276 L N -0.890 120.156 121.223 -0.294 0.000 2.263 276 L HA 0.177 4.517 4.340 0.000 0.000 0.216 276 L C 1.869 178.570 176.870 -0.283 0.000 1.111 276 L CA 1.199 55.799 54.840 -0.399 0.000 0.773 276 L CB -1.619 40.059 42.059 -0.635 0.000 0.906 276 L HN 0.383 nan 8.230 nan 0.000 0.439 277 W N 0.825 122.159 121.300 0.057 0.000 2.699 277 W HA 0.139 4.799 4.660 0.000 0.000 0.249 277 W C 1.968 178.597 176.519 0.184 0.000 1.280 277 W CA 0.453 57.838 57.345 0.068 0.000 1.345 277 W CB -0.672 28.825 29.460 0.062 0.000 1.128 277 W HN 0.432 nan 8.180 nan 0.000 0.642 278 S N 0.183 116.049 115.700 0.277 0.000 2.505 278 S HA 0.652 5.122 4.470 0.000 0.000 0.273 278 S C 1.639 176.278 174.600 0.066 0.000 1.123 278 S CA -0.042 58.269 58.200 0.184 0.000 1.006 278 S CB 0.375 63.541 63.200 -0.056 0.000 1.243 278 S HN -0.004 nan 8.310 nan 0.000 0.498 279 A N 0.369 123.148 122.820 -0.069 0.000 1.978 279 A HA 0.028 4.348 4.320 0.000 0.000 0.220 279 A C 2.107 179.560 177.584 -0.219 0.000 1.170 279 A CA 1.253 53.238 52.037 -0.088 0.000 0.636 279 A CB -1.169 17.863 19.000 0.053 0.000 0.810 279 A HN 0.705 nan 8.150 nan 0.000 0.448 280 I N 0.152 120.490 120.570 -0.386 0.000 2.502 280 I HA -0.222 3.948 4.170 0.000 0.000 0.258 280 I C 2.225 178.223 176.117 -0.199 0.000 1.172 280 I CA 1.493 62.609 61.300 -0.306 0.000 1.430 280 I CB -1.665 36.099 38.000 -0.392 0.000 1.086 280 I HN 0.374 nan 8.210 nan 0.000 0.440 281 G N -0.033 108.667 108.800 -0.166 0.000 3.181 281 G HA2 0.019 3.979 3.960 0.000 0.000 0.219 281 G HA3 0.019 3.979 3.960 0.000 0.000 0.219 281 G C 1.507 176.171 174.900 -0.394 0.000 1.182 281 G CA -0.213 44.793 45.100 -0.156 0.000 0.791 281 G HN 0.238 nan 8.290 nan 0.000 0.537 282 L N 2.069 123.067 121.223 -0.375 0.000 2.042 282 L HA -0.146 4.194 4.340 0.000 0.000 0.210 282 L C 3.044 179.731 176.870 -0.304 0.000 1.076 282 L CA 2.567 57.150 54.840 -0.427 0.000 0.749 282 L CB -0.632 41.123 42.059 -0.507 0.000 0.893 282 L HN 0.324 nan 8.230 nan 0.000 0.432 283 S N -1.137 114.438 115.700 -0.207 0.000 2.399 283 S HA -0.186 4.284 4.470 0.000 0.000 0.231 283 S C 2.045 176.604 174.600 -0.070 0.000 1.022 283 S CA 1.447 59.567 58.200 -0.133 0.000 0.983 283 S CB -0.980 62.154 63.200 -0.110 0.000 0.803 283 S HN 0.517 nan 8.310 nan 0.000 0.480 284 I N 2.453 122.966 120.570 -0.096 0.000 2.142 284 I HA -0.146 4.024 4.170 0.000 0.000 0.240 284 I C 3.124 179.203 176.117 -0.063 0.000 1.078 284 I CA 1.262 62.544 61.300 -0.030 0.000 1.343 284 I CB -0.770 37.246 38.000 0.027 0.000 1.046 284 I HN 0.414 nan 8.210 nan 0.000 0.405 285 A N 0.829 123.478 122.820 -0.286 0.000 1.940 285 A HA -0.164 4.157 4.320 0.000 0.000 0.219 285 A C 2.324 179.865 177.584 -0.072 0.000 1.176 285 A CA 1.471 53.361 52.037 -0.245 0.000 0.631 285 A CB -0.891 17.837 19.000 -0.454 0.000 0.814 285 A HN 0.382 nan 8.150 nan 0.000 0.446 286 L N -1.758 119.415 121.223 -0.085 0.000 2.017 286 L HA -0.218 4.122 4.340 0.000 0.000 0.208 286 L C 2.708 179.588 176.870 0.018 0.000 1.073 286 L CA 1.799 56.610 54.840 -0.049 0.000 0.745 286 L CB -0.594 41.417 42.059 -0.081 0.000 0.894 286 L HN 0.603 nan 8.230 nan 0.000 0.432 287 H N -0.681 118.347 119.070 -0.070 0.000 2.363 287 H HA -0.078 4.478 4.556 0.000 0.000 0.301 287 H C 1.739 177.058 175.328 -0.016 0.000 1.074 287 H CA 1.915 57.935 56.048 -0.046 0.000 1.354 287 H CB 0.594 30.335 29.762 -0.034 0.000 1.397 287 H HN 0.296 nan 8.280 nan 0.000 0.516 288 V N -3.176 116.735 119.914 -0.005 0.000 3.477 288 V HA 0.487 4.607 4.120 0.000 0.000 0.297 288 V C 0.544 176.648 176.094 0.016 0.000 1.433 288 V CA 0.366 62.651 62.300 -0.025 0.000 1.052 288 V CB 0.524 32.367 31.823 0.033 0.000 0.895 288 V HN 0.551 nan 8.190 nan 0.000 0.438 289 G N -0.010 108.806 108.800 0.027 0.000 2.784 289 G HA2 -0.175 3.786 3.960 0.000 0.000 0.686 289 G HA3 -0.175 3.786 3.960 0.000 0.000 0.686 289 G C -0.438 174.528 174.900 0.108 0.000 1.156 289 G CA -0.092 45.049 45.100 0.068 0.000 0.757 289 G HN 0.322 nan 8.290 nan 0.000 0.642 290 F N 0.954 120.934 119.950 0.050 0.000 2.161 290 F HA -0.064 4.463 4.527 0.000 0.000 0.300 290 F C 2.369 178.261 175.800 0.152 0.000 1.089 290 F CA 2.459 60.526 58.000 0.112 0.000 1.282 290 F CB 0.133 39.187 39.000 0.090 0.000 1.010 290 F HN 0.564 nan 8.300 nan 0.000 0.485 291 D N 0.033 120.545 120.400 0.186 0.000 2.116 291 D HA -0.215 4.425 4.640 0.000 0.000 0.193 291 D C 1.908 178.211 176.300 0.005 0.000 0.998 291 D CA 1.413 55.476 54.000 0.105 0.000 0.836 291 D CB -0.562 40.296 40.800 0.097 0.000 0.951 291 D HN 0.297 nan 8.370 nan 0.000 0.449 292 N N -0.033 118.664 118.700 -0.005 0.000 2.244 292 N HA -0.117 4.623 4.740 0.000 0.000 0.183 292 N C 1.650 177.113 175.510 -0.078 0.000 1.016 292 N CA 0.186 53.194 53.050 -0.071 0.000 0.866 292 N CB -0.436 38.001 38.487 -0.084 0.000 0.980 292 N HN 0.160 nan 8.380 nan 0.000 0.430 293 F N 2.344 122.146 119.950 -0.247 0.000 2.134 293 F HA -0.076 4.451 4.527 0.000 0.000 0.299 293 F C 2.148 177.771 175.800 -0.294 0.000 1.097 293 F CA 1.307 59.124 58.000 -0.305 0.000 1.264 293 F CB -0.106 38.609 39.000 -0.474 0.000 1.001 293 F HN 0.032 nan 8.300 nan 0.000 0.479 294 E N -0.473 119.539 120.200 -0.313 0.000 2.077 294 E HA -0.231 4.119 4.350 0.000 0.000 0.193 294 E C 2.203 178.704 176.600 -0.164 0.000 0.989 294 E CA 1.167 57.414 56.400 -0.255 0.000 0.800 294 E CB -0.198 29.450 29.700 -0.086 0.000 0.746 294 E HN 0.465 nan 8.360 nan 0.000 0.452 295 Q N 0.422 120.153 119.800 -0.114 0.000 2.124 295 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 295 Q C 2.384 178.319 176.000 -0.108 0.000 0.977 295 Q CA 0.772 56.546 55.803 -0.048 0.000 0.850 295 Q CB -0.359 28.348 28.738 -0.051 0.000 0.901 295 Q HN 0.244 nan 8.270 nan 0.000 0.429 296 L N 0.531 121.639 121.223 -0.192 0.000 2.012 296 L HA -0.168 4.172 4.340 0.000 0.000 0.210 296 L C 2.150 178.930 176.870 -0.149 0.000 1.073 296 L CA 1.504 56.231 54.840 -0.188 0.000 0.748 296 L CB -0.560 41.361 42.059 -0.231 0.000 0.891 296 L HN 0.135 nan 8.230 nan 0.000 0.431 297 L N -1.033 120.043 121.223 -0.245 0.000 2.093 297 L HA -0.176 4.164 4.340 0.000 0.000 0.208 297 L C 2.492 179.281 176.870 -0.136 0.000 1.085 297 L CA 1.356 56.092 54.840 -0.173 0.000 0.755 297 L CB -0.724 41.185 42.059 -0.251 0.000 0.904 297 L HN 0.346 nan 8.230 nan 0.000 0.435 298 S N 0.079 115.717 115.700 -0.103 0.000 2.368 298 S HA -0.099 4.371 4.470 0.000 0.000 0.224 298 S C 2.157 176.589 174.600 -0.281 0.000 1.029 298 S CA 0.906 59.114 58.200 0.014 0.000 0.988 298 S CB -1.090 62.218 63.200 0.179 0.000 0.838 298 S HN 0.506 nan 8.310 nan 0.000 0.462 299 G N 2.010 110.249 108.800 -0.935 0.000 2.513 299 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 299 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 299 G C 1.591 176.179 174.900 -0.519 0.000 1.160 299 G CA 1.157 45.298 45.100 -1.598 0.000 0.767 299 G HN 0.676 nan 8.290 nan 0.000 0.571 300 A N -0.039 122.603 122.820 -0.297 0.000 1.930 300 A HA -0.030 4.290 4.320 0.000 0.000 0.217 300 A C 2.123 179.666 177.584 -0.068 0.000 1.175 300 A CA 1.996 53.895 52.037 -0.230 0.000 0.627 300 A CB -0.710 17.913 19.000 -0.628 0.000 0.815 300 A HN 0.497 nan 8.150 nan 0.000 0.443 301 H N -1.790 117.195 119.070 -0.141 0.000 2.319 301 H HA -0.218 4.338 4.556 0.000 0.000 0.299 301 H C 1.772 177.144 175.328 0.073 0.000 1.092 301 H CA 1.985 58.014 56.048 -0.032 0.000 1.302 301 H CB -0.673 29.084 29.762 -0.007 0.000 1.373 301 H HN 0.655 nan 8.280 nan 0.000 0.497 302 W N 0.213 121.439 121.300 -0.123 0.000 2.321 302 W HA -0.281 4.379 4.660 0.000 0.000 0.306 302 W C 2.446 178.964 176.519 -0.001 0.000 1.217 302 W CA 2.271 59.573 57.345 -0.072 0.000 1.257 302 W CB -0.303 29.205 29.460 0.081 0.000 1.145 302 W HN 0.325 nan 8.180 nan 0.000 0.509 303 M N 0.637 120.429 119.600 0.320 0.000 2.254 303 M HA -0.113 4.367 4.480 0.000 0.000 0.265 303 M C 1.388 177.838 176.300 0.250 0.000 1.066 303 M CA 1.953 57.443 55.300 0.316 0.000 1.123 303 M CB -0.785 31.986 32.600 0.285 0.000 1.388 303 M HN -0.174 nan 8.290 nan 0.000 0.425 304 D N 0.120 120.663 120.400 0.239 0.000 2.092 304 D HA -0.210 4.431 4.640 0.000 0.000 0.193 304 D C 1.986 178.355 176.300 0.114 0.000 0.994 304 D CA 1.628 55.850 54.000 0.371 0.000 0.828 304 D CB -0.457 40.568 40.800 0.376 0.000 0.963 304 D HN 0.528 nan 8.370 nan 0.000 0.450 305 Q N -0.563 119.157 119.800 -0.134 0.000 2.061 305 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 305 Q C 2.230 178.005 176.000 -0.376 0.000 0.984 305 Q CA 1.256 56.858 55.803 -0.335 0.000 0.846 305 Q CB -0.258 28.192 28.738 -0.479 0.000 0.902 305 Q HN 0.513 nan 8.270 nan 0.000 0.421 306 H N -0.086 118.661 119.070 -0.539 0.000 2.352 306 H HA -0.191 4.365 4.556 0.000 0.000 0.299 306 H C 1.900 177.123 175.328 -0.175 0.000 1.097 306 H CA 1.642 57.408 56.048 -0.469 0.000 1.311 306 H CB -0.171 29.288 29.762 -0.506 0.000 1.377 306 H HN 0.282 nan 8.280 nan 0.000 0.504 307 F N 1.832 121.706 119.950 -0.126 0.000 2.186 307 F HA -0.052 4.475 4.527 0.000 0.000 0.299 307 F C 2.831 178.431 175.800 -0.333 0.000 1.090 307 F CA 1.395 59.308 58.000 -0.144 0.000 1.307 307 F CB -0.526 38.425 39.000 -0.081 0.000 1.019 307 F HN 0.020 nan 8.300 nan 0.000 0.489 308 R N -0.513 119.595 120.500 -0.653 0.000 2.115 308 R HA -0.071 4.269 4.340 0.000 0.000 0.226 308 R C 1.735 177.660 176.300 -0.624 0.000 1.100 308 R CA 1.746 57.309 56.100 -0.894 0.000 0.980 308 R CB -0.279 29.419 30.300 -1.002 0.000 0.875 308 R HN 0.452 nan 8.270 nan 0.000 0.445 309 T N -3.497 110.760 114.554 -0.494 0.000 3.054 309 T HA 0.173 4.523 4.350 0.000 0.000 0.255 309 T C 0.343 174.831 174.700 -0.353 0.000 1.035 309 T CA -0.308 61.560 62.100 -0.388 0.000 0.941 309 T CB 0.637 69.303 68.868 -0.337 0.000 1.026 309 T HN -0.133 nan 8.240 nan 0.000 0.533 310 T N 4.787 119.091 114.554 -0.417 0.000 2.806 310 T HA 0.467 4.817 4.350 0.000 0.000 0.290 310 T C -2.635 171.909 174.700 -0.259 0.000 0.966 310 T CA -1.105 60.775 62.100 -0.367 0.000 1.060 310 T CB 1.210 69.730 68.868 -0.580 0.000 0.927 310 T HN 0.116 nan 8.240 nan 0.000 0.485 311 P HA 0.075 nan 4.420 nan 0.000 0.266 311 P C 1.075 178.301 177.300 -0.124 0.000 1.186 311 P CA -0.055 62.957 63.100 -0.146 0.000 0.767 311 P CB 0.498 32.129 31.700 -0.115 0.000 0.820 312 L N 1.985 123.144 121.223 -0.106 0.000 2.013 312 L HA -0.230 4.110 4.340 0.000 0.000 0.212 312 L C 2.271 179.101 176.870 -0.067 0.000 1.073 312 L CA 1.797 56.592 54.840 -0.076 0.000 0.753 312 L CB -0.893 41.123 42.059 -0.071 0.000 0.890 312 L HN 0.543 nan 8.230 nan 0.000 0.432 313 E N 0.770 120.923 120.200 -0.077 0.000 2.463 313 E HA -0.208 4.142 4.350 0.000 0.000 0.201 313 E C 0.906 177.477 176.600 -0.049 0.000 1.045 313 E CA 1.116 57.471 56.400 -0.076 0.000 0.872 313 E CB -0.100 29.546 29.700 -0.089 0.000 0.797 313 E HN 0.525 nan 8.360 nan 0.000 0.538 314 K N 0.593 120.973 120.400 -0.035 0.000 2.501 314 K HA 0.141 4.462 4.320 0.000 0.000 0.204 314 K C 0.122 176.761 176.600 0.065 0.000 1.067 314 K CA -0.354 55.944 56.287 0.018 0.000 1.060 314 K CB 0.403 32.911 32.500 0.013 0.000 0.873 314 K HN -0.055 nan 8.250 nan 0.000 0.540 315 N N 1.729 120.450 118.700 0.034 0.000 2.406 315 N HA 0.125 4.865 4.740 0.000 0.000 0.251 315 N C 0.767 176.411 175.510 0.223 0.000 1.069 315 N CA 0.149 53.267 53.050 0.112 0.000 0.947 315 N CB 1.428 39.936 38.487 0.034 0.000 1.111 315 N HN 0.115 nan 8.380 nan 0.000 0.497 316 A N 6.951 130.025 122.820 0.422 0.000 1.869 316 A HA -0.134 4.186 4.320 0.000 0.000 0.218 316 A C -0.590 177.021 177.584 0.045 0.000 1.203 316 A CA 1.550 53.683 52.037 0.160 0.000 0.638 316 A CB -1.415 17.619 19.000 0.056 0.000 0.831 316 A HN 0.618 nan 8.150 nan 0.000 0.450 317 P HA -0.049 nan 4.420 nan 0.000 0.218 317 P C 1.585 178.863 177.300 -0.037 0.000 1.149 317 P CA 1.183 64.249 63.100 -0.057 0.000 0.817 317 P CB -0.231 31.394 31.700 -0.125 0.000 0.785 318 V N -0.011 119.933 119.914 0.050 0.000 2.358 318 V HA -0.188 3.933 4.120 0.000 0.000 0.246 318 V C 2.632 178.691 176.094 -0.058 0.000 1.047 318 V CA 1.496 63.818 62.300 0.037 0.000 1.035 318 V CB -1.136 30.738 31.823 0.085 0.000 0.658 318 V HN 0.030 nan 8.190 nan 0.000 0.452 319 L N -0.844 120.320 121.223 -0.099 0.000 2.056 319 L HA -0.142 4.198 4.340 0.000 0.000 0.207 319 L C 2.428 179.182 176.870 -0.193 0.000 1.078 319 L CA 1.320 56.031 54.840 -0.215 0.000 0.749 319 L CB -0.534 41.300 42.059 -0.376 0.000 0.901 319 L HN 0.301 nan 8.230 nan 0.000 0.433 320 L N -0.161 120.975 121.223 -0.145 0.000 2.012 320 L HA -0.249 4.091 4.340 0.000 0.000 0.210 320 L C 2.928 179.754 176.870 -0.074 0.000 1.073 320 L CA 1.411 56.195 54.840 -0.095 0.000 0.748 320 L CB -0.784 41.184 42.059 -0.152 0.000 0.891 320 L HN 0.275 nan 8.230 nan 0.000 0.431 321 A N 0.153 122.912 122.820 -0.101 0.000 1.877 321 A HA -0.186 4.134 4.320 0.000 0.000 0.216 321 A C 2.240 179.760 177.584 -0.106 0.000 1.186 321 A CA 1.506 53.472 52.037 -0.117 0.000 0.620 321 A CB -0.763 18.162 19.000 -0.126 0.000 0.822 321 A HN 0.355 nan 8.150 nan 0.000 0.443 322 L N -0.679 120.483 121.223 -0.101 0.000 2.046 322 L HA -0.198 4.142 4.340 0.000 0.000 0.208 322 L C 2.579 179.434 176.870 -0.025 0.000 1.077 322 L CA 1.105 55.895 54.840 -0.082 0.000 0.747 322 L CB -0.579 41.413 42.059 -0.113 0.000 0.896 322 L HN 0.380 nan 8.230 nan 0.000 0.432 323 L N -0.527 120.676 121.223 -0.033 0.000 2.042 323 L HA -0.170 4.170 4.340 0.000 0.000 0.210 323 L C 2.667 179.600 176.870 0.104 0.000 1.076 323 L CA 1.470 56.317 54.840 0.012 0.000 0.749 323 L CB -1.168 40.945 42.059 0.091 0.000 0.893 323 L HN 0.320 nan 8.230 nan 0.000 0.432 324 G N 0.259 109.147 108.800 0.145 0.000 2.421 324 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 324 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 324 G C 1.516 176.563 174.900 0.245 0.000 1.171 324 G CA 0.516 45.749 45.100 0.222 0.000 0.775 324 G HN 0.144 nan 8.290 nan 0.000 0.543 325 I N 0.108 120.763 120.570 0.141 0.000 2.151 325 I HA -0.196 3.975 4.170 0.000 0.000 0.243 325 I C 2.433 178.739 176.117 0.314 0.000 1.080 325 I CA 1.001 62.417 61.300 0.193 0.000 1.339 325 I CB -1.260 36.757 38.000 0.027 0.000 1.039 325 I HN 0.489 nan 8.210 nan 0.000 0.409 326 W N 1.073 122.392 121.300 0.032 0.000 2.321 326 W HA -0.305 4.355 4.660 0.000 0.000 0.306 326 W C 2.400 179.003 176.519 0.140 0.000 1.217 326 W CA 1.390 58.741 57.345 0.010 0.000 1.257 326 W CB -0.331 29.031 29.460 -0.164 0.000 1.145 326 W HN 0.117 nan 8.180 nan 0.000 0.509 327 Y N -0.007 120.457 120.300 0.274 0.000 2.420 327 Y HA -0.030 4.520 4.550 0.000 0.000 0.292 327 Y C 2.366 178.367 175.900 0.168 0.000 1.119 327 Y CA 1.032 59.223 58.100 0.151 0.000 1.229 327 Y CB -0.878 37.663 38.460 0.136 0.000 1.026 327 Y HN -0.107 nan 8.280 nan 0.000 0.554 328 I N -0.399 120.384 120.570 0.357 0.000 2.296 328 I HA -0.212 3.958 4.170 0.000 0.000 0.242 328 I C 1.275 177.535 176.117 0.239 0.000 1.087 328 I CA 1.319 62.803 61.300 0.307 0.000 1.393 328 I CB -0.235 38.008 38.000 0.405 0.000 1.093 328 I HN 0.097 nan 8.210 nan 0.000 0.421 329 N N -0.854 118.009 118.700 0.272 0.000 2.424 329 N HA -0.008 4.732 4.740 0.000 0.000 0.178 329 N C 1.380 176.940 175.510 0.083 0.000 1.060 329 N CA 0.489 53.700 53.050 0.268 0.000 0.901 329 N CB 0.263 39.014 38.487 0.440 0.000 0.979 329 N HN 0.322 nan 8.380 nan 0.000 0.451 330 C N -1.262 117.922 119.300 -0.193 0.000 2.370 330 C HA 0.272 4.732 4.460 0.000 0.000 0.348 330 C C 1.961 176.365 174.990 -0.977 0.000 1.477 330 C CA -0.360 58.184 59.018 -0.789 0.000 2.302 330 C CB -1.011 25.954 27.740 -1.292 0.000 2.220 330 C HN 0.311 nan 8.230 nan 0.000 0.625 331 F N 1.687 121.237 119.950 -0.668 0.000 2.234 331 F HA 0.169 4.696 4.527 0.000 0.000 0.299 331 F C 2.178 177.950 175.800 -0.046 0.000 1.087 331 F CA 1.959 59.824 58.000 -0.225 0.000 1.340 331 F CB -0.430 38.554 39.000 -0.025 0.000 1.031 331 F HN 0.458 nan 8.300 nan 0.000 0.500 332 G N -0.655 108.231 108.800 0.144 0.000 2.132 332 G HA2 -0.272 3.688 3.960 0.000 0.000 0.228 332 G HA3 -0.272 3.688 3.960 0.000 0.000 0.228 332 G C -0.090 174.897 174.900 0.146 0.000 1.000 332 G CA -0.235 44.940 45.100 0.125 0.000 0.693 332 G HN 0.297 nan 8.290 nan 0.000 0.515 333 C N 0.970 120.382 119.300 0.187 0.000 2.648 333 C HA 0.330 4.790 4.460 0.000 0.000 0.415 333 C C 1.839 176.919 174.990 0.149 0.000 1.366 333 C CA 0.026 59.137 59.018 0.154 0.000 1.756 333 C CB 0.339 28.166 27.740 0.145 0.000 2.549 333 C HN 0.606 nan 8.230 nan 0.000 0.597 334 E N 0.654 120.924 120.200 0.116 0.000 2.216 334 E HA -0.061 4.289 4.350 0.000 0.000 0.192 334 E C 1.158 177.845 176.600 0.144 0.000 0.988 334 E CA 0.945 57.405 56.400 0.100 0.000 0.834 334 E CB 0.243 29.976 29.700 0.056 0.000 0.772 334 E HN 0.907 nan 8.360 nan 0.000 0.479 335 T N -2.128 112.541 114.554 0.191 0.000 2.910 335 T HA 0.445 4.796 4.350 0.000 0.000 0.287 335 T C -1.051 173.844 174.700 0.324 0.000 1.050 335 T CA -0.903 61.372 62.100 0.292 0.000 1.011 335 T CB 2.154 71.273 68.868 0.418 0.000 1.195 335 T HN 0.067 nan 8.240 nan 0.000 0.540 336 H N -0.335 118.850 119.070 0.192 0.000 3.096 336 H HA 0.642 5.198 4.556 0.000 0.000 0.335 336 H C -0.854 174.366 175.328 -0.179 0.000 0.990 336 H CA -0.191 55.888 56.048 0.052 0.000 1.393 336 H CB 1.148 30.968 29.762 0.098 0.000 1.742 336 H HN 1.064 nan 8.280 nan 0.000 0.501 337 A N 5.633 128.040 122.820 -0.689 0.000 2.309 337 A HA 0.568 4.888 4.320 0.000 0.000 0.298 337 A C -0.454 176.718 177.584 -0.686 0.000 1.165 337 A CA -0.667 50.760 52.037 -1.016 0.000 0.821 337 A CB 0.344 18.656 19.000 -1.146 0.000 1.102 337 A HN 0.766 nan 8.150 nan 0.000 0.500 338 M N 3.071 122.397 119.600 -0.457 0.000 2.114 338 M HA 0.375 4.855 4.480 0.000 0.000 0.332 338 M C -1.228 174.999 176.300 -0.120 0.000 1.014 338 M CA 0.181 55.368 55.300 -0.188 0.000 0.956 338 M CB 1.158 33.724 32.600 -0.057 0.000 1.551 338 M HN 0.517 nan 8.290 nan 0.000 0.427 339 L N 5.730 126.892 121.223 -0.100 0.000 2.408 339 L HA 0.474 4.814 4.340 0.000 0.000 0.257 339 L C -2.407 174.580 176.870 0.195 0.000 1.053 339 L CA -1.820 52.997 54.840 -0.038 0.000 0.922 339 L CB 0.521 42.392 42.059 -0.314 0.000 1.261 339 L HN 0.319 nan 8.230 nan 0.000 0.458 340 P HA 0.116 nan 4.420 nan 0.000 0.286 340 P C -0.982 176.537 177.300 0.364 0.000 1.269 340 P CA -0.246 63.053 63.100 0.332 0.000 0.787 340 P CB 0.653 32.492 31.700 0.231 0.000 0.920 341 Y N 2.408 122.837 120.300 0.214 0.000 2.812 341 Y HA 0.298 4.848 4.550 0.000 0.000 0.354 341 Y C 0.493 176.473 175.900 0.133 0.000 1.276 341 Y CA 0.056 58.273 58.100 0.194 0.000 1.639 341 Y CB -0.148 38.480 38.460 0.280 0.000 1.741 341 Y HN 0.326 nan 8.280 nan 0.000 0.479 342 D N 0.984 121.500 120.400 0.193 0.000 2.548 342 D HA 0.007 4.647 4.640 0.000 0.000 0.214 342 D C 0.406 176.777 176.300 0.119 0.000 1.345 342 D CA -0.128 53.968 54.000 0.161 0.000 0.945 342 D CB 1.375 42.300 40.800 0.207 0.000 1.499 342 D HN 0.238 nan 8.370 nan 0.000 0.579 343 Q N 2.571 122.387 119.800 0.026 0.000 2.135 343 Q HA -0.149 4.192 4.340 0.000 0.000 0.204 343 Q C 1.197 177.250 176.000 0.088 0.000 0.981 343 Q CA 1.766 57.557 55.803 -0.021 0.000 0.856 343 Q CB -0.209 28.425 28.738 -0.173 0.000 0.902 343 Q HN 0.694 nan 8.270 nan 0.000 0.425 344 Y N -0.637 119.751 120.300 0.147 0.000 2.207 344 Y HA -0.156 4.394 4.550 0.000 0.000 0.287 344 Y C 1.158 177.173 175.900 0.191 0.000 1.156 344 Y CA 0.398 58.604 58.100 0.176 0.000 1.182 344 Y CB 0.103 38.644 38.460 0.135 0.000 0.979 344 Y HN 0.052 nan 8.280 nan 0.000 0.521 345 L N 1.028 122.425 121.223 0.291 0.000 2.777 345 L HA -0.039 4.301 4.340 0.000 0.000 0.244 345 L C 1.444 178.440 176.870 0.210 0.000 1.235 345 L CA 0.078 55.032 54.840 0.188 0.000 1.062 345 L CB -0.730 41.377 42.059 0.081 0.000 1.340 345 L HN 0.475 nan 8.230 nan 0.000 0.439 346 H N -2.538 116.611 119.070 0.131 0.000 2.545 346 H HA 0.011 4.567 4.556 0.000 0.000 0.282 346 H C 1.800 177.191 175.328 0.104 0.000 1.020 346 H CA 0.405 56.515 56.048 0.104 0.000 1.243 346 H CB 0.108 29.909 29.762 0.064 0.000 1.377 346 H HN 0.035 nan 8.280 nan 0.000 0.581 347 R N -0.526 119.778 120.500 -0.326 0.000 2.397 347 R HA 0.114 4.454 4.340 0.000 0.000 0.241 347 R C 0.931 177.210 176.300 -0.034 0.000 0.914 347 R CA -0.250 55.709 56.100 -0.235 0.000 1.071 347 R CB -0.820 29.251 30.300 -0.381 0.000 1.116 347 R HN 0.355 nan 8.270 nan 0.000 0.524 348 F N 1.631 121.533 119.950 -0.081 0.000 2.102 348 F HA -0.178 4.349 4.527 0.000 0.000 0.298 348 F C 2.062 177.901 175.800 0.065 0.000 1.105 348 F CA 1.718 59.714 58.000 -0.007 0.000 1.239 348 F CB -0.154 38.875 39.000 0.049 0.000 0.991 348 F HN 0.084 nan 8.300 nan 0.000 0.474 349 A N 0.214 123.103 122.820 0.115 0.000 1.908 349 A HA -0.106 4.214 4.320 0.000 0.000 0.218 349 A C 2.400 179.969 177.584 -0.025 0.000 1.181 349 A CA 1.930 53.979 52.037 0.020 0.000 0.627 349 A CB -1.576 17.454 19.000 0.051 0.000 0.818 349 A HN 0.495 nan 8.150 nan 0.000 0.445 350 A N -1.566 121.243 122.820 -0.018 0.000 1.902 350 A HA -0.109 4.211 4.320 0.000 0.000 0.217 350 A C 2.134 179.652 177.584 -0.111 0.000 1.181 350 A CA 1.660 53.670 52.037 -0.045 0.000 0.623 350 A CB -0.840 18.137 19.000 -0.038 0.000 0.818 350 A HN 0.740 nan 8.150 nan 0.000 0.443 351 Y N -0.723 119.391 120.300 -0.310 0.000 2.128 351 Y HA -0.220 4.330 4.550 0.000 0.000 0.284 351 Y C 1.800 177.363 175.900 -0.561 0.000 1.154 351 Y CA 2.000 59.811 58.100 -0.482 0.000 1.149 351 Y CB -0.411 37.656 38.460 -0.654 0.000 0.976 351 Y HN 0.292 nan 8.280 nan 0.000 0.505 352 F N -0.165 119.573 119.950 -0.354 0.000 2.710 352 F HA -0.044 4.483 4.527 0.000 0.000 0.298 352 F C 2.491 178.130 175.800 -0.268 0.000 1.137 352 F CA 0.740 58.502 58.000 -0.398 0.000 1.444 352 F CB -0.188 38.544 39.000 -0.446 0.000 1.111 352 F HN 0.116 nan 8.300 nan 0.000 0.580 353 Q N 0.696 120.456 119.800 -0.067 0.000 2.084 353 Q HA -0.293 4.047 4.340 0.000 0.000 0.202 353 Q C 2.266 178.210 176.000 -0.094 0.000 0.978 353 Q CA 2.032 57.814 55.803 -0.036 0.000 0.844 353 Q CB -0.079 28.645 28.738 -0.023 0.000 0.898 353 Q HN 0.545 nan 8.270 nan 0.000 0.426 354 Q N -0.967 118.708 119.800 -0.208 0.000 1.994 354 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 354 Q C 2.021 177.847 176.000 -0.291 0.000 0.976 354 Q CA 1.539 57.190 55.803 -0.253 0.000 0.828 354 Q CB -0.531 28.003 28.738 -0.340 0.000 0.894 354 Q HN 0.443 nan 8.270 nan 0.000 0.432 355 G N 1.082 109.600 108.800 -0.471 0.000 2.505 355 G HA2 -0.347 3.613 3.960 0.000 0.000 0.220 355 G HA3 -0.347 3.613 3.960 0.000 0.000 0.220 355 G C 1.273 176.112 174.900 -0.102 0.000 1.145 355 G CA 1.187 46.044 45.100 -0.405 0.000 0.761 355 G HN 0.491 nan 8.290 nan 0.000 0.571 356 D N 0.185 120.596 120.400 0.017 0.000 2.085 356 D HA -0.012 4.628 4.640 0.000 0.000 0.199 356 D C 2.770 179.092 176.300 0.036 0.000 0.981 356 D CA 0.814 54.851 54.000 0.062 0.000 0.834 356 D CB -0.156 40.694 40.800 0.082 0.000 0.992 356 D HN 0.315 nan 8.370 nan 0.000 0.457 357 M N 0.349 119.955 119.600 0.010 0.000 2.175 357 M HA -0.081 4.400 4.480 0.000 0.000 0.264 357 M C 2.221 178.515 176.300 -0.009 0.000 1.063 357 M CA 1.045 56.352 55.300 0.011 0.000 1.119 357 M CB -0.167 32.436 32.600 0.004 0.000 1.377 357 M HN 0.021 nan 8.290 nan 0.000 0.415 358 E N 0.012 120.184 120.200 -0.046 0.000 2.107 358 E HA -0.114 4.236 4.350 0.000 0.000 0.191 358 E C 1.900 178.483 176.600 -0.028 0.000 0.982 358 E CA 1.082 57.452 56.400 -0.049 0.000 0.809 358 E CB 0.260 29.905 29.700 -0.092 0.000 0.756 358 E HN 0.374 nan 8.360 nan 0.000 0.459 359 S N 1.018 116.701 115.700 -0.028 0.000 2.343 359 S HA -0.075 4.395 4.470 0.000 0.000 0.219 359 S C 1.276 175.881 174.600 0.007 0.000 1.033 359 S CA 1.194 59.380 58.200 -0.022 0.000 1.014 359 S CB -0.079 63.117 63.200 -0.007 0.000 0.915 359 S HN 0.275 nan 8.310 nan 0.000 0.435 360 N N 0.697 119.436 118.700 0.065 0.000 2.234 360 N HA 0.196 4.936 4.740 0.000 0.000 0.227 360 N C 0.177 175.727 175.510 0.067 0.000 1.151 360 N CA 0.008 53.138 53.050 0.133 0.000 0.865 360 N CB 0.581 39.262 38.487 0.324 0.000 1.066 360 N HN 0.293 nan 8.380 nan 0.000 0.515 361 G N 1.061 109.884 108.800 0.037 0.000 2.865 361 G HA2 0.191 4.151 3.960 0.000 0.000 0.292 361 G HA3 0.191 4.151 3.960 0.000 0.000 0.292 361 G C 0.177 175.103 174.900 0.044 0.000 0.800 361 G CA -0.006 45.101 45.100 0.012 0.000 1.838 361 G HN -0.124 nan 8.290 nan 0.000 0.535 362 K N 0.743 121.168 120.400 0.042 0.000 2.512 362 K HA 0.309 4.629 4.320 0.000 0.000 0.263 362 K C -0.597 176.087 176.600 0.141 0.000 0.966 362 K CA -0.938 55.419 56.287 0.116 0.000 0.851 362 K CB 1.970 34.531 32.500 0.101 0.000 1.395 362 K HN 0.478 nan 8.250 nan 0.000 0.440 363 Y N -1.410 118.867 120.300 -0.038 0.000 2.729 363 Y HA 0.409 4.959 4.550 0.000 0.000 0.266 363 Y C -0.293 175.584 175.900 -0.037 0.000 1.064 363 Y CA -0.553 57.499 58.100 -0.080 0.000 1.251 363 Y CB 0.832 39.240 38.460 -0.087 0.000 1.379 363 Y HN 0.176 nan 8.280 nan 0.000 0.569 364 I N 3.587 123.964 120.570 -0.323 0.000 2.355 364 I HA 0.265 4.435 4.170 0.000 0.000 0.288 364 I C 0.613 176.716 176.117 -0.023 0.000 0.999 364 I CA -0.783 60.357 61.300 -0.266 0.000 1.163 364 I CB 1.106 38.932 38.000 -0.289 0.000 1.316 364 I HN 0.343 nan 8.210 nan 0.000 0.454 365 T N 2.262 116.820 114.554 0.008 0.000 2.788 365 T HA 0.249 4.599 4.350 0.000 0.000 0.280 365 T C 1.185 175.961 174.700 0.126 0.000 0.984 365 T CA -0.472 61.687 62.100 0.099 0.000 0.972 365 T CB 1.544 70.458 68.868 0.076 0.000 1.039 365 T HN 0.628 nan 8.240 nan 0.000 0.530 366 K N 0.109 120.569 120.400 0.098 0.000 2.103 366 K HA -0.127 4.193 4.320 0.000 0.000 0.207 366 K C 2.347 178.891 176.600 -0.092 0.000 1.048 366 K CA 1.614 57.833 56.287 -0.113 0.000 0.930 366 K CB -0.495 31.762 32.500 -0.405 0.000 0.716 366 K HN 0.750 nan 8.250 nan 0.000 0.444 367 S N -1.119 114.554 115.700 -0.045 0.000 2.515 367 S HA 0.042 4.512 4.470 0.000 0.000 0.231 367 S C 1.342 175.933 174.600 -0.013 0.000 0.987 367 S CA 0.658 58.838 58.200 -0.033 0.000 0.936 367 S CB 0.110 63.298 63.200 -0.021 0.000 0.766 367 S HN 0.520 nan 8.310 nan 0.000 0.528 368 G N 0.810 109.610 108.800 -0.000 0.000 2.157 368 G HA2 -0.217 3.743 3.960 0.000 0.000 0.239 368 G HA3 -0.217 3.743 3.960 0.000 0.000 0.239 368 G C 0.134 175.007 174.900 -0.044 0.000 0.982 368 G CA 0.212 45.303 45.100 -0.015 0.000 0.650 368 G HN 1.046 nan 8.290 nan 0.000 0.527 369 T N -0.950 113.583 114.554 -0.036 0.000 2.929 369 T HA 0.617 4.967 4.350 0.000 0.000 0.284 369 T C 0.570 175.228 174.700 -0.071 0.000 1.014 369 T CA -0.328 61.747 62.100 -0.042 0.000 1.051 369 T CB 1.379 70.239 68.868 -0.013 0.000 1.028 369 T HN 0.466 nan 8.240 nan 0.000 0.485 370 R N 2.297 122.753 120.500 -0.074 0.000 2.570 370 R HA 0.315 4.655 4.340 0.000 0.000 0.277 370 R C 0.561 176.823 176.300 -0.064 0.000 1.039 370 R CA -0.334 55.716 56.100 -0.083 0.000 1.065 370 R CB 0.271 30.573 30.300 0.003 0.000 0.964 370 R HN 0.708 nan 8.270 nan 0.000 0.428 371 V N 1.252 121.096 119.914 -0.116 0.000 3.096 371 V HA 0.086 4.206 4.120 0.000 0.000 0.306 371 V C 0.396 176.360 176.094 -0.217 0.000 1.088 371 V CA -0.079 62.064 62.300 -0.262 0.000 1.129 371 V CB 1.273 32.700 31.823 -0.659 0.000 1.014 371 V HN 0.966 nan 8.190 nan 0.000 0.486 372 D N 0.439 120.724 120.400 -0.193 0.000 2.720 372 D HA 0.228 4.868 4.640 0.000 0.000 0.285 372 D C -0.024 176.286 176.300 0.015 0.000 1.359 372 D CA 0.005 53.977 54.000 -0.047 0.000 0.818 372 D CB -0.473 40.357 40.800 0.050 0.000 1.108 372 D HN 1.027 nan 8.370 nan 0.000 0.474 373 H N -3.296 115.769 119.070 -0.008 0.000 2.942 373 H HA 0.529 5.085 4.556 0.000 0.000 0.316 373 H C -0.493 174.769 175.328 -0.110 0.000 1.323 373 H CA -1.016 55.021 56.048 -0.017 0.000 1.144 373 H CB 0.443 30.197 29.762 -0.012 0.000 1.866 373 H HN -0.305 nan 8.280 nan 0.000 0.545 374 Q N 0.620 120.438 119.800 0.029 0.000 2.394 374 Q HA 0.290 4.630 4.340 0.000 0.000 0.248 374 Q C 0.245 175.962 176.000 -0.472 0.000 0.992 374 Q CA 0.503 56.214 55.803 -0.153 0.000 0.888 374 Q CB 1.673 30.380 28.738 -0.051 0.000 1.257 374 Q HN 0.974 nan 8.270 nan 0.000 0.462 375 T N -2.698 111.433 114.554 -0.706 0.000 2.628 375 T HA 0.531 4.881 4.350 0.000 0.000 0.223 375 T C 0.594 174.634 174.700 -1.101 0.000 0.959 375 T CA -0.244 60.974 62.100 -1.469 0.000 1.113 375 T CB -0.415 67.948 68.868 -0.840 0.000 2.140 375 T HN 0.609 nan 8.240 nan 0.000 0.516 376 G N 3.257 111.672 108.800 -0.642 0.000 2.349 376 G HA2 0.412 4.372 3.960 0.000 0.000 0.232 376 G HA3 0.412 4.372 3.960 0.000 0.000 0.232 376 G C -2.169 172.729 174.900 -0.003 0.000 1.240 376 G CA -0.555 44.508 45.100 -0.062 0.000 0.870 376 G HN 0.711 nan 8.290 nan 0.000 0.528 377 P HA 0.394 nan 4.420 nan 0.000 0.280 377 P C -0.239 177.138 177.300 0.128 0.000 1.272 377 P CA -0.816 62.364 63.100 0.135 0.000 0.819 377 P CB 1.422 33.249 31.700 0.212 0.000 1.122 378 I N 0.495 121.148 120.570 0.139 0.000 2.396 378 I HA 0.132 4.302 4.170 0.000 0.000 0.289 378 I C 0.275 176.555 176.117 0.272 0.000 1.056 378 I CA -0.446 60.943 61.300 0.149 0.000 1.365 378 I CB 0.818 38.876 38.000 0.095 0.000 1.407 378 I HN -0.022 nan 8.210 nan 0.000 0.509 379 V N 7.318 127.371 119.914 0.232 0.000 2.472 379 V HA 0.521 4.641 4.120 0.000 0.000 0.290 379 V C -0.396 175.864 176.094 0.277 0.000 1.037 379 V CA -0.343 62.095 62.300 0.231 0.000 0.908 379 V CB 1.304 33.212 31.823 0.142 0.000 0.985 379 V HN 0.842 nan 8.190 nan 0.000 0.454 380 W N 2.540 123.827 121.300 -0.022 0.000 2.989 380 W HA 0.805 5.465 4.660 0.000 0.000 0.344 380 W C -0.358 176.104 176.519 -0.095 0.000 1.233 380 W CA -0.549 56.749 57.345 -0.078 0.000 1.187 380 W CB 1.280 30.662 29.460 -0.130 0.000 1.443 380 W HN 1.069 nan 8.180 nan 0.000 0.573 381 G N 0.996 109.769 108.800 -0.045 0.000 2.352 381 G HA2 0.354 4.315 3.960 0.000 0.000 0.305 381 G HA3 0.354 4.315 3.960 0.000 0.000 0.305 381 G C -2.002 172.956 174.900 0.096 0.000 1.537 381 G CA -0.905 44.076 45.100 -0.198 0.000 0.959 381 G HN 0.537 nan 8.290 nan 0.000 0.668 382 E N 0.038 120.401 120.200 0.272 0.000 2.367 382 E HA 0.549 4.899 4.350 0.000 0.000 0.273 382 E C -2.638 174.088 176.600 0.209 0.000 0.903 382 E CA -1.530 55.042 56.400 0.288 0.000 0.764 382 E CB 2.713 32.656 29.700 0.403 0.000 1.252 382 E HN 0.315 nan 8.360 nan 0.000 0.446 383 P HA 0.104 nan 4.420 nan 0.000 0.269 383 P C 0.034 177.228 177.300 -0.178 0.000 1.209 383 P CA -0.065 63.048 63.100 0.022 0.000 0.776 383 P CB 0.436 32.167 31.700 0.051 0.000 0.876 384 G N 0.354 108.852 108.800 -0.503 0.000 2.507 384 G HA2 0.367 4.328 3.960 0.000 0.000 0.271 384 G HA3 0.367 4.328 3.960 0.000 0.000 0.271 384 G C 0.837 175.331 174.900 -0.676 0.000 1.189 384 G CA -0.342 44.111 45.100 -1.077 0.000 0.859 384 G HN 0.517 nan 8.290 nan 0.000 0.542 385 T N -1.216 113.089 114.554 -0.415 0.000 3.107 385 T HA -0.003 4.347 4.350 0.000 0.000 0.249 385 T C 1.610 176.148 174.700 -0.270 0.000 1.096 385 T CA 0.213 62.087 62.100 -0.377 0.000 1.012 385 T CB -0.185 68.647 68.868 -0.060 0.000 0.977 385 T HN 0.384 nan 8.240 nan 0.000 0.527 386 N N 2.328 120.899 118.700 -0.215 0.000 2.091 386 N HA -0.052 4.688 4.740 0.000 0.000 0.193 386 N C 2.164 177.516 175.510 -0.264 0.000 1.021 386 N CA 1.721 54.690 53.050 -0.135 0.000 0.862 386 N CB -0.912 37.516 38.487 -0.099 0.000 1.018 386 N HN 0.575 nan 8.380 nan 0.000 0.429 387 G N 0.636 109.114 108.800 -0.537 0.000 2.469 387 G HA2 -0.323 3.637 3.960 0.000 0.000 0.220 387 G HA3 -0.323 3.637 3.960 0.000 0.000 0.220 387 G C 1.286 175.345 174.900 -1.401 0.000 1.136 387 G CA 0.772 45.203 45.100 -1.115 0.000 0.759 387 G HN 0.403 nan 8.290 nan 0.000 0.562 388 Q N -0.513 118.413 119.800 -1.456 0.000 2.248 388 Q HA -0.117 4.223 4.340 0.000 0.000 0.208 388 Q C 1.811 177.439 176.000 -0.619 0.000 0.984 388 Q CA 1.209 56.377 55.803 -1.059 0.000 0.875 388 Q CB -0.140 28.177 28.738 -0.701 0.000 0.910 388 Q HN 0.679 nan 8.270 nan 0.000 0.433 389 H N -1.987 116.888 119.070 -0.325 0.000 2.586 389 H HA 0.364 4.920 4.556 0.000 0.000 0.273 389 H C 0.845 176.106 175.328 -0.112 0.000 0.997 389 H CA 0.457 56.411 56.048 -0.156 0.000 1.177 389 H CB 0.688 30.371 29.762 -0.131 0.000 1.471 389 H HN 0.241 nan 8.280 nan 0.000 0.538 390 A N 1.089 123.853 122.820 -0.094 0.000 2.523 390 A HA 0.188 4.508 4.320 0.000 0.000 0.212 390 A C 1.266 178.905 177.584 0.091 0.000 2.213 390 A CA -0.122 51.920 52.037 0.009 0.000 1.683 390 A CB -0.920 18.104 19.000 0.040 0.000 1.169 390 A HN 0.150 nan 8.150 nan 0.000 0.397 391 F N -1.545 118.550 119.950 0.242 0.000 2.748 391 F HA 0.153 4.680 4.527 0.000 0.000 0.299 391 F C 1.587 177.634 175.800 0.412 0.000 1.154 391 F CA 0.176 58.356 58.000 0.300 0.000 1.446 391 F CB -0.709 38.504 39.000 0.356 0.000 1.112 391 F HN 0.263 nan 8.300 nan 0.000 0.584 392 Y N 1.638 121.922 120.300 -0.027 0.000 2.315 392 Y HA -0.238 4.313 4.550 0.000 0.000 0.288 392 Y C 2.647 178.715 175.900 0.279 0.000 1.154 392 Y CA 1.259 59.445 58.100 0.144 0.000 1.229 392 Y CB -1.206 37.308 38.460 0.090 0.000 0.980 392 Y HN 0.301 nan 8.280 nan 0.000 0.540 393 Q N 0.584 120.600 119.800 0.360 0.000 2.112 393 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 393 Q C 2.183 178.340 176.000 0.262 0.000 0.987 393 Q CA 1.891 57.866 55.803 0.286 0.000 0.858 393 Q CB -0.797 28.050 28.738 0.181 0.000 0.905 393 Q HN 0.610 nan 8.270 nan 0.000 0.420 394 L N -0.664 120.711 121.223 0.254 0.000 2.109 394 L HA -0.022 4.318 4.340 0.000 0.000 0.207 394 L C 2.137 179.116 176.870 0.181 0.000 1.086 394 L CA 0.963 55.919 54.840 0.193 0.000 0.760 394 L CB -0.130 42.036 42.059 0.177 0.000 0.910 394 L HN 0.338 nan 8.230 nan 0.000 0.437 395 I N -1.190 119.503 120.570 0.205 0.000 2.286 395 I HA -0.297 3.874 4.170 0.000 0.000 0.248 395 I C 2.346 178.474 176.117 0.019 0.000 1.115 395 I CA 0.953 62.299 61.300 0.076 0.000 1.392 395 I CB -0.624 37.355 38.000 -0.035 0.000 1.065 395 I HN 0.343 nan 8.210 nan 0.000 0.418 396 H N 0.553 119.727 119.070 0.173 0.000 2.403 396 H HA 0.040 4.596 4.556 0.000 0.000 0.298 396 H C 1.180 176.606 175.328 0.163 0.000 1.059 396 H CA 1.156 57.345 56.048 0.236 0.000 1.363 396 H CB 0.319 30.339 29.762 0.429 0.000 1.410 396 H HN 0.470 nan 8.280 nan 0.000 0.528 397 Q N -0.221 119.695 119.800 0.194 0.000 2.057 397 Q HA 0.216 4.556 4.340 0.000 0.000 0.216 397 Q C 0.667 176.688 176.000 0.035 0.000 0.788 397 Q CA -0.271 55.552 55.803 0.033 0.000 1.053 397 Q CB 1.942 30.613 28.738 -0.111 0.000 1.210 397 Q HN 0.213 nan 8.270 nan 0.000 0.455 398 G N 0.451 109.292 108.800 0.068 0.000 2.531 398 G HA2 0.196 4.156 3.960 0.000 0.000 0.253 398 G HA3 0.196 4.156 3.960 0.000 0.000 0.253 398 G C 0.662 175.587 174.900 0.042 0.000 1.439 398 G CA 0.280 45.412 45.100 0.053 0.000 1.056 398 G HN 0.166 nan 8.290 nan 0.000 0.555 399 T N -2.737 111.840 114.554 0.038 0.000 3.200 399 T HA 0.418 4.768 4.350 0.000 0.000 0.284 399 T C 0.251 174.976 174.700 0.041 0.000 1.009 399 T CA -0.264 61.858 62.100 0.036 0.000 0.907 399 T CB 0.213 69.097 68.868 0.027 0.000 1.120 399 T HN 0.185 nan 8.240 nan 0.000 0.534 400 K N 1.464 121.890 120.400 0.044 0.000 2.203 400 K HA 0.641 4.961 4.320 0.000 0.000 0.251 400 K C -0.746 175.880 176.600 0.045 0.000 0.944 400 K CA -0.722 55.594 56.287 0.047 0.000 0.829 400 K CB 2.027 34.554 32.500 0.044 0.000 1.125 400 K HN 0.256 nan 8.250 nan 0.000 0.430 401 M N 4.120 123.743 119.600 0.039 0.000 2.157 401 M HA 0.451 4.931 4.480 0.000 0.000 0.354 401 M C -1.371 174.917 176.300 -0.018 0.000 1.170 401 M CA -0.232 55.063 55.300 -0.008 0.000 1.060 401 M CB 0.354 32.946 32.600 -0.014 0.000 1.615 401 M HN 0.543 nan 8.290 nan 0.000 0.460 402 I N 7.631 128.171 120.570 -0.050 0.000 2.517 402 I HA 0.373 4.543 4.170 0.000 0.000 0.280 402 I C -2.308 173.732 176.117 -0.128 0.000 1.061 402 I CA -1.847 59.444 61.300 -0.016 0.000 1.091 402 I CB 1.587 39.651 38.000 0.108 0.000 1.205 402 I HN 0.503 nan 8.210 nan 0.000 0.459 403 P HA 0.107 nan 4.420 nan 0.000 0.267 403 P C -0.886 176.282 177.300 -0.221 0.000 1.205 403 P CA -0.075 62.877 63.100 -0.248 0.000 0.765 403 P CB 0.460 32.063 31.700 -0.161 0.000 0.828 404 C N 2.656 121.859 119.300 -0.162 0.000 2.634 404 C HA 0.450 4.910 4.460 0.000 0.000 0.313 404 C C -0.440 174.533 174.990 -0.028 0.000 1.198 404 C CA -0.340 58.552 59.018 -0.211 0.000 1.605 404 C CB 1.754 29.446 27.740 -0.080 0.000 2.196 404 C HN 0.484 nan 8.230 nan 0.000 0.486 405 D N 1.375 121.715 120.400 -0.100 0.000 2.381 405 D HA 0.512 5.152 4.640 0.000 0.000 0.235 405 D C -0.901 175.497 176.300 0.163 0.000 1.068 405 D CA -0.022 54.077 54.000 0.166 0.000 0.832 405 D CB 0.735 41.699 40.800 0.273 0.000 1.101 405 D HN 0.242 nan 8.370 nan 0.000 0.515 406 F N 2.220 122.253 119.950 0.138 0.000 2.410 406 F HA 0.440 4.967 4.527 0.000 0.000 0.349 406 F C -0.061 176.020 175.800 0.467 0.000 1.117 406 F CA -0.680 57.441 58.000 0.202 0.000 1.104 406 F CB 0.780 39.635 39.000 -0.243 0.000 1.122 406 F HN 0.054 nan 8.300 nan 0.000 0.483 407 L N 5.164 126.772 121.223 0.642 0.000 2.362 407 L HA 0.727 5.067 4.340 0.000 0.000 0.271 407 L C -0.769 176.265 176.870 0.273 0.000 1.002 407 L CA -0.520 54.629 54.840 0.516 0.000 0.818 407 L CB 2.285 44.635 42.059 0.485 0.000 1.298 407 L HN 0.578 nan 8.230 nan 0.000 0.420 408 I N 2.618 123.054 120.570 -0.223 0.000 2.785 408 I HA 0.483 4.653 4.170 0.000 0.000 0.293 408 I C -2.828 172.616 176.117 -1.122 0.000 1.446 408 I CA -1.497 59.476 61.300 -0.545 0.000 1.028 408 I CB 3.425 40.914 38.000 -0.853 0.000 1.349 408 I HN 0.415 nan 8.210 nan 0.000 0.438 409 P HA 0.195 nan 4.420 nan 0.000 0.294 409 P C 0.391 177.556 177.300 -0.226 0.000 1.294 409 P CA -0.233 62.453 63.100 -0.690 0.000 0.827 409 P CB 2.247 33.869 31.700 -0.131 0.000 0.992 410 V N 2.538 122.344 119.914 -0.179 0.000 2.343 410 V HA -0.180 3.940 4.120 0.000 0.000 0.247 410 V C 1.281 177.455 176.094 0.134 0.000 1.051 410 V CA 1.824 64.106 62.300 -0.029 0.000 1.036 410 V CB -0.868 30.929 31.823 -0.045 0.000 0.654 410 V HN 0.600 nan 8.190 nan 0.000 0.451 411 Q N -0.091 119.736 119.800 0.045 0.000 2.307 411 Q HA 0.376 4.716 4.340 0.000 0.000 0.262 411 Q C -0.075 175.823 176.000 -0.170 0.000 0.961 411 Q CA -0.129 55.657 55.803 -0.030 0.000 0.882 411 Q CB 1.877 30.611 28.738 -0.007 0.000 1.264 411 Q HN 0.351 nan 8.270 nan 0.000 0.446 412 T N 0.877 115.144 114.554 -0.479 0.000 2.882 412 T HA 0.054 4.404 4.350 0.000 0.000 0.287 412 T C 0.958 175.520 174.700 -0.230 0.000 1.014 412 T CA -0.283 61.514 62.100 -0.505 0.000 1.049 412 T CB 0.842 69.206 68.868 -0.841 0.000 1.001 412 T HN 0.512 nan 8.240 nan 0.000 0.525 413 Q N 1.035 120.738 119.800 -0.161 0.000 2.432 413 Q HA 0.043 4.383 4.340 0.000 0.000 0.205 413 Q C -0.080 175.594 176.000 -0.543 0.000 0.945 413 Q CA 0.862 56.488 55.803 -0.295 0.000 0.924 413 Q CB 0.204 28.807 28.738 -0.226 0.000 1.016 413 Q HN 0.646 nan 8.270 nan 0.000 0.503 414 H N 0.402 119.429 119.070 -0.072 0.000 2.488 414 H HA 0.213 4.769 4.556 0.000 0.000 0.237 414 H C -2.163 173.110 175.328 -0.090 0.000 1.395 414 H CA -1.777 54.224 56.048 -0.078 0.000 1.491 414 H CB 1.061 30.770 29.762 -0.088 0.000 1.567 414 H HN -0.007 nan 8.280 nan 0.000 0.508 415 P HA 0.039 nan 4.420 nan 0.000 0.232 415 P C 0.964 178.283 177.300 0.032 0.000 1.738 415 P CA -0.051 63.053 63.100 0.006 0.000 0.948 415 P CB -0.879 30.814 31.700 -0.011 0.000 1.943 416 I N -3.266 117.321 120.570 0.028 0.000 3.194 416 I HA 0.229 4.399 4.170 0.000 0.000 0.283 416 I C 0.708 176.873 176.117 0.081 0.000 1.199 416 I CA -0.746 60.566 61.300 0.019 0.000 1.328 416 I CB 0.132 38.091 38.000 -0.068 0.000 1.404 416 I HN -0.066 nan 8.210 nan 0.000 0.618 417 R N 1.717 122.263 120.500 0.076 0.000 3.405 417 R HA -0.216 4.124 4.340 0.000 0.000 0.258 417 R C 0.060 176.404 176.300 0.073 0.000 1.030 417 R CA 1.072 57.227 56.100 0.091 0.000 0.691 417 R CB -2.125 28.269 30.300 0.157 0.000 1.093 417 R HN 0.905 nan 8.270 nan 0.000 0.448 418 K N -1.421 119.011 120.400 0.052 0.000 3.035 418 K HA -0.288 4.032 4.320 0.000 0.000 0.262 418 K C 0.895 177.528 176.600 0.055 0.000 1.024 418 K CA 1.056 57.368 56.287 0.041 0.000 0.748 418 K CB -1.603 30.915 32.500 0.030 0.000 1.247 418 K HN 0.893 nan 8.250 nan 0.000 0.482 419 G N -0.307 108.540 108.800 0.078 0.000 2.176 419 G HA2 -0.350 3.610 3.960 0.000 0.000 0.253 419 G HA3 -0.350 3.610 3.960 0.000 0.000 0.253 419 G C 0.616 175.592 174.900 0.127 0.000 0.979 419 G CA 0.359 45.522 45.100 0.105 0.000 0.641 419 G HN 0.289 nan 8.290 nan 0.000 0.530 420 L N 0.376 121.668 121.223 0.114 0.000 2.042 420 L HA 0.085 4.425 4.340 0.000 0.000 0.210 420 L C 2.369 179.284 176.870 0.075 0.000 1.076 420 L CA 3.151 58.033 54.840 0.071 0.000 0.749 420 L CB -0.516 41.563 42.059 0.034 0.000 0.893 420 L HN 0.405 nan 8.230 nan 0.000 0.432 421 H N -2.327 116.777 119.070 0.058 0.000 2.387 421 H HA -0.139 4.417 4.556 0.000 0.000 0.299 421 H C 2.047 177.442 175.328 0.111 0.000 1.090 421 H CA 1.883 57.970 56.048 0.065 0.000 1.332 421 H CB -0.102 29.692 29.762 0.055 0.000 1.386 421 H HN 0.491 nan 8.280 nan 0.000 0.516 422 H N 0.398 119.547 119.070 0.131 0.000 2.403 422 H HA 0.012 4.568 4.556 0.000 0.000 0.298 422 H C 2.213 177.567 175.328 0.043 0.000 1.059 422 H CA 1.335 57.428 56.048 0.075 0.000 1.363 422 H CB 0.216 30.007 29.762 0.049 0.000 1.410 422 H HN 0.217 nan 8.280 nan 0.000 0.528 423 K N 0.293 120.710 120.400 0.029 0.000 2.032 423 K HA -0.127 4.193 4.320 0.000 0.000 0.209 423 K C 1.963 178.533 176.600 -0.050 0.000 1.048 423 K CA 1.922 58.186 56.287 -0.038 0.000 0.927 423 K CB -0.195 32.304 32.500 -0.002 0.000 0.712 423 K HN 0.315 nan 8.250 nan 0.000 0.441 424 I N 0.933 121.492 120.570 -0.019 0.000 2.252 424 I HA -0.257 3.913 4.170 0.000 0.000 0.245 424 I C 2.370 178.502 176.117 0.026 0.000 1.102 424 I CA 0.520 61.816 61.300 -0.008 0.000 1.385 424 I CB -0.254 37.731 38.000 -0.026 0.000 1.064 424 I HN 0.229 nan 8.210 nan 0.000 0.414 425 L N 0.895 122.138 121.223 0.033 0.000 2.012 425 L HA -0.206 4.135 4.340 0.000 0.000 0.210 425 L C 2.330 179.252 176.870 0.085 0.000 1.073 425 L CA 1.903 56.807 54.840 0.107 0.000 0.748 425 L CB -0.480 41.644 42.059 0.110 0.000 0.891 425 L HN 0.119 nan 8.230 nan 0.000 0.431 426 L N -0.734 120.418 121.223 -0.119 0.000 2.046 426 L HA -0.189 4.151 4.340 0.000 0.000 0.208 426 L C 2.692 179.572 176.870 0.017 0.000 1.077 426 L CA 1.226 55.992 54.840 -0.123 0.000 0.747 426 L CB -0.961 40.950 42.059 -0.247 0.000 0.896 426 L HN 0.381 nan 8.230 nan 0.000 0.432 427 A N 0.311 123.129 122.820 -0.004 0.000 1.940 427 A HA -0.260 4.060 4.320 0.000 0.000 0.219 427 A C 2.014 179.618 177.584 0.033 0.000 1.176 427 A CA 2.435 54.474 52.037 0.004 0.000 0.631 427 A CB -0.739 18.254 19.000 -0.011 0.000 0.814 427 A HN 0.483 nan 8.150 nan 0.000 0.446 428 N N -1.503 117.253 118.700 0.095 0.000 2.171 428 N HA -0.043 4.697 4.740 0.000 0.000 0.184 428 N C 1.374 176.957 175.510 0.123 0.000 1.021 428 N CA 1.322 54.458 53.050 0.144 0.000 0.854 428 N CB -0.369 38.271 38.487 0.255 0.000 0.994 428 N HN 0.523 nan 8.380 nan 0.000 0.426 429 F N 1.400 121.282 119.950 -0.112 0.000 2.091 429 F HA -0.173 4.354 4.527 0.000 0.000 0.299 429 F C 1.638 177.239 175.800 -0.332 0.000 1.103 429 F CA 1.425 59.134 58.000 -0.485 0.000 1.228 429 F CB -0.260 38.446 39.000 -0.490 0.000 0.984 429 F HN -0.016 nan 8.300 nan 0.000 0.477 430 L N -0.205 120.973 121.223 -0.076 0.000 2.072 430 L HA -0.114 4.226 4.340 0.000 0.000 0.205 430 L C 2.802 179.524 176.870 -0.246 0.000 1.079 430 L CA 1.123 55.866 54.840 -0.162 0.000 0.752 430 L CB -1.112 40.934 42.059 -0.021 0.000 0.906 430 L HN 0.251 nan 8.230 nan 0.000 0.436 431 A N -1.070 121.656 122.820 -0.157 0.000 1.968 431 A HA -0.155 4.165 4.320 0.000 0.000 0.217 431 A C 2.254 179.743 177.584 -0.159 0.000 1.169 431 A CA 0.895 52.846 52.037 -0.142 0.000 0.638 431 A CB -0.266 18.684 19.000 -0.085 0.000 0.812 431 A HN 0.345 nan 8.150 nan 0.000 0.446 432 Q N -0.115 119.597 119.800 -0.146 0.000 2.050 432 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 432 Q C 2.456 178.270 176.000 -0.310 0.000 0.980 432 Q CA 2.360 58.115 55.803 -0.079 0.000 0.840 432 Q CB -1.005 27.835 28.738 0.170 0.000 0.898 432 Q HN 0.866 nan 8.270 nan 0.000 0.424 433 T N -1.679 112.486 114.554 -0.649 0.000 2.821 433 T HA -0.147 4.203 4.350 0.000 0.000 0.267 433 T C 1.731 176.215 174.700 -0.359 0.000 1.046 433 T CA 1.366 63.078 62.100 -0.647 0.000 1.139 433 T CB -0.148 68.216 68.868 -0.840 0.000 0.871 433 T HN 0.345 nan 8.240 nan 0.000 0.454 434 E N 1.524 121.537 120.200 -0.312 0.000 2.070 434 E HA -0.178 4.172 4.350 0.000 0.000 0.197 434 E C 2.448 178.938 176.600 -0.183 0.000 1.004 434 E CA 1.327 57.581 56.400 -0.244 0.000 0.805 434 E CB -0.523 29.046 29.700 -0.218 0.000 0.744 434 E HN 0.672 nan 8.360 nan 0.000 0.451 435 A N 0.736 123.468 122.820 -0.147 0.000 1.930 435 A HA -0.124 4.197 4.320 0.000 0.000 0.217 435 A C 2.207 179.789 177.584 -0.003 0.000 1.175 435 A CA 1.044 53.022 52.037 -0.099 0.000 0.627 435 A CB -0.584 18.350 19.000 -0.109 0.000 0.815 435 A HN 0.305 nan 8.150 nan 0.000 0.443 436 L N -1.184 120.038 121.223 -0.002 0.000 2.083 436 L HA -0.191 4.149 4.340 0.000 0.000 0.209 436 L C 2.860 179.712 176.870 -0.031 0.000 1.083 436 L CA 1.436 56.253 54.840 -0.037 0.000 0.752 436 L CB -0.397 41.552 42.059 -0.183 0.000 0.899 436 L HN 0.480 nan 8.230 nan 0.000 0.433 437 M N -0.532 119.023 119.600 -0.075 0.000 2.077 437 M HA -0.161 4.319 4.480 0.000 0.000 0.261 437 M C 2.534 178.819 176.300 -0.025 0.000 1.070 437 M CA 1.778 57.047 55.300 -0.051 0.000 1.125 437 M CB -0.284 32.247 32.600 -0.116 0.000 1.339 437 M HN 0.181 nan 8.290 nan 0.000 0.409 438 R N 0.010 120.475 120.500 -0.058 0.000 2.075 438 R HA 0.109 4.450 4.340 0.000 0.000 0.226 438 R C 1.341 177.644 176.300 0.005 0.000 1.114 438 R CA 0.923 57.000 56.100 -0.039 0.000 0.972 438 R CB -0.863 29.389 30.300 -0.081 0.000 0.869 438 R HN 0.607 nan 8.270 nan 0.000 0.437 439 G N 1.495 110.301 108.800 0.010 0.000 2.645 439 G HA2 -0.317 3.643 3.960 0.000 0.000 0.239 439 G HA3 -0.317 3.643 3.960 0.000 0.000 0.239 439 G C -0.665 174.251 174.900 0.026 0.000 1.331 439 G CA 0.122 45.269 45.100 0.078 0.000 0.890 439 G HN 0.304 nan 8.290 nan 0.000 0.572 440 K N -0.232 120.243 120.400 0.125 0.000 2.619 440 K HA 0.535 4.855 4.320 0.000 0.000 0.251 440 K C 0.452 177.128 176.600 0.126 0.000 0.987 440 K CA 0.097 56.439 56.287 0.092 0.000 0.844 440 K CB 1.059 33.613 32.500 0.089 0.000 1.237 440 K HN 1.302 nan 8.250 nan 0.000 0.447 441 S N 2.082 117.826 115.700 0.074 0.000 2.600 441 S HA 0.083 4.554 4.470 0.000 0.000 0.265 441 S C 1.165 175.798 174.600 0.054 0.000 1.325 441 S CA -0.095 58.142 58.200 0.061 0.000 1.002 441 S CB 1.144 64.369 63.200 0.041 0.000 0.921 441 S HN 0.587 nan 8.310 nan 0.000 0.554 442 T N 0.921 115.498 114.554 0.038 0.000 2.665 442 T HA -0.194 4.156 4.350 0.000 0.000 0.268 442 T C 1.671 176.386 174.700 0.024 0.000 1.035 442 T CA 1.962 64.077 62.100 0.025 0.000 1.151 442 T CB -0.667 68.208 68.868 0.012 0.000 0.862 442 T HN 0.859 nan 8.240 nan 0.000 0.438 443 E N 0.870 121.083 120.200 0.022 0.000 2.058 443 E HA -0.217 4.133 4.350 0.000 0.000 0.194 443 E C 2.130 178.742 176.600 0.019 0.000 0.997 443 E CA 1.419 57.830 56.400 0.018 0.000 0.801 443 E CB -0.058 29.651 29.700 0.015 0.000 0.746 443 E HN 0.589 nan 8.360 nan 0.000 0.450 444 E N -0.034 120.180 120.200 0.023 0.000 2.077 444 E HA -0.182 4.169 4.350 0.000 0.000 0.193 444 E C 2.018 178.633 176.600 0.026 0.000 0.989 444 E CA 0.956 57.368 56.400 0.020 0.000 0.800 444 E CB -0.135 29.577 29.700 0.020 0.000 0.746 444 E HN 0.389 nan 8.360 nan 0.000 0.452 445 A N 1.390 124.235 122.820 0.041 0.000 1.877 445 A HA -0.212 4.108 4.320 0.000 0.000 0.216 445 A C 2.084 179.689 177.584 0.034 0.000 1.186 445 A CA 1.530 53.596 52.037 0.049 0.000 0.620 445 A CB -0.472 18.569 19.000 0.068 0.000 0.822 445 A HN 0.087 nan 8.150 nan 0.000 0.443 446 R N -0.027 120.489 120.500 0.026 0.000 2.094 446 R HA -0.200 4.140 4.340 0.000 0.000 0.239 446 R C 2.137 178.446 176.300 0.016 0.000 1.137 446 R CA 2.118 58.230 56.100 0.020 0.000 0.943 446 R CB -0.291 30.018 30.300 0.015 0.000 0.850 446 R HN 0.524 nan 8.270 nan 0.000 0.433 447 K N 0.061 120.470 120.400 0.014 0.000 2.103 447 K HA -0.177 4.144 4.320 0.000 0.000 0.207 447 K C 2.073 178.678 176.600 0.009 0.000 1.048 447 K CA 1.893 58.186 56.287 0.009 0.000 0.930 447 K CB -0.044 32.460 32.500 0.007 0.000 0.716 447 K HN 0.374 nan 8.250 nan 0.000 0.444 448 E N 0.534 120.742 120.200 0.012 0.000 2.072 448 E HA -0.133 4.217 4.350 0.000 0.000 0.191 448 E C 2.028 178.636 176.600 0.014 0.000 0.985 448 E CA 0.805 57.211 56.400 0.011 0.000 0.801 448 E CB 0.024 29.732 29.700 0.014 0.000 0.750 448 E HN 0.229 nan 8.360 nan 0.000 0.452 449 L N 0.748 121.982 121.223 0.019 0.000 2.056 449 L HA -0.182 4.158 4.340 0.000 0.000 0.207 449 L C 2.752 179.630 176.870 0.013 0.000 1.078 449 L CA 1.008 55.859 54.840 0.019 0.000 0.749 449 L CB -0.336 41.737 42.059 0.024 0.000 0.901 449 L HN 0.154 nan 8.230 nan 0.000 0.433 450 Q N 0.082 119.889 119.800 0.012 0.000 2.061 450 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 450 Q C 2.279 178.283 176.000 0.006 0.000 0.984 450 Q CA 1.834 57.643 55.803 0.009 0.000 0.846 450 Q CB -0.102 28.640 28.738 0.008 0.000 0.902 450 Q HN 0.554 nan 8.270 nan 0.000 0.421 451 A N 0.124 122.947 122.820 0.005 0.000 2.125 451 A HA -0.028 4.293 4.320 0.000 0.000 0.219 451 A C 1.934 179.520 177.584 0.003 0.000 1.156 451 A CA 1.390 53.429 52.037 0.003 0.000 0.671 451 A CB -0.349 18.651 19.000 0.001 0.000 0.794 451 A HN 0.438 nan 8.150 nan 0.000 0.459 452 A N -1.940 120.883 122.820 0.005 0.000 2.251 452 A HA 0.434 4.754 4.320 0.000 0.000 0.209 452 A C 1.688 179.275 177.584 0.005 0.000 1.187 452 A CA 1.088 53.128 52.037 0.005 0.000 0.823 452 A CB -0.695 18.310 19.000 0.007 0.000 0.846 452 A HN 1.798 nan 8.150 nan 0.000 0.486 453 G N -0.541 108.262 108.800 0.005 0.000 2.132 453 G HA2 -0.208 3.752 3.960 0.000 0.000 0.234 453 G HA3 -0.208 3.752 3.960 0.000 0.000 0.234 453 G C 0.075 174.978 174.900 0.006 0.000 0.989 453 G CA 0.182 45.285 45.100 0.004 0.000 0.676 453 G HN 0.366 nan 8.290 nan 0.000 0.522 454 K N 1.546 121.951 120.400 0.008 0.000 2.350 454 K HA 0.405 4.725 4.320 0.000 0.000 0.279 454 K C 1.287 177.892 176.600 0.009 0.000 1.027 454 K CA 0.433 56.726 56.287 0.009 0.000 0.969 454 K CB 1.101 33.609 32.500 0.013 0.000 0.954 454 K HN 0.605 nan 8.250 nan 0.000 0.474 455 S N 2.592 118.297 115.700 0.008 0.000 2.580 455 S HA 0.075 4.545 4.470 0.000 0.000 0.266 455 S C -1.748 172.858 174.600 0.010 0.000 1.354 455 S CA -1.040 57.165 58.200 0.008 0.000 1.008 455 S CB 0.376 63.581 63.200 0.007 0.000 0.898 455 S HN 0.319 nan 8.310 nan 0.000 0.555 456 P HA -0.162 nan 4.420 nan 0.000 0.217 456 P C 1.244 178.551 177.300 0.011 0.000 1.148 456 P CA 1.616 64.722 63.100 0.009 0.000 0.828 456 P CB -0.099 31.606 31.700 0.007 0.000 0.783 457 E N -1.125 119.081 120.200 0.011 0.000 2.158 457 E HA -0.127 4.223 4.350 0.000 0.000 0.191 457 E C 1.350 177.960 176.600 0.016 0.000 0.982 457 E CA 0.783 57.191 56.400 0.013 0.000 0.823 457 E CB -0.878 28.829 29.700 0.010 0.000 0.766 457 E HN 0.110 nan 8.360 nan 0.000 0.468 458 D N 1.249 121.658 120.400 0.015 0.000 2.097 458 D HA -0.127 4.514 4.640 0.000 0.000 0.197 458 D C 1.963 178.278 176.300 0.025 0.000 0.984 458 D CA 0.803 54.813 54.000 0.017 0.000 0.826 458 D CB -0.167 40.641 40.800 0.013 0.000 0.973 458 D HN 0.168 nan 8.370 nan 0.000 0.460 459 L N 0.646 121.882 121.223 0.022 0.000 2.056 459 L HA -0.142 4.199 4.340 0.000 0.000 0.207 459 L C 2.182 179.069 176.870 0.029 0.000 1.078 459 L CA 1.569 56.424 54.840 0.025 0.000 0.749 459 L CB -0.161 41.909 42.059 0.019 0.000 0.901 459 L HN 0.019 nan 8.230 nan 0.000 0.433 460 E N -0.134 120.081 120.200 0.024 0.000 2.077 460 E HA -0.270 4.080 4.350 0.000 0.000 0.193 460 E C 2.271 178.893 176.600 0.036 0.000 0.989 460 E CA 1.155 57.568 56.400 0.022 0.000 0.800 460 E CB -0.019 29.691 29.700 0.017 0.000 0.746 460 E HN 0.480 nan 8.360 nan 0.000 0.452 461 R N -0.342 120.187 120.500 0.049 0.000 2.115 461 R HA -0.060 4.280 4.340 0.000 0.000 0.226 461 R C 2.244 178.640 176.300 0.159 0.000 1.100 461 R CA 0.658 56.807 56.100 0.082 0.000 0.980 461 R CB -0.054 30.282 30.300 0.060 0.000 0.875 461 R HN 0.208 nan 8.270 nan 0.000 0.445 462 L N 0.436 121.734 121.223 0.125 0.000 2.202 462 L HA 0.009 4.349 4.340 0.000 0.000 0.205 462 L C 1.847 178.808 176.870 0.151 0.000 1.083 462 L CA 1.063 56.001 54.840 0.164 0.000 0.790 462 L CB -0.625 41.481 42.059 0.079 0.000 0.942 462 L HN 0.071 nan 8.230 nan 0.000 0.452 463 L N 1.502 122.768 121.223 0.071 0.000 2.011 463 L HA -0.189 4.151 4.340 0.000 0.000 0.225 463 L C -0.614 176.247 176.870 -0.015 0.000 1.084 463 L CA 2.677 57.535 54.840 0.030 0.000 0.791 463 L CB -2.024 40.043 42.059 0.013 0.000 0.898 463 L HN 0.231 nan 8.230 nan 0.000 0.440 464 P HA -0.170 nan 4.420 nan 0.000 0.220 464 P C 1.241 178.389 177.300 -0.252 0.000 1.148 464 P CA 1.668 64.655 63.100 -0.189 0.000 0.803 464 P CB -0.529 31.015 31.700 -0.260 0.000 0.782 465 H N 0.013 119.057 119.070 -0.043 0.000 2.521 465 H HA 0.061 4.617 4.556 0.000 0.000 0.286 465 H C 1.383 176.644 175.328 -0.112 0.000 1.034 465 H CA 0.880 56.884 56.048 -0.072 0.000 1.278 465 H CB 0.026 29.760 29.762 -0.047 0.000 1.386 465 H HN 0.222 nan 8.280 nan 0.000 0.567 466 K N 0.988 121.399 120.400 0.019 0.000 2.372 466 K HA 0.168 4.488 4.320 0.000 0.000 0.200 466 K C 0.130 176.754 176.600 0.041 0.000 1.022 466 K CA -0.028 56.283 56.287 0.040 0.000 1.125 466 K CB 1.094 33.651 32.500 0.096 0.000 0.855 466 K HN -0.037 nan 8.250 nan 0.000 0.524 467 V N 1.917 121.795 119.914 -0.060 0.000 2.465 467 V HA 0.255 4.375 4.120 0.000 0.000 0.279 467 V C -0.399 175.640 176.094 -0.093 0.000 1.045 467 V CA -0.435 61.870 62.300 0.008 0.000 0.938 467 V CB 0.580 32.399 31.823 -0.007 0.000 0.986 467 V HN -0.010 nan 8.190 nan 0.000 0.467 468 F N 2.882 122.844 119.950 0.020 0.000 2.427 468 F HA 0.409 4.936 4.527 0.000 0.000 0.348 468 F C 1.323 177.147 175.800 0.041 0.000 1.125 468 F CA -0.506 57.519 58.000 0.040 0.000 0.989 468 F CB 1.555 40.579 39.000 0.041 0.000 1.165 468 F HN 0.566 nan 8.300 nan 0.000 0.442 469 E N 2.351 122.654 120.200 0.173 0.000 2.204 469 E HA 0.056 4.406 4.350 0.000 0.000 0.194 469 E C 1.590 178.271 176.600 0.135 0.000 0.989 469 E CA 0.658 57.131 56.400 0.122 0.000 0.824 469 E CB -0.011 29.737 29.700 0.080 0.000 0.756 469 E HN 0.952 nan 8.360 nan 0.000 0.477 470 G N 1.681 110.587 108.800 0.176 0.000 2.569 470 G HA2 -0.422 3.538 3.960 0.000 0.000 0.259 470 G HA3 -0.422 3.538 3.960 0.000 0.000 0.259 470 G C 0.168 175.123 174.900 0.091 0.000 1.263 470 G CA 0.048 45.227 45.100 0.132 0.000 0.928 470 G HN 0.326 nan 8.290 nan 0.000 0.572 471 N N -1.335 117.408 118.700 0.072 0.000 2.747 471 N HA -0.180 4.561 4.740 0.000 0.000 0.249 471 N C 0.211 175.748 175.510 0.044 0.000 1.107 471 N CA 1.870 54.965 53.050 0.075 0.000 0.707 471 N CB -0.628 37.916 38.487 0.096 0.000 1.054 471 N HN 0.853 nan 8.380 nan 0.000 0.555 472 R N 0.700 121.208 120.500 0.013 0.000 2.207 472 R HA 0.398 4.738 4.340 0.000 0.000 0.334 472 R C -2.170 174.098 176.300 -0.054 0.000 1.013 472 R CA -1.464 54.612 56.100 -0.039 0.000 0.858 472 R CB 1.080 31.346 30.300 -0.058 0.000 1.094 472 R HN 0.165 nan 8.270 nan 0.000 0.457 473 P HA 0.156 nan 4.420 nan 0.000 0.284 473 P C -0.878 176.404 177.300 -0.031 0.000 1.253 473 P CA -0.384 62.701 63.100 -0.025 0.000 0.800 473 P CB 1.732 33.423 31.700 -0.015 0.000 0.961 474 T N -0.828 113.752 114.554 0.042 0.000 2.883 474 T HA 0.501 4.851 4.350 0.000 0.000 0.301 474 T C -0.645 174.154 174.700 0.164 0.000 1.158 474 T CA -0.946 61.202 62.100 0.081 0.000 1.007 474 T CB 1.020 69.863 68.868 -0.041 0.000 1.186 474 T HN 0.291 nan 8.240 nan 0.000 0.499 475 N N 0.057 118.895 118.700 0.231 0.000 2.361 475 N HA 0.631 5.371 4.740 0.000 0.000 0.302 475 N C -1.099 174.569 175.510 0.263 0.000 1.074 475 N CA -0.866 52.350 53.050 0.276 0.000 0.850 475 N CB 1.814 40.496 38.487 0.324 0.000 1.228 475 N HN 0.550 nan 8.380 nan 0.000 0.491 476 S N 1.431 117.285 115.700 0.257 0.000 2.478 476 S HA 0.482 4.953 4.470 0.000 0.000 0.312 476 S C -0.517 174.321 174.600 0.396 0.000 1.094 476 S CA -0.549 57.843 58.200 0.321 0.000 1.081 476 S CB 0.452 63.792 63.200 0.233 0.000 1.007 476 S HN 0.352 nan 8.310 nan 0.000 0.475 477 I N 3.740 124.589 120.570 0.465 0.000 2.390 477 I HA 0.384 4.554 4.170 0.000 0.000 0.283 477 I C -0.933 175.397 176.117 0.355 0.000 1.016 477 I CA -0.626 60.922 61.300 0.413 0.000 1.151 477 I CB 1.303 39.569 38.000 0.444 0.000 1.293 477 I HN 0.236 nan 8.210 nan 0.000 0.458 478 V N 7.179 127.241 119.914 0.246 0.000 2.495 478 V HA 0.553 4.673 4.120 0.000 0.000 0.298 478 V C -0.467 175.688 176.094 0.102 0.000 1.031 478 V CA -0.649 61.645 62.300 -0.010 0.000 0.871 478 V CB 1.485 33.291 31.823 -0.028 0.000 0.988 478 V HN 0.529 nan 8.190 nan 0.000 0.432 479 F N 0.374 120.355 119.950 0.052 0.000 2.599 479 F HA 0.631 5.158 4.527 0.000 0.000 0.311 479 F C 1.096 176.929 175.800 0.056 0.000 1.076 479 F CA -0.817 57.223 58.000 0.067 0.000 0.937 479 F CB 1.156 40.196 39.000 0.067 0.000 1.282 479 F HN 0.277 nan 8.300 nan 0.000 0.460 480 T N -0.477 114.228 114.554 0.252 0.000 2.652 480 T HA -0.116 4.234 4.350 0.000 0.000 0.267 480 T C 0.254 175.039 174.700 0.142 0.000 1.039 480 T CA 1.762 63.949 62.100 0.145 0.000 1.153 480 T CB -0.193 68.764 68.868 0.150 0.000 0.863 480 T HN 0.622 nan 8.240 nan 0.000 0.428 481 K N -0.241 120.312 120.400 0.254 0.000 2.562 481 K HA 0.390 4.711 4.320 0.000 0.000 0.267 481 K C -2.080 174.724 176.600 0.341 0.000 0.938 481 K CA -0.763 55.661 56.287 0.229 0.000 0.840 481 K CB 1.441 34.023 32.500 0.137 0.000 1.390 481 K HN -0.084 nan 8.250 nan 0.000 0.428 482 L N 4.180 125.604 121.223 0.334 0.000 2.399 482 L HA 0.240 4.580 4.340 0.000 0.000 0.257 482 L C -0.336 176.644 176.870 0.183 0.000 1.236 482 L CA 0.322 55.327 54.840 0.275 0.000 1.144 482 L CB -0.207 42.043 42.059 0.319 0.000 1.379 482 L HN 0.696 nan 8.230 nan 0.000 0.414 483 T N 0.664 115.289 114.554 0.118 0.000 2.881 483 T HA 0.449 4.799 4.350 0.000 0.000 0.278 483 T C -1.763 172.858 174.700 -0.131 0.000 0.982 483 T CA -1.734 60.367 62.100 0.001 0.000 0.989 483 T CB 0.897 69.779 68.868 0.024 0.000 1.058 483 T HN 0.180 nan 8.240 nan 0.000 0.529 484 P HA -0.029 nan 4.420 nan 0.000 0.216 484 P C 1.221 178.452 177.300 -0.115 0.000 1.150 484 P CA 0.709 63.655 63.100 -0.256 0.000 0.837 484 P CB -0.122 31.366 31.700 -0.354 0.000 0.786 485 F N -0.304 119.520 119.950 -0.210 0.000 2.075 485 F HA -0.214 4.313 4.527 0.000 0.000 0.297 485 F C 2.275 177.998 175.800 -0.128 0.000 1.113 485 F CA 1.599 59.493 58.000 -0.176 0.000 1.218 485 F CB -0.587 38.270 39.000 -0.239 0.000 0.984 485 F HN -0.211 nan 8.300 nan 0.000 0.472 486 M N 0.216 119.909 119.600 0.154 0.000 2.159 486 M HA -0.134 4.346 4.480 0.000 0.000 0.263 486 M C 1.945 178.148 176.300 -0.163 0.000 1.063 486 M CA 1.511 56.815 55.300 0.008 0.000 1.110 486 M CB -0.837 31.770 32.600 0.012 0.000 1.374 486 M HN 0.343 nan 8.290 nan 0.000 0.411 487 L N -0.094 121.044 121.223 -0.141 0.000 2.046 487 L HA 0.030 4.371 4.340 0.000 0.000 0.208 487 L C 2.183 179.039 176.870 -0.025 0.000 1.077 487 L CA 2.332 57.097 54.840 -0.125 0.000 0.747 487 L CB -1.529 40.465 42.059 -0.108 0.000 0.896 487 L HN 0.386 nan 8.230 nan 0.000 0.432 488 G N -1.022 107.752 108.800 -0.044 0.000 2.446 488 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 488 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 488 G C 1.604 176.533 174.900 0.048 0.000 1.168 488 G CA 0.891 46.050 45.100 0.098 0.000 0.771 488 G HN 0.654 nan 8.290 nan 0.000 0.551 489 A N 0.367 123.108 122.820 -0.132 0.000 1.933 489 A HA 0.121 4.441 4.320 0.000 0.000 0.218 489 A C 2.437 180.060 177.584 0.065 0.000 1.175 489 A CA 1.275 53.282 52.037 -0.050 0.000 0.628 489 A CB -0.335 18.598 19.000 -0.111 0.000 0.814 489 A HN 0.367 nan 8.150 nan 0.000 0.444 490 L N -0.757 120.498 121.223 0.052 0.000 2.109 490 L HA -0.099 4.241 4.340 0.000 0.000 0.207 490 L C 2.450 179.585 176.870 0.441 0.000 1.086 490 L CA 0.707 55.648 54.840 0.168 0.000 0.760 490 L CB -0.422 41.639 42.059 0.003 0.000 0.910 490 L HN 0.229 nan 8.230 nan 0.000 0.437 491 V N 0.096 120.295 119.914 0.474 0.000 2.358 491 V HA -0.229 3.891 4.120 0.000 0.000 0.246 491 V C 2.757 179.211 176.094 0.599 0.000 1.047 491 V CA 1.689 64.406 62.300 0.695 0.000 1.035 491 V CB -0.848 31.294 31.823 0.532 0.000 0.658 491 V HN 0.451 nan 8.190 nan 0.000 0.452 492 A N -0.429 122.608 122.820 0.361 0.000 1.933 492 A HA -0.268 4.052 4.320 0.000 0.000 0.218 492 A C 2.280 179.866 177.584 0.004 0.000 1.175 492 A CA 2.315 54.399 52.037 0.078 0.000 0.628 492 A CB -0.525 18.442 19.000 -0.055 0.000 0.814 492 A HN 0.523 nan 8.150 nan 0.000 0.444 493 M N -1.943 117.724 119.600 0.111 0.000 2.117 493 M HA -0.169 4.311 4.480 0.000 0.000 0.262 493 M C 1.873 178.120 176.300 -0.089 0.000 1.065 493 M CA 1.818 57.129 55.300 0.018 0.000 1.114 493 M CB -0.196 32.402 32.600 -0.004 0.000 1.361 493 M HN 0.507 nan 8.290 nan 0.000 0.408 494 Y N 0.546 120.815 120.300 -0.052 0.000 2.337 494 Y HA -0.102 4.448 4.550 0.000 0.000 0.293 494 Y C 2.217 178.042 175.900 -0.124 0.000 1.123 494 Y CA 1.327 59.263 58.100 -0.273 0.000 1.201 494 Y CB -0.227 37.640 38.460 -0.987 0.000 1.011 494 Y HN 0.335 nan 8.280 nan 0.000 0.545 495 E N -0.562 119.767 120.200 0.214 0.000 2.049 495 E HA -0.249 4.101 4.350 0.000 0.000 0.198 495 E C 1.809 178.501 176.600 0.152 0.000 1.007 495 E CA 1.583 58.147 56.400 0.273 0.000 0.809 495 E CB -0.206 29.616 29.700 0.204 0.000 0.749 495 E HN 0.569 nan 8.360 nan 0.000 0.450 496 H N 0.396 119.486 119.070 0.034 0.000 2.457 496 H HA -0.032 4.524 4.556 0.000 0.000 0.294 496 H C 1.980 177.211 175.328 -0.161 0.000 1.064 496 H CA 0.951 56.847 56.048 -0.252 0.000 1.330 496 H CB -0.127 29.050 29.762 -0.974 0.000 1.395 496 H HN 0.122 nan 8.280 nan 0.000 0.541 497 K N 1.119 121.497 120.400 -0.036 0.000 2.032 497 K HA -0.133 4.187 4.320 0.000 0.000 0.209 497 K C 2.112 178.717 176.600 0.008 0.000 1.048 497 K CA 1.390 57.642 56.287 -0.058 0.000 0.927 497 K CB -0.177 32.240 32.500 -0.139 0.000 0.712 497 K HN 0.151 nan 8.250 nan 0.000 0.441 498 I N 0.623 121.242 120.570 0.082 0.000 2.226 498 I HA -0.267 3.903 4.170 0.000 0.000 0.245 498 I C 2.318 178.508 176.117 0.122 0.000 1.100 498 I CA 1.145 62.507 61.300 0.103 0.000 1.374 498 I CB -0.347 37.758 38.000 0.174 0.000 1.057 498 I HN 0.190 nan 8.210 nan 0.000 0.413 499 F N 1.353 121.365 119.950 0.104 0.000 2.065 499 F HA -0.272 4.255 4.527 0.000 0.000 0.298 499 F C 2.366 178.230 175.800 0.107 0.000 1.112 499 F CA 1.902 60.010 58.000 0.180 0.000 1.212 499 F CB -0.567 38.650 39.000 0.361 0.000 0.975 499 F HN -0.212 nan 8.300 nan 0.000 0.476 500 V N 0.630 120.565 119.914 0.036 0.000 2.295 500 V HA -0.350 3.770 4.120 0.000 0.000 0.246 500 V C 2.381 178.296 176.094 -0.298 0.000 1.049 500 V CA 2.390 64.618 62.300 -0.120 0.000 1.024 500 V CB -0.904 30.936 31.823 0.029 0.000 0.648 500 V HN 0.443 nan 8.190 nan 0.000 0.447 501 Q N -0.039 119.556 119.800 -0.342 0.000 2.061 501 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 501 Q C 2.414 178.044 176.000 -0.617 0.000 0.984 501 Q CA 1.776 57.151 55.803 -0.714 0.000 0.846 501 Q CB -0.664 27.592 28.738 -0.803 0.000 0.902 501 Q HN 0.722 nan 8.270 nan 0.000 0.421 502 G N 1.343 110.002 108.800 -0.235 0.000 2.469 502 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 502 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 502 G C 1.374 176.228 174.900 -0.076 0.000 1.150 502 G CA 0.799 45.887 45.100 -0.020 0.000 0.763 502 G HN 0.169 nan 8.290 nan 0.000 0.561 503 I N 1.068 121.476 120.570 -0.270 0.000 2.252 503 I HA -0.064 4.106 4.170 0.000 0.000 0.245 503 I C 2.824 178.846 176.117 -0.158 0.000 1.102 503 I CA 0.687 61.851 61.300 -0.226 0.000 1.385 503 I CB -1.044 36.740 38.000 -0.360 0.000 1.064 503 I HN 0.192 nan 8.210 nan 0.000 0.414 504 I N -0.717 119.696 120.570 -0.262 0.000 2.286 504 I HA -0.288 3.882 4.170 0.000 0.000 0.248 504 I C 2.201 178.214 176.117 -0.173 0.000 1.115 504 I CA 1.204 62.342 61.300 -0.270 0.000 1.392 504 I CB -0.352 37.399 38.000 -0.415 0.000 1.065 504 I HN 0.326 nan 8.210 nan 0.000 0.418 505 W N 0.560 121.809 121.300 -0.085 0.000 3.047 505 W HA -0.006 4.655 4.660 0.000 0.000 0.250 505 W C 0.661 177.207 176.519 0.044 0.000 1.314 505 W CA 0.359 57.685 57.345 -0.030 0.000 1.540 505 W CB -1.053 28.461 29.460 0.089 0.000 1.127 505 W HN 0.261 nan 8.180 nan 0.000 0.679 506 D N 0.338 120.855 120.400 0.195 0.000 2.746 506 D HA -0.207 4.433 4.640 0.000 0.000 0.236 506 D C -0.236 176.194 176.300 0.217 0.000 1.129 506 D CA 0.881 54.973 54.000 0.153 0.000 0.691 506 D CB -1.345 39.520 40.800 0.108 0.000 1.077 506 D HN 0.248 nan 8.370 nan 0.000 0.432 507 I N -3.865 116.857 120.570 0.254 0.000 3.133 507 I HA 0.578 4.749 4.170 0.000 0.000 0.311 507 I C 0.318 176.590 176.117 0.258 0.000 1.072 507 I CA -1.172 60.283 61.300 0.257 0.000 1.015 507 I CB 1.388 39.522 38.000 0.223 0.000 1.233 507 I HN -0.128 nan 8.210 nan 0.000 0.473 508 N N 1.465 120.274 118.700 0.182 0.000 2.500 508 N HA 0.255 4.995 4.740 0.000 0.000 0.236 508 N C 0.047 175.569 175.510 0.020 0.000 1.022 508 N CA -0.167 52.924 53.050 0.067 0.000 0.935 508 N CB 0.832 39.169 38.487 -0.250 0.000 1.147 508 N HN 0.656 nan 8.380 nan 0.000 0.512 509 S N 2.379 118.017 115.700 -0.104 0.000 2.603 509 S HA 0.055 4.526 4.470 0.000 0.000 0.229 509 S C 0.496 174.774 174.600 -0.538 0.000 0.972 509 S CA 0.419 58.381 58.200 -0.396 0.000 0.935 509 S CB -0.261 62.513 63.200 -0.710 0.000 0.769 509 S HN 0.600 nan 8.310 nan 0.000 0.536 510 F N 1.106 121.134 119.950 0.130 0.000 2.706 510 F HA 0.272 4.799 4.527 0.000 0.000 0.313 510 F C 0.475 176.297 175.800 0.037 0.000 1.096 510 F CA -0.951 57.129 58.000 0.134 0.000 1.219 510 F CB 0.345 39.422 39.000 0.128 0.000 1.051 510 F HN 0.082 nan 8.300 nan 0.000 0.568 511 D N 0.011 120.454 120.400 0.072 0.000 2.384 511 D HA 0.317 4.958 4.640 0.000 0.000 0.250 511 D C -0.177 176.029 176.300 -0.157 0.000 1.029 511 D CA -0.644 53.283 54.000 -0.123 0.000 0.990 511 D CB 0.881 41.588 40.800 -0.156 0.000 1.175 511 D HN 0.081 nan 8.370 nan 0.000 0.532 512 Q N 0.105 119.692 119.800 -0.354 0.000 3.449 512 Q HA 0.119 4.459 4.340 0.000 0.000 0.272 512 Q C -0.709 175.164 176.000 -0.212 0.000 0.787 512 Q CA -0.604 55.083 55.803 -0.193 0.000 0.904 512 Q CB -1.147 27.515 28.738 -0.126 0.000 1.536 512 Q HN 0.736 nan 8.270 nan 0.000 0.387 513 W N 0.974 122.300 121.300 0.042 0.000 2.525 513 W HA 0.062 4.722 4.660 0.000 0.000 0.259 513 W C 1.989 178.533 176.519 0.043 0.000 1.253 513 W CA 1.111 58.481 57.345 0.042 0.000 1.262 513 W CB 0.164 29.650 29.460 0.043 0.000 1.122 513 W HN 0.623 nan 8.180 nan 0.000 0.607 514 G N 0.534 109.459 108.800 0.208 0.000 2.498 514 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 514 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 514 G C 1.449 176.403 174.900 0.090 0.000 1.119 514 G CA 1.380 46.565 45.100 0.140 0.000 0.766 514 G HN 0.320 nan 8.290 nan 0.000 0.552 515 V N -1.772 118.182 119.914 0.067 0.000 2.719 515 V HA 0.083 4.203 4.120 0.000 0.000 0.252 515 V C 2.104 178.237 176.094 0.065 0.000 1.065 515 V CA 1.960 64.286 62.300 0.042 0.000 1.086 515 V CB -0.195 31.633 31.823 0.007 0.000 0.700 515 V HN 0.423 nan 8.190 nan 0.000 0.467 516 E N 0.265 120.532 120.200 0.112 0.000 2.033 516 E HA -0.294 4.056 4.350 0.000 0.000 0.199 516 E C 2.116 178.771 176.600 0.092 0.000 1.011 516 E CA 2.125 58.600 56.400 0.126 0.000 0.815 516 E CB -0.283 29.544 29.700 0.212 0.000 0.755 516 E HN 0.545 nan 8.360 nan 0.000 0.451 517 L N 0.690 121.967 121.223 0.090 0.000 2.021 517 L HA -0.164 4.176 4.340 0.000 0.000 0.215 517 L C 2.207 179.108 176.870 0.052 0.000 1.074 517 L CA 2.602 57.481 54.840 0.066 0.000 0.760 517 L CB -1.170 40.923 42.059 0.058 0.000 0.889 517 L HN 0.278 nan 8.230 nan 0.000 0.433 518 G N -1.099 107.727 108.800 0.044 0.000 2.421 518 G HA2 -0.269 3.692 3.960 0.000 0.000 0.216 518 G HA3 -0.269 3.692 3.960 0.000 0.000 0.216 518 G C 1.668 176.588 174.900 0.033 0.000 1.171 518 G CA 0.848 45.967 45.100 0.032 0.000 0.775 518 G HN 0.424 nan 8.290 nan 0.000 0.543 519 K N 0.186 120.608 120.400 0.037 0.000 2.020 519 K HA -0.179 4.141 4.320 0.000 0.000 0.212 519 K C 2.753 179.378 176.600 0.041 0.000 1.050 519 K CA 1.688 57.996 56.287 0.036 0.000 0.929 519 K CB -0.311 32.213 32.500 0.039 0.000 0.714 519 K HN 0.409 nan 8.250 nan 0.000 0.443 520 Q N 0.654 120.484 119.800 0.050 0.000 2.014 520 Q HA -0.176 4.164 4.340 0.000 0.000 0.207 520 Q C 2.257 178.288 176.000 0.052 0.000 0.993 520 Q CA 1.543 57.376 55.803 0.050 0.000 0.850 520 Q CB -0.309 28.462 28.738 0.053 0.000 0.916 520 Q HN 0.342 nan 8.270 nan 0.000 0.417 521 L N -0.055 121.200 121.223 0.054 0.000 2.265 521 L HA -0.135 4.205 4.340 0.000 0.000 0.215 521 L C 2.373 179.278 176.870 0.059 0.000 1.117 521 L CA 0.734 55.614 54.840 0.067 0.000 0.782 521 L CB -0.594 41.503 42.059 0.065 0.000 0.914 521 L HN 0.229 nan 8.230 nan 0.000 0.441 522 A N -0.365 122.479 122.820 0.039 0.000 1.930 522 A HA -0.095 4.225 4.320 0.000 0.000 0.215 522 A C 2.266 179.870 177.584 0.034 0.000 1.176 522 A CA 0.795 52.849 52.037 0.027 0.000 0.632 522 A CB -0.119 18.892 19.000 0.018 0.000 0.819 522 A HN 0.111 nan 8.150 nan 0.000 0.445 523 K N 0.649 121.072 120.400 0.037 0.000 2.063 523 K HA -0.103 4.217 4.320 0.000 0.000 0.208 523 K C 1.785 178.414 176.600 0.047 0.000 1.048 523 K CA 1.199 57.509 56.287 0.037 0.000 0.928 523 K CB -0.312 32.209 32.500 0.036 0.000 0.713 523 K HN 0.304 nan 8.250 nan 0.000 0.442 524 K N 0.746 121.184 120.400 0.064 0.000 2.057 524 K HA -0.023 4.297 4.320 0.000 0.000 0.207 524 K C 2.292 178.954 176.600 0.104 0.000 1.049 524 K CA 1.034 57.372 56.287 0.086 0.000 0.931 524 K CB -0.342 32.231 32.500 0.121 0.000 0.714 524 K HN 0.213 nan 8.250 nan 0.000 0.440 525 I N 0.898 121.522 120.570 0.091 0.000 2.500 525 I HA -0.188 3.982 4.170 0.000 0.000 0.252 525 I C 2.129 178.269 176.117 0.038 0.000 1.142 525 I CA 0.665 62.001 61.300 0.060 0.000 1.451 525 I CB -0.224 37.766 38.000 -0.017 0.000 1.093 525 I HN 0.230 nan 8.210 nan 0.000 0.430 526 E N 1.437 121.656 120.200 0.032 0.000 2.072 526 E HA -0.264 4.086 4.350 0.000 0.000 0.218 526 E C -0.540 176.076 176.600 0.026 0.000 1.051 526 E CA 2.202 58.616 56.400 0.024 0.000 0.880 526 E CB -1.405 28.309 29.700 0.023 0.000 0.783 526 E HN 0.417 nan 8.360 nan 0.000 0.473 527 P HA -0.181 nan 4.420 nan 0.000 0.218 527 P C 0.564 177.884 177.300 0.033 0.000 1.148 527 P CA 1.530 64.648 63.100 0.029 0.000 0.822 527 P CB -0.122 31.596 31.700 0.031 0.000 0.784 528 E N -0.323 119.905 120.200 0.047 0.000 2.409 528 E HA -0.037 4.313 4.350 0.000 0.000 0.198 528 E C 2.056 178.675 176.600 0.033 0.000 1.024 528 E CA 0.358 56.789 56.400 0.051 0.000 0.861 528 E CB -0.487 29.268 29.700 0.091 0.000 0.788 528 E HN 0.325 nan 8.360 nan 0.000 0.521 529 L N 1.071 122.307 121.223 0.022 0.000 2.240 529 L HA -0.025 4.315 4.340 0.000 0.000 0.211 529 L C 0.494 177.370 176.870 0.010 0.000 1.106 529 L CA 0.221 55.069 54.840 0.012 0.000 0.793 529 L CB -0.147 41.916 42.059 0.008 0.000 0.927 529 L HN 0.024 nan 8.230 nan 0.000 0.446 530 D N 0.825 121.232 120.400 0.012 0.000 2.414 530 D HA 0.362 5.002 4.640 0.000 0.000 0.242 530 D C 0.741 177.046 176.300 0.008 0.000 1.129 530 D CA 1.163 55.168 54.000 0.009 0.000 0.885 530 D CB 0.795 41.601 40.800 0.010 0.000 1.198 530 D HN 0.240 nan 8.370 nan 0.000 0.437 531 G N 1.006 109.808 108.800 0.004 0.000 2.828 531 G HA2 -0.164 3.796 3.960 0.000 0.000 0.463 531 G HA3 -0.164 3.796 3.960 0.000 0.000 0.463 531 G C 0.393 175.293 174.900 0.001 0.000 1.394 531 G CA 0.077 45.178 45.100 0.003 0.000 0.862 531 G HN 0.754 nan 8.290 nan 0.000 0.540 532 S N -0.709 114.991 115.700 -0.000 0.000 2.602 532 S HA 0.683 5.153 4.470 0.000 0.000 0.240 532 S C 0.966 175.567 174.600 0.002 0.000 0.992 532 S CA 1.148 59.346 58.200 -0.003 0.000 0.971 532 S CB 0.520 63.715 63.200 -0.008 0.000 0.855 532 S HN 2.237 nan 8.310 nan 0.000 0.481 533 A N 2.052 124.876 122.820 0.007 0.000 2.371 533 A HA 0.496 4.817 4.320 0.000 0.000 0.257 533 A C 0.475 178.070 177.584 0.017 0.000 1.089 533 A CA -0.470 51.574 52.037 0.012 0.000 0.794 533 A CB 0.259 19.267 19.000 0.014 0.000 1.029 533 A HN 0.474 nan 8.150 nan 0.000 0.488 534 Q N 0.332 120.144 119.800 0.020 0.000 2.392 534 Q HA 0.316 4.656 4.340 0.000 0.000 0.262 534 Q C -0.454 175.568 176.000 0.037 0.000 1.003 534 Q CA 0.011 55.831 55.803 0.027 0.000 0.888 534 Q CB 1.091 29.845 28.738 0.026 0.000 1.260 534 Q HN 0.437 nan 8.270 nan 0.000 0.435 535 V N 1.505 121.449 119.914 0.050 0.000 2.581 535 V HA 0.384 4.505 4.120 0.000 0.000 0.303 535 V C 0.733 176.875 176.094 0.079 0.000 1.041 535 V CA -0.132 62.212 62.300 0.074 0.000 0.907 535 V CB 1.737 33.619 31.823 0.098 0.000 0.994 535 V HN 1.051 nan 8.190 nan 0.000 0.442 536 T N -2.388 112.214 114.554 0.079 0.000 3.253 536 T HA 0.015 4.365 4.350 0.000 0.000 0.299 536 T C 1.203 175.934 174.700 0.052 0.000 0.927 536 T CA 0.447 62.585 62.100 0.062 0.000 0.926 536 T CB 0.102 68.991 68.868 0.035 0.000 1.183 536 T HN 0.641 nan 8.240 nan 0.000 0.557 537 S N 0.397 116.130 115.700 0.056 0.000 2.527 537 S HA 0.147 4.617 4.470 0.000 0.000 0.222 537 S C 0.741 175.230 174.600 -0.185 0.000 0.985 537 S CA -0.264 57.890 58.200 -0.077 0.000 0.921 537 S CB -0.543 62.567 63.200 -0.149 0.000 0.772 537 S HN 0.710 nan 8.310 nan 0.000 0.529 538 H N 1.665 120.741 119.070 0.009 0.000 2.850 538 H HA 0.325 4.881 4.556 0.000 0.000 0.297 538 H C -0.289 175.043 175.328 0.006 0.000 1.508 538 H CA -0.474 55.578 56.048 0.008 0.000 1.513 538 H CB 0.240 30.007 29.762 0.009 0.000 1.803 538 H HN 0.428 nan 8.280 nan 0.000 0.830 539 D N -0.254 120.240 120.400 0.157 0.000 2.361 539 D HA 0.033 4.673 4.640 0.000 0.000 0.239 539 D C 0.867 177.207 176.300 0.067 0.000 1.200 539 D CA -0.028 54.018 54.000 0.078 0.000 0.915 539 D CB 1.233 42.067 40.800 0.056 0.000 1.170 539 D HN 0.535 nan 8.370 nan 0.000 0.444 540 A N 1.533 124.376 122.820 0.039 0.000 1.940 540 A HA -0.211 4.109 4.320 0.000 0.000 0.219 540 A C 2.344 179.939 177.584 0.019 0.000 1.176 540 A CA 2.194 54.248 52.037 0.029 0.000 0.631 540 A CB -0.851 18.160 19.000 0.018 0.000 0.814 540 A HN 0.670 nan 8.150 nan 0.000 0.446 541 S N -0.982 114.723 115.700 0.008 0.000 2.345 541 S HA -0.152 4.318 4.470 0.000 0.000 0.220 541 S C 2.061 176.652 174.600 -0.014 0.000 1.031 541 S CA 2.249 60.444 58.200 -0.009 0.000 0.996 541 S CB -0.792 62.398 63.200 -0.017 0.000 0.882 541 S HN 0.559 nan 8.310 nan 0.000 0.445 542 T N 2.863 117.410 114.554 -0.013 0.000 2.759 542 T HA -0.082 4.268 4.350 0.000 0.000 0.269 542 T C 1.758 176.426 174.700 -0.054 0.000 1.042 542 T CA 1.565 63.630 62.100 -0.059 0.000 1.140 542 T CB -0.574 68.242 68.868 -0.086 0.000 0.864 542 T HN 0.444 nan 8.240 nan 0.000 0.455 543 N N 1.023 119.730 118.700 0.011 0.000 2.062 543 N HA -0.040 4.700 4.740 0.000 0.000 0.191 543 N C 2.296 177.825 175.510 0.032 0.000 1.042 543 N CA 1.469 54.541 53.050 0.037 0.000 0.845 543 N CB -1.055 37.470 38.487 0.063 0.000 1.024 543 N HN 0.470 nan 8.380 nan 0.000 0.424 544 G N 1.551 110.368 108.800 0.029 0.000 2.469 544 G HA2 -0.191 3.769 3.960 0.000 0.000 0.220 544 G HA3 -0.191 3.769 3.960 0.000 0.000 0.220 544 G C 1.743 176.681 174.900 0.063 0.000 1.136 544 G CA 0.527 45.651 45.100 0.040 0.000 0.759 544 G HN 0.217 nan 8.290 nan 0.000 0.562 545 L N -0.217 121.022 121.223 0.027 0.000 2.027 545 L HA 0.042 4.382 4.340 0.000 0.000 0.206 545 L C 2.832 179.759 176.870 0.096 0.000 1.074 545 L CA 0.643 55.510 54.840 0.045 0.000 0.745 545 L CB -0.290 41.763 42.059 -0.009 0.000 0.898 545 L HN 0.176 nan 8.230 nan 0.000 0.433 546 I N -0.048 120.546 120.570 0.040 0.000 2.226 546 I HA -0.292 3.879 4.170 0.000 0.000 0.245 546 I C 2.189 178.341 176.117 0.059 0.000 1.100 546 I CA 1.084 62.402 61.300 0.031 0.000 1.374 546 I CB -0.332 37.663 38.000 -0.008 0.000 1.057 546 I HN 0.346 nan 8.210 nan 0.000 0.413 547 N N 0.500 119.244 118.700 0.074 0.000 2.188 547 N HA -0.192 4.548 4.740 0.000 0.000 0.184 547 N C 1.788 177.353 175.510 0.091 0.000 1.018 547 N CA 1.246 54.337 53.050 0.069 0.000 0.858 547 N CB -0.497 38.029 38.487 0.065 0.000 0.989 547 N HN 0.285 nan 8.380 nan 0.000 0.426 548 F N 1.921 121.866 119.950 -0.008 0.000 2.102 548 F HA -0.042 4.485 4.527 0.000 0.000 0.298 548 F C 2.142 177.937 175.800 -0.008 0.000 1.105 548 F CA 1.052 59.047 58.000 -0.008 0.000 1.239 548 F CB -0.289 38.705 39.000 -0.009 0.000 0.991 548 F HN -0.097 nan 8.300 nan 0.000 0.474 549 I N 0.297 120.938 120.570 0.120 0.000 2.264 549 I HA -0.339 3.831 4.170 0.000 0.000 0.248 549 I C 2.275 178.345 176.117 -0.079 0.000 1.111 549 I CA 1.552 62.857 61.300 0.007 0.000 1.382 549 I CB -0.439 37.599 38.000 0.064 0.000 1.060 549 I HN 0.168 nan 8.210 nan 0.000 0.418 550 K N 0.046 120.415 120.400 -0.051 0.000 2.062 550 K HA -0.197 4.123 4.320 0.000 0.000 0.205 550 K C 2.141 178.685 176.600 -0.094 0.000 1.051 550 K CA 0.952 57.208 56.287 -0.053 0.000 0.941 550 K CB -0.162 32.326 32.500 -0.020 0.000 0.719 550 K HN 0.326 nan 8.250 nan 0.000 0.440 551 Q N 0.721 120.440 119.800 -0.135 0.000 2.061 551 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 551 Q C 1.791 177.664 176.000 -0.212 0.000 0.984 551 Q CA 1.442 57.147 55.803 -0.164 0.000 0.846 551 Q CB 0.235 28.855 28.738 -0.197 0.000 0.902 551 Q HN 0.227 nan 8.270 nan 0.000 0.421 552 Q N -0.106 119.499 119.800 -0.325 0.000 2.424 552 Q HA -0.057 4.283 4.340 0.000 0.000 0.204 552 Q C 1.839 177.737 176.000 -0.169 0.000 0.933 552 Q CA 0.819 56.436 55.803 -0.310 0.000 0.929 552 Q CB 0.091 28.519 28.738 -0.517 0.000 1.037 552 Q HN 0.528 nan 8.270 nan 0.000 0.511 553 R N 0.957 121.380 120.500 -0.127 0.000 2.237 553 R HA -0.072 4.268 4.340 0.000 0.000 0.219 553 R C 0.986 177.250 176.300 -0.059 0.000 1.080 553 R CA 1.254 57.309 56.100 -0.074 0.000 0.995 553 R CB -0.135 30.134 30.300 -0.051 0.000 0.875 553 R HN 0.222 nan 8.270 nan 0.000 0.462 554 E N 0.668 120.827 120.200 -0.069 0.000 2.501 554 E HA 0.279 4.629 4.350 0.000 0.000 0.200 554 E C -0.283 176.286 176.600 -0.052 0.000 1.016 554 E CA -0.194 56.176 56.400 -0.051 0.000 0.921 554 E CB 0.684 30.357 29.700 -0.045 0.000 1.034 554 E HN 0.330 nan 8.360 nan 0.000 0.468 555 A N 1.918 124.699 122.820 -0.066 0.000 2.354 555 A HA 0.373 4.693 4.320 0.000 0.000 0.269 555 A C -0.120 177.442 177.584 -0.037 0.000 1.109 555 A CA -0.491 51.512 52.037 -0.055 0.000 0.800 555 A CB 0.380 19.337 19.000 -0.071 0.000 1.045 555 A HN 0.137 nan 8.150 nan 0.000 0.489 556 R N 1.444 121.928 120.500 -0.027 0.000 2.229 556 R HA 0.407 4.747 4.340 0.000 0.000 0.332 556 R C -0.086 176.205 176.300 -0.014 0.000 0.989 556 R CA -0.339 55.751 56.100 -0.018 0.000 0.842 556 R CB 1.443 31.734 30.300 -0.014 0.000 1.119 556 R HN 0.630 nan 8.270 nan 0.000 0.456 557 V N 0.000 119.907 119.914 -0.011 0.000 2.409 557 V HA 0.000 4.120 4.120 0.000 0.000 0.244 557 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 557 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 557 V HN 0.000 nan 8.190 nan 0.000 0.556