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 3eje_1_B DATA FIRST_RESID 9 DATA SEQUENCE SEFLKNPYSF YDTLRAVHPI YKGSFLKYPG WYVTGYEETA AILKDARFKV DATA SEQUENCE RTPLPESSTK YQDLSHVQNQ MMLFQNQPDH RRLRTLASGA FTPRTTESYQ DATA SEQUENCE PYIIETVHHL LDQVQGKKKM EVISDFAFPL ASFVIANIIG VPEEDREQLK DATA SEQUENCE EWAASLIQTI DFTRSRKALT EGNIMAVQAM AYFKELIQKR KRHPQQDMIS DATA SEQUENCE MLLKXXXXXK LTEEEAASTC ILLAIAGHET TVNLISNSVL CLLQHPEQLL DATA SEQUENCE KLRENPDLIG TAVEECLRYE SPTQMTARVA SEDIDICGVT IRQGEQVYLL DATA SEQUENCE LGAANRDPSI FTNPDVFDIT RSPNPHLSFG HGHHVCLGSS LARLEAQIAI DATA SEQUENCE NTLLQRMPSL NLAXXXWRYR PLFGFRALEE LPVTFE 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.615 174.600 0.026 0.000 1.055 9 S CA 0.000 58.243 58.200 0.071 0.000 1.107 9 S CB 0.000 63.231 63.200 0.051 0.000 0.593 10 E N 0.914 121.118 120.200 0.007 0.000 2.152 10 E HA 0.048 4.398 4.350 0.000 0.000 0.192 10 E C 1.481 178.022 176.600 -0.097 0.000 0.983 10 E CA 0.741 57.121 56.400 -0.034 0.000 0.818 10 E CB -0.144 29.543 29.700 -0.022 0.000 0.758 10 E HN 0.588 nan 8.360 nan 0.000 0.467 11 F N 1.156 120.944 119.950 -0.271 0.000 2.146 11 F HA -0.132 4.395 4.527 0.000 0.000 0.298 11 F C 2.077 177.575 175.800 -0.503 0.000 1.096 11 F CA 1.000 58.718 58.000 -0.470 0.000 1.275 11 F CB -0.084 38.525 39.000 -0.652 0.000 1.008 11 F HN -0.087 nan 8.300 nan 0.000 0.480 12 L N 0.264 121.291 121.223 -0.328 0.000 2.141 12 L HA -0.192 4.148 4.340 0.000 0.000 0.209 12 L C 2.362 178.961 176.870 -0.451 0.000 1.094 12 L CA 1.342 55.945 54.840 -0.395 0.000 0.763 12 L CB -0.586 41.456 42.059 -0.029 0.000 0.908 12 L HN 0.083 nan 8.230 nan 0.000 0.437 13 K N -0.460 119.798 120.400 -0.236 0.000 2.097 13 K HA -0.084 4.236 4.320 0.000 0.000 0.205 13 K C 0.486 176.949 176.600 -0.229 0.000 1.050 13 K CA 0.814 57.034 56.287 -0.111 0.000 0.938 13 K CB -0.008 32.479 32.500 -0.022 0.000 0.718 13 K HN 0.086 nan 8.250 nan 0.000 0.442 14 N N -0.558 117.915 118.700 -0.378 0.000 2.732 14 N HA 0.104 4.845 4.740 0.000 0.000 0.247 14 N C -2.510 172.571 175.510 -0.715 0.000 1.305 14 N CA -1.535 51.265 53.050 -0.416 0.000 0.762 14 N CB 1.392 39.778 38.487 -0.168 0.000 1.361 14 N HN -0.204 nan 8.380 nan 0.000 0.545 15 P HA -0.004 nan 4.420 nan 0.000 0.231 15 P C 0.664 177.102 177.300 -1.437 0.000 1.168 15 P CA 0.713 62.778 63.100 -1.726 0.000 0.779 15 P CB 0.202 30.601 31.700 -2.168 0.000 0.844 16 Y N 1.349 121.278 120.300 -0.619 0.000 2.314 16 Y HA -0.110 4.441 4.550 0.000 0.000 0.293 16 Y C 2.892 178.687 175.900 -0.176 0.000 1.129 16 Y CA 1.403 59.333 58.100 -0.283 0.000 1.201 16 Y CB -1.501 36.864 38.460 -0.158 0.000 0.999 16 Y HN 0.076 nan 8.280 nan 0.000 0.541 17 S N -0.192 115.464 115.700 -0.074 0.000 2.383 17 S HA -0.246 4.224 4.470 0.000 0.000 0.227 17 S C 1.942 176.518 174.600 -0.041 0.000 1.026 17 S CA 1.012 59.192 58.200 -0.034 0.000 0.981 17 S CB -1.221 61.960 63.200 -0.032 0.000 0.818 17 S HN 0.431 nan 8.310 nan 0.000 0.472 18 F N 1.978 121.763 119.950 -0.275 0.000 2.134 18 F HA -0.027 4.500 4.527 0.000 0.000 0.299 18 F C 2.015 177.728 175.800 -0.145 0.000 1.097 18 F CA 1.057 58.915 58.000 -0.237 0.000 1.264 18 F CB -0.541 38.302 39.000 -0.262 0.000 1.001 18 F HN 0.097 nan 8.300 nan 0.000 0.479 19 Y N 0.781 120.997 120.300 -0.140 0.000 2.224 19 Y HA -0.190 4.360 4.550 0.000 0.000 0.289 19 Y C 2.410 178.199 175.900 -0.185 0.000 1.146 19 Y CA 1.132 59.111 58.100 -0.202 0.000 1.182 19 Y CB -1.462 36.980 38.460 -0.030 0.000 0.983 19 Y HN 0.104 nan 8.280 nan 0.000 0.524 20 D N -0.732 119.692 120.400 0.040 0.000 2.117 20 D HA -0.128 4.513 4.640 0.000 0.000 0.197 20 D C 2.086 178.357 176.300 -0.048 0.000 0.987 20 D CA 1.917 55.926 54.000 0.014 0.000 0.829 20 D CB -0.461 40.355 40.800 0.028 0.000 0.961 20 D HN 0.304 nan 8.370 nan 0.000 0.460 21 T N 0.765 115.249 114.554 -0.118 0.000 2.788 21 T HA -0.107 4.243 4.350 0.000 0.000 0.268 21 T C 1.977 176.567 174.700 -0.182 0.000 1.044 21 T CA 0.499 62.520 62.100 -0.132 0.000 1.139 21 T CB -0.163 68.612 68.868 -0.154 0.000 0.867 21 T HN 0.017 nan 8.240 nan 0.000 0.454 22 L N 0.740 121.760 121.223 -0.339 0.000 2.056 22 L HA 0.100 4.440 4.340 0.000 0.000 0.207 22 L C 2.625 179.452 176.870 -0.071 0.000 1.078 22 L CA 1.478 56.086 54.840 -0.387 0.000 0.749 22 L CB -0.630 41.096 42.059 -0.556 0.000 0.901 22 L HN 0.113 nan 8.230 nan 0.000 0.433 23 R N -0.604 119.875 120.500 -0.035 0.000 2.115 23 R HA -0.123 4.217 4.340 0.000 0.000 0.230 23 R C 2.147 178.472 176.300 0.043 0.000 1.111 23 R CA 1.178 57.296 56.100 0.030 0.000 0.976 23 R CB -0.122 30.195 30.300 0.028 0.000 0.870 23 R HN 0.364 nan 8.270 nan 0.000 0.445 24 A N 0.126 122.965 122.820 0.032 0.000 1.969 24 A HA -0.067 4.254 4.320 0.000 0.000 0.218 24 A C 2.154 179.789 177.584 0.086 0.000 1.169 24 A CA 1.230 53.294 52.037 0.044 0.000 0.635 24 A CB -0.276 18.742 19.000 0.031 0.000 0.810 24 A HN 0.187 nan 8.150 nan 0.000 0.445 25 V N -0.775 119.220 119.914 0.135 0.000 2.221 25 V HA -0.033 4.087 4.120 0.000 0.000 0.242 25 V C 1.216 177.490 176.094 0.301 0.000 1.041 25 V CA 1.728 64.167 62.300 0.231 0.000 0.995 25 V CB -0.488 31.553 31.823 0.363 0.000 0.635 25 V HN 0.746 nan 8.190 nan 0.000 0.448 26 H N -0.677 118.533 119.070 0.234 0.000 3.129 26 H HA 0.199 4.755 4.556 0.000 0.000 0.342 26 H C -2.371 173.090 175.328 0.221 0.000 1.092 26 H CA -0.997 55.176 56.048 0.209 0.000 1.310 26 H CB 2.593 32.492 29.762 0.228 0.000 1.932 26 H HN -0.036 nan 8.280 nan 0.000 0.507 27 P HA -0.003 nan 4.420 nan 0.000 0.225 27 P C 0.342 177.790 177.300 0.248 0.000 1.148 27 P CA 0.944 64.096 63.100 0.085 0.000 0.779 27 P CB 0.779 32.455 31.700 -0.041 0.000 0.780 28 I N -0.416 120.459 120.570 0.507 0.000 2.405 28 I HA 0.235 4.405 4.170 0.000 0.000 0.280 28 I C -0.666 175.875 176.117 0.707 0.000 1.027 28 I CA -1.139 60.480 61.300 0.532 0.000 1.161 28 I CB 0.923 39.115 38.000 0.321 0.000 1.300 28 I HN -0.194 nan 8.210 nan 0.000 0.463 29 Y N 6.916 127.533 120.300 0.528 0.000 2.335 29 Y HA 0.324 4.874 4.550 0.000 0.000 0.339 29 Y C 0.186 176.300 175.900 0.356 0.000 0.987 29 Y CA -0.593 57.759 58.100 0.421 0.000 1.140 29 Y CB 1.068 39.730 38.460 0.336 0.000 1.173 29 Y HN 0.418 nan 8.280 nan 0.000 0.486 30 K N 5.096 125.315 120.400 -0.302 0.000 2.312 30 K HA 0.565 4.885 4.320 0.000 0.000 0.287 30 K C -0.323 175.951 176.600 -0.543 0.000 1.062 30 K CA 0.188 56.061 56.287 -0.690 0.000 0.934 30 K CB 0.095 31.956 32.500 -1.064 0.000 1.027 30 K HN 0.994 nan 8.250 nan 0.000 0.478 31 G N 0.818 109.519 108.800 -0.164 0.000 2.561 31 G HA2 0.325 4.285 3.960 0.000 0.000 0.310 31 G HA3 0.325 4.285 3.960 0.000 0.000 0.310 31 G C -1.671 173.164 174.900 -0.108 0.000 1.292 31 G CA -0.562 44.452 45.100 -0.143 0.000 0.811 31 G HN 0.421 nan 8.290 nan 0.000 0.482 32 S N -0.891 114.522 115.700 -0.479 0.000 2.668 32 S HA 0.759 5.229 4.470 0.000 0.000 0.277 32 S C -1.951 172.243 174.600 -0.676 0.000 1.170 32 S CA -0.606 57.408 58.200 -0.310 0.000 0.994 32 S CB 0.471 63.567 63.200 -0.173 0.000 1.051 32 S HN 0.560 nan 8.310 nan 0.000 0.484 33 F N 3.767 123.775 119.950 0.098 0.000 2.547 33 F HA 0.559 5.086 4.527 0.000 0.000 0.316 33 F C 0.608 176.497 175.800 0.147 0.000 1.121 33 F CA -1.061 56.976 58.000 0.062 0.000 0.911 33 F CB 1.538 40.508 39.000 -0.050 0.000 1.179 33 F HN 0.563 nan 8.300 nan 0.000 0.443 34 L N 4.069 125.423 121.223 0.219 0.000 3.737 34 L HA -0.384 3.957 4.340 0.000 0.000 0.418 34 L C 0.427 177.225 176.870 -0.120 0.000 1.216 34 L CA 0.278 55.158 54.840 0.066 0.000 0.915 34 L CB -1.022 41.115 42.059 0.130 0.000 1.834 34 L HN 0.802 nan 8.230 nan 0.000 0.943 35 K N -3.503 116.805 120.400 -0.153 0.000 3.467 35 K HA -0.190 4.130 4.320 0.000 0.000 0.309 35 K C -0.542 175.776 176.600 -0.470 0.000 1.350 35 K CA 1.312 57.411 56.287 -0.314 0.000 0.934 35 K CB -1.799 30.465 32.500 -0.393 0.000 1.312 35 K HN 0.498 nan 8.250 nan 0.000 0.461 36 Y N 1.715 121.941 120.300 -0.123 0.000 2.402 36 Y HA 0.319 4.869 4.550 0.000 0.000 0.332 36 Y C -1.899 174.084 175.900 0.138 0.000 0.960 36 Y CA -2.436 55.608 58.100 -0.093 0.000 1.228 36 Y CB 1.274 39.457 38.460 -0.461 0.000 1.120 36 Y HN -0.095 nan 8.280 nan 0.000 0.491 37 P HA 0.564 nan 4.420 nan 0.000 0.282 37 P C 0.121 177.603 177.300 0.304 0.000 1.249 37 P CA 0.097 63.323 63.100 0.209 0.000 0.806 37 P CB 2.347 34.084 31.700 0.061 0.000 0.984 38 G N 1.193 110.134 108.800 0.236 0.000 2.344 38 G HA2 0.248 4.208 3.960 0.000 0.000 0.282 38 G HA3 0.248 4.208 3.960 0.000 0.000 0.282 38 G C -2.253 172.638 174.900 -0.015 0.000 1.281 38 G CA -0.874 44.292 45.100 0.110 0.000 0.877 38 G HN 0.327 nan 8.290 nan 0.000 0.494 39 W N 0.575 121.944 121.300 0.115 0.000 2.314 39 W HA 0.672 5.332 4.660 0.000 0.000 0.310 39 W C -0.926 175.661 176.519 0.114 0.000 1.075 39 W CA -0.523 56.919 57.345 0.161 0.000 1.253 39 W CB 1.020 30.536 29.460 0.094 0.000 1.238 39 W HN 0.366 nan 8.180 nan 0.000 0.440 40 Y N 2.904 123.542 120.300 0.563 0.000 2.385 40 Y HA 0.429 4.980 4.550 0.000 0.000 0.341 40 Y C 0.179 176.286 175.900 0.345 0.000 0.965 40 Y CA -0.987 57.394 58.100 0.469 0.000 1.180 40 Y CB 0.820 39.589 38.460 0.516 0.000 1.139 40 Y HN -0.011 nan 8.280 nan 0.000 0.502 41 V N 3.321 123.415 119.914 0.300 0.000 2.370 41 V HA 0.181 4.301 4.120 0.000 0.000 0.279 41 V C 0.588 176.732 176.094 0.083 0.000 1.029 41 V CA -0.229 62.175 62.300 0.173 0.000 0.870 41 V CB 1.109 32.965 31.823 0.055 0.000 0.984 41 V HN 0.966 nan 8.190 nan 0.000 0.451 42 T N 0.444 115.046 114.554 0.079 0.000 2.985 42 T HA 0.237 4.587 4.350 0.000 0.000 0.254 42 T C 0.895 175.611 174.700 0.027 0.000 1.021 42 T CA 0.405 62.510 62.100 0.009 0.000 0.957 42 T CB 0.453 69.330 68.868 0.015 0.000 1.047 42 T HN 0.737 nan 8.240 nan 0.000 0.511 43 G N 0.100 108.925 108.800 0.043 0.000 2.390 43 G HA2 0.421 4.382 3.960 0.000 0.000 0.270 43 G HA3 0.421 4.382 3.960 0.000 0.000 0.270 43 G C 0.044 174.980 174.900 0.060 0.000 1.211 43 G CA -0.652 44.481 45.100 0.054 0.000 0.842 43 G HN 0.238 nan 8.290 nan 0.000 0.519 44 Y N 1.072 121.361 120.300 -0.019 0.000 2.133 44 Y HA -0.143 4.407 4.550 0.000 0.000 0.287 44 Y C 2.642 178.501 175.900 -0.069 0.000 1.134 44 Y CA 2.168 60.252 58.100 -0.027 0.000 1.133 44 Y CB 0.267 38.722 38.460 -0.009 0.000 0.987 44 Y HN 0.537 nan 8.280 nan 0.000 0.502 45 E N 0.352 120.653 120.200 0.168 0.000 2.077 45 E HA -0.218 4.132 4.350 0.000 0.000 0.193 45 E C 1.905 178.470 176.600 -0.059 0.000 0.989 45 E CA 1.708 58.141 56.400 0.055 0.000 0.800 45 E CB -0.151 29.587 29.700 0.064 0.000 0.746 45 E HN 0.619 nan 8.360 nan 0.000 0.452 46 E N -0.011 120.159 120.200 -0.051 0.000 2.072 46 E HA -0.095 4.255 4.350 0.000 0.000 0.191 46 E C 2.159 178.670 176.600 -0.148 0.000 0.985 46 E CA 1.436 57.789 56.400 -0.080 0.000 0.801 46 E CB -0.399 29.278 29.700 -0.039 0.000 0.750 46 E HN 0.124 nan 8.360 nan 0.000 0.452 47 T N 0.592 115.046 114.554 -0.167 0.000 2.652 47 T HA -0.200 4.151 4.350 0.000 0.000 0.267 47 T C 1.975 176.523 174.700 -0.254 0.000 1.039 47 T CA 1.532 63.504 62.100 -0.214 0.000 1.153 47 T CB -0.478 68.258 68.868 -0.220 0.000 0.863 47 T HN 0.294 nan 8.240 nan 0.000 0.428 48 A N 1.410 124.017 122.820 -0.355 0.000 1.902 48 A HA 0.116 4.436 4.320 0.000 0.000 0.217 48 A C 2.635 180.146 177.584 -0.122 0.000 1.181 48 A CA 1.934 53.746 52.037 -0.376 0.000 0.623 48 A CB -1.105 17.536 19.000 -0.597 0.000 0.818 48 A HN 0.520 nan 8.150 nan 0.000 0.443 49 A N -0.238 122.511 122.820 -0.118 0.000 1.902 49 A HA -0.053 4.267 4.320 0.000 0.000 0.217 49 A C 2.113 179.655 177.584 -0.070 0.000 1.181 49 A CA 1.516 53.521 52.037 -0.053 0.000 0.623 49 A CB -0.552 18.420 19.000 -0.047 0.000 0.818 49 A HN 0.496 nan 8.150 nan 0.000 0.443 50 I N -0.499 119.944 120.570 -0.210 0.000 2.252 50 I HA -0.210 3.961 4.170 0.000 0.000 0.245 50 I C 2.232 178.225 176.117 -0.206 0.000 1.102 50 I CA 0.939 61.973 61.300 -0.442 0.000 1.385 50 I CB -0.231 37.310 38.000 -0.765 0.000 1.064 50 I HN 0.258 nan 8.210 nan 0.000 0.414 51 L N 0.339 121.495 121.223 -0.111 0.000 2.201 51 L HA -0.180 4.160 4.340 0.000 0.000 0.212 51 L C 2.451 179.342 176.870 0.035 0.000 1.105 51 L CA 1.201 56.037 54.840 -0.007 0.000 0.775 51 L CB -0.414 41.669 42.059 0.040 0.000 0.913 51 L HN 0.177 nan 8.230 nan 0.000 0.440 52 K N -0.548 119.883 120.400 0.052 0.000 2.228 52 K HA -0.087 4.233 4.320 0.000 0.000 0.202 52 K C 0.446 177.052 176.600 0.010 0.000 1.051 52 K CA 0.322 56.606 56.287 -0.005 0.000 0.960 52 K CB 0.232 32.759 32.500 0.045 0.000 0.743 52 K HN 0.057 nan 8.250 nan 0.000 0.458 53 D N -0.046 120.414 120.400 0.099 0.000 2.339 53 D HA 0.109 4.749 4.640 0.000 0.000 0.241 53 D C 0.297 176.717 176.300 0.200 0.000 1.183 53 D CA -0.090 54.015 54.000 0.175 0.000 0.859 53 D CB 1.653 42.653 40.800 0.334 0.000 1.067 53 D HN 0.187 nan 8.370 nan 0.000 0.484 54 A N 4.845 127.749 122.820 0.139 0.000 2.172 54 A HA -0.117 4.204 4.320 0.000 0.000 0.216 54 A C 1.998 179.632 177.584 0.083 0.000 1.154 54 A CA 0.749 52.873 52.037 0.145 0.000 0.701 54 A CB -0.075 19.018 19.000 0.156 0.000 0.789 54 A HN 0.596 nan 8.150 nan 0.000 0.465 55 R N -1.469 119.045 120.500 0.025 0.000 2.115 55 R HA -0.014 4.326 4.340 0.000 0.000 0.230 55 R C -0.485 175.689 176.300 -0.210 0.000 1.111 55 R CA 0.476 56.505 56.100 -0.119 0.000 0.976 55 R CB -0.207 29.960 30.300 -0.221 0.000 0.870 55 R HN 0.491 nan 8.270 nan 0.000 0.445 56 F N 2.200 122.146 119.950 -0.007 0.000 2.439 56 F HA 0.163 4.690 4.527 0.000 0.000 0.356 56 F C 0.480 176.275 175.800 -0.008 0.000 1.161 56 F CA -0.011 57.978 58.000 -0.019 0.000 1.151 56 F CB 0.437 39.418 39.000 -0.032 0.000 1.222 56 F HN -0.309 nan 8.300 nan 0.000 0.558 57 K N 2.643 123.111 120.400 0.113 0.000 2.098 57 K HA 0.553 4.873 4.320 0.000 0.000 0.258 57 K C -0.311 176.314 176.600 0.042 0.000 0.973 57 K CA -1.030 55.301 56.287 0.072 0.000 0.898 57 K CB 1.807 34.332 32.500 0.042 0.000 1.057 57 K HN 0.427 nan 8.250 nan 0.000 0.447 58 V N 0.266 120.174 119.914 -0.009 0.000 3.051 58 V HA 0.434 4.554 4.120 0.000 0.000 0.306 58 V C -0.041 176.077 176.094 0.041 0.000 1.083 58 V CA -0.432 61.844 62.300 -0.041 0.000 1.104 58 V CB 0.783 32.470 31.823 -0.228 0.000 1.027 58 V HN 0.900 nan 8.190 nan 0.000 0.483 59 R N 1.348 121.895 120.500 0.078 0.000 2.764 59 R HA 0.444 4.784 4.340 0.000 0.000 0.270 59 R C -0.494 175.792 176.300 -0.022 0.000 1.014 59 R CA 0.142 56.269 56.100 0.045 0.000 0.904 59 R CB 0.694 30.999 30.300 0.009 0.000 1.236 59 R HN 1.003 nan 8.270 nan 0.000 0.466 60 T N -0.235 114.262 114.554 -0.094 0.000 2.902 60 T HA 0.181 4.531 4.350 0.000 0.000 0.301 60 T C -1.304 173.200 174.700 -0.326 0.000 1.012 60 T CA -0.923 60.999 62.100 -0.295 0.000 1.151 60 T CB 0.538 69.321 68.868 -0.142 0.000 0.946 60 T HN 0.484 nan 8.240 nan 0.000 0.542 61 P HA 0.157 nan 4.420 nan 0.000 0.237 61 P C 0.022 177.232 177.300 -0.149 0.000 1.178 61 P CA 0.334 63.247 63.100 -0.311 0.000 0.766 61 P CB 0.220 31.689 31.700 -0.385 0.000 0.876 62 L N -0.275 120.872 121.223 -0.126 0.000 2.323 62 L HA 0.514 4.854 4.340 0.000 0.000 0.265 62 L C -2.473 174.393 176.870 -0.006 0.000 1.012 62 L CA -3.132 51.697 54.840 -0.019 0.000 0.820 62 L CB 1.552 43.628 42.059 0.029 0.000 1.334 62 L HN -0.408 nan 8.230 nan 0.000 0.427 63 P HA -0.016 nan 4.420 nan 0.000 0.263 63 P C 0.038 177.350 177.300 0.019 0.000 1.175 63 P CA 0.240 63.356 63.100 0.028 0.000 0.761 63 P CB 0.518 32.241 31.700 0.038 0.000 0.794 64 E N 0.998 121.206 120.200 0.014 0.000 2.070 64 E HA -0.169 4.181 4.350 0.000 0.000 0.197 64 E C 0.935 177.549 176.600 0.024 0.000 1.004 64 E CA 1.671 58.081 56.400 0.016 0.000 0.805 64 E CB -0.256 29.454 29.700 0.017 0.000 0.744 64 E HN 0.400 nan 8.360 nan 0.000 0.451 65 S N 0.135 115.848 115.700 0.021 0.000 2.597 65 S HA 0.073 4.544 4.470 0.000 0.000 0.224 65 S C 0.344 174.954 174.600 0.016 0.000 0.955 65 S CA -0.350 57.862 58.200 0.020 0.000 0.933 65 S CB 0.631 63.840 63.200 0.014 0.000 0.788 65 S HN 0.077 nan 8.310 nan 0.000 0.488 66 S N 2.648 118.360 115.700 0.020 0.000 2.528 66 S HA 0.201 4.672 4.470 0.000 0.000 0.277 66 S C 0.960 175.566 174.600 0.011 0.000 1.297 66 S CA -0.233 57.974 58.200 0.013 0.000 1.052 66 S CB 0.428 63.647 63.200 0.032 0.000 0.917 66 S HN 0.438 nan 8.310 nan 0.000 0.492 67 T N 1.914 116.455 114.554 -0.022 0.000 3.182 67 T HA 0.292 4.642 4.350 0.000 0.000 0.277 67 T C 1.148 175.792 174.700 -0.093 0.000 1.013 67 T CA -0.496 61.587 62.100 -0.029 0.000 0.900 67 T CB 0.087 68.941 68.868 -0.023 0.000 1.098 67 T HN 0.651 nan 8.240 nan 0.000 0.543 68 K N 1.210 121.502 120.400 -0.179 0.000 2.057 68 K HA -0.047 4.273 4.320 0.000 0.000 0.207 68 K C -0.367 175.879 176.600 -0.591 0.000 1.049 68 K CA 1.048 57.080 56.287 -0.425 0.000 0.931 68 K CB -0.002 32.144 32.500 -0.590 0.000 0.714 68 K HN 0.555 nan 8.250 nan 0.000 0.440 69 Y N 0.968 121.275 120.300 0.011 0.000 2.836 69 Y HA 0.182 4.732 4.550 0.000 0.000 0.359 69 Y C 1.065 176.977 175.900 0.020 0.000 1.060 69 Y CA -0.707 57.402 58.100 0.015 0.000 1.161 69 Y CB 0.867 39.336 38.460 0.016 0.000 1.225 69 Y HN 0.132 nan 8.280 nan 0.000 0.621 70 Q N 1.112 120.965 119.800 0.087 0.000 2.096 70 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 70 Q C 0.880 176.937 176.000 0.095 0.000 0.982 70 Q CA 2.294 58.135 55.803 0.064 0.000 0.850 70 Q CB 0.246 28.993 28.738 0.015 0.000 0.901 70 Q HN 0.659 nan 8.270 nan 0.000 0.422 71 D N 0.271 120.725 120.400 0.090 0.000 2.149 71 D HA -0.130 4.510 4.640 0.000 0.000 0.201 71 D C 2.028 178.398 176.300 0.117 0.000 0.972 71 D CA 0.656 54.710 54.000 0.091 0.000 0.835 71 D CB -0.012 40.820 40.800 0.054 0.000 0.966 71 D HN 0.247 nan 8.370 nan 0.000 0.476 72 L N 1.347 122.638 121.223 0.113 0.000 2.017 72 L HA -0.125 4.215 4.340 0.000 0.000 0.208 72 L C 2.286 179.213 176.870 0.095 0.000 1.073 72 L CA 1.599 56.493 54.840 0.090 0.000 0.745 72 L CB -0.640 41.463 42.059 0.073 0.000 0.894 72 L HN -0.191 nan 8.230 nan 0.000 0.432 73 S N -1.316 114.457 115.700 0.121 0.000 2.368 73 S HA -0.247 4.223 4.470 0.000 0.000 0.225 73 S C 1.986 176.651 174.600 0.108 0.000 1.030 73 S CA 1.268 59.527 58.200 0.098 0.000 0.999 73 S CB -0.624 62.639 63.200 0.105 0.000 0.844 73 S HN 0.664 nan 8.310 nan 0.000 0.459 74 H N 0.654 119.750 119.070 0.044 0.000 2.353 74 H HA -0.051 4.505 4.556 0.000 0.000 0.300 74 H C 2.068 177.425 175.328 0.049 0.000 1.090 74 H CA 1.716 57.789 56.048 0.041 0.000 1.327 74 H CB -0.154 29.628 29.762 0.032 0.000 1.383 74 H HN 0.210 nan 8.280 nan 0.000 0.508 75 V N 1.290 121.240 119.914 0.061 0.000 2.295 75 V HA -0.278 3.843 4.120 0.000 0.000 0.246 75 V C 2.608 178.721 176.094 0.031 0.000 1.049 75 V CA 2.015 64.324 62.300 0.016 0.000 1.024 75 V CB -0.577 31.276 31.823 0.050 0.000 0.648 75 V HN 0.456 nan 8.190 nan 0.000 0.447 76 Q N 0.082 119.927 119.800 0.076 0.000 2.061 76 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 76 Q C 2.088 178.209 176.000 0.202 0.000 0.984 76 Q CA 1.794 57.695 55.803 0.163 0.000 0.846 76 Q CB -0.293 28.467 28.738 0.037 0.000 0.902 76 Q HN 0.618 nan 8.270 nan 0.000 0.421 77 N N 0.385 119.126 118.700 0.068 0.000 2.453 77 N HA -0.116 4.624 4.740 0.000 0.000 0.183 77 N C 1.082 176.620 175.510 0.046 0.000 1.041 77 N CA 0.885 53.973 53.050 0.063 0.000 0.900 77 N CB 0.042 38.539 38.487 0.017 0.000 0.961 77 N HN 0.318 nan 8.380 nan 0.000 0.443 78 Q N -0.556 119.233 119.800 -0.019 0.000 2.392 78 Q HA 0.215 4.555 4.340 0.000 0.000 0.203 78 Q C -0.026 175.984 176.000 0.016 0.000 0.917 78 Q CA 0.025 55.802 55.803 -0.043 0.000 0.939 78 Q CB 0.290 28.938 28.738 -0.149 0.000 1.063 78 Q HN 0.374 nan 8.270 nan 0.000 0.516 79 M N 1.072 120.716 119.600 0.073 0.000 2.217 79 M HA 0.089 4.569 4.480 0.000 0.000 0.354 79 M C 1.384 177.703 176.300 0.032 0.000 1.225 79 M CA -0.098 55.225 55.300 0.038 0.000 1.137 79 M CB 0.992 33.611 32.600 0.031 0.000 1.576 79 M HN 0.196 nan 8.290 nan 0.000 0.461 80 M N 1.765 121.378 119.600 0.022 0.000 2.267 80 M HA -0.138 4.342 4.480 0.000 0.000 0.263 80 M C 1.345 177.740 176.300 0.159 0.000 1.063 80 M CA 1.738 57.108 55.300 0.117 0.000 1.090 80 M CB -0.459 32.194 32.600 0.087 0.000 1.392 80 M HN 0.650 nan 8.290 nan 0.000 0.422 81 L N 0.495 121.648 121.223 -0.116 0.000 2.191 81 L HA -0.002 4.338 4.340 0.000 0.000 0.212 81 L C 0.812 177.390 176.870 -0.487 0.000 1.103 81 L CA 1.738 56.357 54.840 -0.368 0.000 0.769 81 L CB -0.345 41.255 42.059 -0.764 0.000 0.908 81 L HN 0.350 nan 8.230 nan 0.000 0.438 82 F N -1.155 118.816 119.950 0.036 0.000 2.668 82 F HA 0.375 4.902 4.527 0.000 0.000 0.301 82 F C 0.628 176.446 175.800 0.029 0.000 1.106 82 F CA -0.786 57.210 58.000 -0.006 0.000 1.289 82 F CB -0.304 38.700 39.000 0.007 0.000 1.006 82 F HN -0.012 nan 8.300 nan 0.000 0.535 83 Q N 0.826 120.749 119.800 0.205 0.000 2.274 83 Q HA 0.373 4.713 4.340 0.000 0.000 0.260 83 Q C -0.262 175.860 176.000 0.202 0.000 0.974 83 Q CA -0.408 55.509 55.803 0.190 0.000 0.876 83 Q CB 2.423 31.270 28.738 0.181 0.000 1.297 83 Q HN 0.214 nan 8.270 nan 0.000 0.446 84 N N 0.730 119.516 118.700 0.143 0.000 2.776 84 N HA 0.213 4.953 4.740 0.000 0.000 0.319 84 N C -0.394 175.177 175.510 0.103 0.000 1.316 84 N CA -0.630 52.490 53.050 0.117 0.000 0.890 84 N CB 0.732 39.268 38.487 0.081 0.000 1.165 84 N HN 0.388 nan 8.380 nan 0.000 0.596 85 Q N 0.910 120.745 119.800 0.058 0.000 2.361 85 Q HA 0.101 4.441 4.340 0.000 0.000 0.276 85 Q C -1.384 174.633 176.000 0.029 0.000 1.022 85 Q CA -0.861 54.960 55.803 0.030 0.000 0.898 85 Q CB 0.467 29.204 28.738 -0.001 0.000 1.246 85 Q HN 0.428 nan 8.270 nan 0.000 0.410 86 P HA 0.092 nan 4.420 nan 0.000 0.268 86 P C -0.601 176.704 177.300 0.009 0.000 1.329 86 P CA 0.279 63.381 63.100 0.004 0.000 0.899 86 P CB 0.512 32.208 31.700 -0.007 0.000 1.378 87 D N -1.061 119.360 120.400 0.034 0.000 2.219 87 D HA -0.176 4.464 4.640 0.000 0.000 0.205 87 D C 1.933 178.256 176.300 0.039 0.000 0.970 87 D CA 0.810 54.829 54.000 0.033 0.000 0.851 87 D CB -0.446 40.382 40.800 0.047 0.000 0.943 87 D HN 0.344 nan 8.370 nan 0.000 0.488 88 H N 0.938 119.993 119.070 -0.025 0.000 2.293 88 H HA -0.072 4.484 4.556 0.000 0.000 0.300 88 H C 2.192 177.466 175.328 -0.089 0.000 1.082 88 H CA 1.459 57.478 56.048 -0.049 0.000 1.308 88 H CB 0.169 29.883 29.762 -0.081 0.000 1.375 88 H HN -0.019 nan 8.280 nan 0.000 0.495 89 R N 0.462 120.790 120.500 -0.287 0.000 2.091 89 R HA -0.130 4.211 4.340 0.000 0.000 0.238 89 R C 2.851 179.020 176.300 -0.220 0.000 1.136 89 R CA 1.611 57.519 56.100 -0.319 0.000 0.959 89 R CB -0.181 30.015 30.300 -0.173 0.000 0.856 89 R HN 0.291 nan 8.270 nan 0.000 0.437 90 R N 0.352 120.772 120.500 -0.133 0.000 2.080 90 R HA -0.145 4.195 4.340 0.000 0.000 0.236 90 R C 2.168 178.413 176.300 -0.093 0.000 1.137 90 R CA 1.835 57.883 56.100 -0.087 0.000 0.943 90 R CB -0.358 29.913 30.300 -0.049 0.000 0.846 90 R HN 0.255 nan 8.270 nan 0.000 0.431 91 L N -0.011 121.152 121.223 -0.100 0.000 2.056 91 L HA -0.135 4.205 4.340 0.000 0.000 0.207 91 L C 2.951 179.758 176.870 -0.105 0.000 1.078 91 L CA 1.430 56.224 54.840 -0.077 0.000 0.749 91 L CB -0.532 41.500 42.059 -0.045 0.000 0.901 91 L HN 0.292 nan 8.230 nan 0.000 0.433 92 R N -0.094 120.279 120.500 -0.212 0.000 2.066 92 R HA -0.137 4.203 4.340 0.000 0.000 0.232 92 R C 2.288 178.518 176.300 -0.116 0.000 1.131 92 R CA 1.991 57.965 56.100 -0.210 0.000 0.955 92 R CB -0.252 29.791 30.300 -0.429 0.000 0.851 92 R HN 0.251 nan 8.270 nan 0.000 0.432 93 T N 1.667 116.145 114.554 -0.127 0.000 2.720 93 T HA -0.133 4.217 4.350 0.000 0.000 0.268 93 T C 1.775 176.457 174.700 -0.031 0.000 1.037 93 T CA 1.326 63.384 62.100 -0.070 0.000 1.144 93 T CB -0.128 68.696 68.868 -0.073 0.000 0.864 93 T HN 0.194 nan 8.240 nan 0.000 0.444 94 L N 0.411 121.615 121.223 -0.032 0.000 2.201 94 L HA 0.024 4.364 4.340 0.000 0.000 0.212 94 L C 2.771 179.653 176.870 0.019 0.000 1.105 94 L CA 0.986 55.820 54.840 -0.010 0.000 0.775 94 L CB -0.433 41.618 42.059 -0.014 0.000 0.913 94 L HN 0.245 nan 8.230 nan 0.000 0.440 95 A N -0.710 122.133 122.820 0.038 0.000 2.195 95 A HA -0.036 4.284 4.320 0.000 0.000 0.210 95 A C 2.374 180.080 177.584 0.204 0.000 1.165 95 A CA 0.800 52.905 52.037 0.113 0.000 0.806 95 A CB -0.258 18.813 19.000 0.118 0.000 0.847 95 A HN 0.425 nan 8.150 nan 0.000 0.482 96 S N -0.326 115.454 115.700 0.132 0.000 2.447 96 S HA -0.007 4.464 4.470 0.000 0.000 0.233 96 S C 1.896 176.582 174.600 0.143 0.000 1.006 96 S CA 1.162 59.462 58.200 0.167 0.000 0.957 96 S CB -0.827 62.411 63.200 0.063 0.000 0.773 96 S HN 0.580 nan 8.310 nan 0.000 0.507 97 G N 1.169 110.005 108.800 0.061 0.000 2.448 97 G HA2 0.127 4.087 3.960 0.000 0.000 0.219 97 G HA3 0.127 4.087 3.960 0.000 0.000 0.219 97 G C 1.384 176.246 174.900 -0.063 0.000 1.127 97 G CA 0.528 45.627 45.100 -0.001 0.000 0.766 97 G HN 0.797 nan 8.290 nan 0.000 0.552 98 A N -0.595 122.134 122.820 -0.151 0.000 2.251 98 A HA 0.532 4.852 4.320 0.000 0.000 0.209 98 A C 1.074 178.286 177.584 -0.619 0.000 1.187 98 A CA 0.203 51.991 52.037 -0.415 0.000 0.823 98 A CB -0.047 18.582 19.000 -0.618 0.000 0.846 98 A HN 0.277 nan 8.150 nan 0.000 0.486 99 F N -0.111 119.883 119.950 0.072 0.000 2.772 99 F HA 0.134 4.661 4.527 0.000 0.000 0.316 99 F C 1.173 176.982 175.800 0.015 0.000 1.114 99 F CA -0.130 57.912 58.000 0.070 0.000 1.191 99 F CB -0.209 38.820 39.000 0.047 0.000 1.065 99 F HN 0.061 nan 8.300 nan 0.000 0.534 100 T N -1.858 112.748 114.554 0.088 0.000 2.903 100 T HA 0.069 4.420 4.350 0.000 0.000 0.314 100 T C -1.595 173.108 174.700 0.005 0.000 1.078 100 T CA -1.157 60.962 62.100 0.032 0.000 1.114 100 T CB 1.055 69.917 68.868 -0.010 0.000 0.987 100 T HN -0.150 nan 8.240 nan 0.000 0.548 101 P HA -0.119 nan 4.420 nan 0.000 0.216 101 P C 1.753 179.026 177.300 -0.044 0.000 1.154 101 P CA 1.206 64.299 63.100 -0.011 0.000 0.865 101 P CB 0.068 31.762 31.700 -0.010 0.000 0.789 102 R N -1.211 119.254 120.500 -0.059 0.000 2.066 102 R HA -0.058 4.283 4.340 0.000 0.000 0.232 102 R C 2.219 178.426 176.300 -0.155 0.000 1.131 102 R CA 1.955 58.005 56.100 -0.084 0.000 0.955 102 R CB -1.008 29.251 30.300 -0.069 0.000 0.851 102 R HN 0.195 nan 8.270 nan 0.000 0.432 103 T N -0.148 114.289 114.554 -0.195 0.000 2.821 103 T HA -0.095 4.255 4.350 0.000 0.000 0.267 103 T C 1.764 176.067 174.700 -0.662 0.000 1.046 103 T CA 1.684 63.560 62.100 -0.373 0.000 1.139 103 T CB -0.243 68.443 68.868 -0.302 0.000 0.871 103 T HN 0.300 nan 8.240 nan 0.000 0.454 104 T N 1.743 116.093 114.554 -0.340 0.000 2.720 104 T HA -0.125 4.226 4.350 0.000 0.000 0.268 104 T C 1.876 176.491 174.700 -0.140 0.000 1.037 104 T CA 1.238 63.243 62.100 -0.158 0.000 1.144 104 T CB -0.266 68.649 68.868 0.079 0.000 0.864 104 T HN 0.498 nan 8.240 nan 0.000 0.444 105 E N 1.033 121.160 120.200 -0.122 0.000 2.204 105 E HA -0.142 4.208 4.350 0.000 0.000 0.195 105 E C 2.183 178.731 176.600 -0.087 0.000 0.990 105 E CA 1.270 57.632 56.400 -0.062 0.000 0.821 105 E CB -0.063 29.608 29.700 -0.049 0.000 0.750 105 E HN 0.599 nan 8.360 nan 0.000 0.477 106 S N -0.685 114.883 115.700 -0.220 0.000 2.561 106 S HA -0.089 4.381 4.470 0.000 0.000 0.225 106 S C 1.307 175.851 174.600 -0.094 0.000 0.977 106 S CA 0.195 58.282 58.200 -0.188 0.000 0.926 106 S CB -0.288 62.756 63.200 -0.259 0.000 0.769 106 S HN 0.287 nan 8.310 nan 0.000 0.533 107 Y N 1.646 121.965 120.300 0.030 0.000 2.523 107 Y HA 0.274 4.824 4.550 0.000 0.000 0.279 107 Y C 2.517 178.479 175.900 0.103 0.000 1.139 107 Y CA -0.271 57.868 58.100 0.064 0.000 1.296 107 Y CB -0.891 37.605 38.460 0.060 0.000 1.045 107 Y HN 0.400 nan 8.280 nan 0.000 0.538 108 Q N 1.072 120.988 119.800 0.194 0.000 2.077 108 Q HA -0.175 4.166 4.340 0.000 0.000 0.206 108 Q C -0.636 175.444 176.000 0.134 0.000 0.989 108 Q CA 2.293 58.181 55.803 0.142 0.000 0.853 108 Q CB -0.847 27.943 28.738 0.087 0.000 0.907 108 Q HN 0.239 nan 8.270 nan 0.000 0.418 109 P HA -0.227 nan 4.420 nan 0.000 0.215 109 P C 0.919 178.305 177.300 0.142 0.000 1.157 109 P CA 1.416 64.588 63.100 0.119 0.000 0.874 109 P CB -0.417 31.349 31.700 0.110 0.000 0.790 110 Y N 0.481 120.823 120.300 0.070 0.000 2.293 110 Y HA -0.116 4.434 4.550 0.000 0.000 0.291 110 Y C 2.366 178.290 175.900 0.040 0.000 1.137 110 Y CA 1.218 59.348 58.100 0.050 0.000 1.202 110 Y CB -0.894 37.603 38.460 0.061 0.000 0.990 110 Y HN -0.208 nan 8.280 nan 0.000 0.537 111 I N -0.581 120.043 120.570 0.089 0.000 2.233 111 I HA -0.288 3.882 4.170 0.000 0.000 0.243 111 I C 2.210 178.299 176.117 -0.046 0.000 1.093 111 I CA 1.285 62.586 61.300 0.002 0.000 1.380 111 I CB -0.369 37.681 38.000 0.083 0.000 1.067 111 I HN 0.160 nan 8.210 nan 0.000 0.413 112 I N 1.187 121.764 120.570 0.013 0.000 2.163 112 I HA -0.325 3.845 4.170 0.000 0.000 0.243 112 I C 2.680 178.839 176.117 0.070 0.000 1.085 112 I CA 2.012 63.335 61.300 0.039 0.000 1.347 112 I CB -0.439 37.622 38.000 0.101 0.000 1.044 112 I HN 0.369 nan 8.210 nan 0.000 0.408 113 E N 0.488 120.696 120.200 0.013 0.000 2.106 113 E HA -0.178 4.173 4.350 0.000 0.000 0.192 113 E C 1.892 178.440 176.600 -0.087 0.000 0.984 113 E CA 1.775 58.172 56.400 -0.006 0.000 0.806 113 E CB -0.350 29.312 29.700 -0.063 0.000 0.750 113 E HN 0.320 nan 8.360 nan 0.000 0.458 114 T N 0.580 114.978 114.554 -0.260 0.000 2.777 114 T HA -0.078 4.272 4.350 0.000 0.000 0.266 114 T C 1.966 176.633 174.700 -0.055 0.000 1.040 114 T CA 1.208 63.139 62.100 -0.281 0.000 1.141 114 T CB -0.175 68.407 68.868 -0.476 0.000 0.868 114 T HN 0.041 nan 8.240 nan 0.000 0.444 115 V N 1.410 121.302 119.914 -0.038 0.000 2.255 115 V HA -0.218 3.903 4.120 0.000 0.000 0.247 115 V C 2.501 178.621 176.094 0.044 0.000 1.051 115 V CA 1.663 64.000 62.300 0.060 0.000 1.018 115 V CB -0.650 31.166 31.823 -0.012 0.000 0.641 115 V HN 0.567 nan 8.190 nan 0.000 0.445 116 H N -0.892 118.210 119.070 0.053 0.000 2.353 116 H HA -0.192 4.365 4.556 0.000 0.000 0.300 116 H C 2.370 177.712 175.328 0.023 0.000 1.090 116 H CA 2.219 58.279 56.048 0.019 0.000 1.327 116 H CB -0.364 29.401 29.762 0.006 0.000 1.383 116 H HN 0.641 nan 8.280 nan 0.000 0.508 117 H N 0.753 119.858 119.070 0.058 0.000 2.353 117 H HA -0.058 4.498 4.556 0.000 0.000 0.300 117 H C 2.326 177.658 175.328 0.007 0.000 1.090 117 H CA 1.380 57.423 56.048 -0.008 0.000 1.327 117 H CB -0.312 29.391 29.762 -0.098 0.000 1.383 117 H HN 0.158 nan 8.280 nan 0.000 0.508 118 L N -0.353 120.852 121.223 -0.031 0.000 2.156 118 L HA -0.088 4.252 4.340 0.000 0.000 0.208 118 L C 2.283 179.136 176.870 -0.028 0.000 1.095 118 L CA 0.692 55.524 54.840 -0.014 0.000 0.770 118 L CB -0.193 41.995 42.059 0.214 0.000 0.914 118 L HN 0.313 nan 8.230 nan 0.000 0.439 119 L N -0.799 120.395 121.223 -0.047 0.000 2.313 119 L HA -0.121 4.219 4.340 0.000 0.000 0.214 119 L C 1.944 178.750 176.870 -0.106 0.000 1.119 119 L CA 0.437 55.184 54.840 -0.155 0.000 0.809 119 L CB -0.492 41.425 42.059 -0.237 0.000 0.933 119 L HN 0.227 nan 8.230 nan 0.000 0.449 120 D N 0.083 120.437 120.400 -0.077 0.000 2.144 120 D HA -0.170 4.470 4.640 0.000 0.000 0.199 120 D C 2.228 178.487 176.300 -0.070 0.000 0.984 120 D CA 1.007 54.970 54.000 -0.063 0.000 0.834 120 D CB -0.042 40.722 40.800 -0.060 0.000 0.955 120 D HN 0.379 nan 8.370 nan 0.000 0.465 121 Q N 0.155 119.889 119.800 -0.111 0.000 2.364 121 Q HA -0.043 4.297 4.340 0.000 0.000 0.207 121 Q C 1.923 177.917 176.000 -0.009 0.000 0.970 121 Q CA 0.804 56.561 55.803 -0.077 0.000 0.888 121 Q CB 0.420 29.095 28.738 -0.105 0.000 0.951 121 Q HN 0.384 nan 8.270 nan 0.000 0.469 122 V N -4.129 115.793 119.914 0.013 0.000 3.502 122 V HA 0.114 4.235 4.120 0.000 0.000 0.288 122 V C 1.871 178.087 176.094 0.202 0.000 1.461 122 V CA 0.097 62.457 62.300 0.100 0.000 1.029 122 V CB 0.347 32.243 31.823 0.122 0.000 0.843 122 V HN -0.051 nan 8.190 nan 0.000 0.438 123 Q N 2.897 122.756 119.800 0.099 0.000 2.152 123 Q HA -0.053 4.288 4.340 0.000 0.000 0.206 123 Q C 1.985 178.123 176.000 0.230 0.000 0.985 123 Q CA 2.665 58.544 55.803 0.128 0.000 0.863 123 Q CB -0.790 27.963 28.738 0.024 0.000 0.904 123 Q HN 0.695 nan 8.270 nan 0.000 0.422 124 G N -0.993 107.882 108.800 0.126 0.000 2.985 124 G HA2 -0.052 3.908 3.960 0.000 0.000 0.209 124 G HA3 -0.052 3.908 3.960 0.000 0.000 0.209 124 G C 0.913 175.834 174.900 0.034 0.000 1.165 124 G CA -0.056 45.090 45.100 0.075 0.000 0.776 124 G HN 0.248 nan 8.290 nan 0.000 0.541 125 K N 0.198 120.623 120.400 0.042 0.000 2.400 125 K HA 0.127 4.447 4.320 0.000 0.000 0.194 125 K C 1.007 177.469 176.600 -0.230 0.000 1.033 125 K CA 0.046 56.302 56.287 -0.050 0.000 1.021 125 K CB 0.138 32.636 32.500 -0.003 0.000 0.808 125 K HN 0.095 nan 8.250 nan 0.000 0.505 126 K N 0.075 120.198 120.400 -0.463 0.000 3.426 126 K HA -0.213 4.107 4.320 0.000 0.000 0.315 126 K C -0.441 175.458 176.600 -1.167 0.000 1.293 126 K CA 1.154 56.881 56.287 -0.933 0.000 0.955 126 K CB -0.847 31.409 32.500 -0.407 0.000 1.238 126 K HN 0.120 nan 8.250 nan 0.000 0.441 127 K N -0.055 119.834 120.400 -0.852 0.000 2.546 127 K HA 0.574 4.894 4.320 0.000 0.000 0.264 127 K C -1.017 175.572 176.600 -0.019 0.000 0.937 127 K CA -0.675 55.392 56.287 -0.367 0.000 0.833 127 K CB 1.997 34.385 32.500 -0.186 0.000 1.378 127 K HN 0.174 nan 8.250 nan 0.000 0.432 128 M N -0.036 119.638 119.600 0.124 0.000 2.603 128 M HA 0.436 4.916 4.480 0.000 0.000 0.275 128 M C -1.679 174.691 176.300 0.116 0.000 1.226 128 M CA -0.735 54.663 55.300 0.162 0.000 0.870 128 M CB 2.368 35.116 32.600 0.246 0.000 1.716 128 M HN 0.309 nan 8.290 nan 0.000 0.482 129 E N 2.103 122.364 120.200 0.103 0.000 2.055 129 E HA 0.294 4.644 4.350 0.000 0.000 0.274 129 E C 0.292 176.969 176.600 0.128 0.000 0.949 129 E CA -0.224 56.235 56.400 0.097 0.000 0.775 129 E CB 1.724 31.471 29.700 0.078 0.000 1.097 129 E HN 0.759 nan 8.360 nan 0.000 0.404 130 V N 5.641 125.632 119.914 0.129 0.000 2.380 130 V HA -0.294 3.826 4.120 0.000 0.000 0.251 130 V C 2.076 178.294 176.094 0.207 0.000 1.063 130 V CA 1.695 64.103 62.300 0.180 0.000 1.055 130 V CB -0.415 31.493 31.823 0.140 0.000 0.657 130 V HN 0.666 nan 8.190 nan 0.000 0.455 131 I N 0.492 121.155 120.570 0.156 0.000 2.206 131 I HA -0.151 4.019 4.170 0.000 0.000 0.239 131 I C 2.625 178.875 176.117 0.222 0.000 1.078 131 I CA 1.632 63.039 61.300 0.178 0.000 1.367 131 I CB -0.469 37.632 38.000 0.167 0.000 1.078 131 I HN 0.421 nan 8.210 nan 0.000 0.413 132 S N -0.145 115.652 115.700 0.162 0.000 2.406 132 S HA -0.108 4.363 4.470 0.000 0.000 0.228 132 S C 1.416 176.096 174.600 0.133 0.000 1.020 132 S CA 1.037 59.306 58.200 0.115 0.000 0.965 132 S CB -0.294 62.940 63.200 0.056 0.000 0.798 132 S HN 0.358 nan 8.310 nan 0.000 0.488 133 D N -0.687 119.811 120.400 0.164 0.000 2.346 133 D HA 0.297 4.938 4.640 0.000 0.000 0.206 133 D C 0.879 177.345 176.300 0.277 0.000 1.001 133 D CA 0.408 54.514 54.000 0.176 0.000 0.871 133 D CB 0.157 41.044 40.800 0.144 0.000 0.943 133 D HN 0.464 nan 8.370 nan 0.000 0.518 134 F N 0.483 120.481 119.950 0.080 0.000 1.901 134 F HA 0.376 4.903 4.527 0.000 0.000 0.239 134 F C 1.852 177.699 175.800 0.078 0.000 1.133 134 F CA 0.546 58.582 58.000 0.059 0.000 1.271 134 F CB -0.511 38.500 39.000 0.019 0.000 1.652 134 F HN -0.159 nan 8.300 nan 0.000 0.543 135 A N 0.474 123.264 122.820 -0.050 0.000 1.858 135 A HA -0.158 4.162 4.320 0.000 0.000 0.216 135 A C 2.205 179.723 177.584 -0.111 0.000 1.190 135 A CA 1.959 53.873 52.037 -0.204 0.000 0.617 135 A CB -1.598 17.362 19.000 -0.066 0.000 0.827 135 A HN 0.496 nan 8.150 nan 0.000 0.443 136 F N 0.475 120.389 119.950 -0.060 0.000 2.084 136 F HA -0.055 4.472 4.527 0.000 0.000 0.296 136 F C -0.429 175.336 175.800 -0.059 0.000 1.111 136 F CA 1.822 59.794 58.000 -0.047 0.000 1.224 136 F CB -0.582 38.416 39.000 -0.003 0.000 0.991 136 F HN 0.182 nan 8.300 nan 0.000 0.471 137 P HA -0.218 nan 4.420 nan 0.000 0.215 137 P C 1.713 179.190 177.300 0.296 0.000 1.157 137 P CA 1.280 64.527 63.100 0.244 0.000 0.874 137 P CB -0.131 31.755 31.700 0.311 0.000 0.790 138 L N -0.043 121.253 121.223 0.122 0.000 1.970 138 L HA -0.156 4.185 4.340 0.000 0.000 0.212 138 L C 2.274 179.158 176.870 0.025 0.000 1.071 138 L CA 2.461 57.322 54.840 0.035 0.000 0.751 138 L CB -1.637 40.284 42.059 -0.230 0.000 0.889 138 L HN -0.091 nan 8.230 nan 0.000 0.432 139 A N -1.590 121.176 122.820 -0.090 0.000 1.933 139 A HA -0.227 4.093 4.320 0.000 0.000 0.218 139 A C 2.525 179.978 177.584 -0.218 0.000 1.175 139 A CA 2.031 53.974 52.037 -0.156 0.000 0.628 139 A CB -1.170 17.674 19.000 -0.258 0.000 0.814 139 A HN 0.589 nan 8.150 nan 0.000 0.444 140 S N -1.441 114.117 115.700 -0.236 0.000 2.355 140 S HA -0.112 4.358 4.470 0.000 0.000 0.222 140 S C 1.727 176.230 174.600 -0.160 0.000 1.031 140 S CA 1.445 59.424 58.200 -0.368 0.000 0.993 140 S CB -0.521 62.571 63.200 -0.180 0.000 0.859 140 S HN 0.446 nan 8.310 nan 0.000 0.453 141 F N 1.463 121.423 119.950 0.016 0.000 2.134 141 F HA -0.061 4.466 4.527 0.000 0.000 0.299 141 F C 2.441 178.337 175.800 0.161 0.000 1.097 141 F CA 1.118 59.184 58.000 0.111 0.000 1.264 141 F CB -0.871 38.207 39.000 0.129 0.000 1.001 141 F HN 0.059 nan 8.300 nan 0.000 0.479 142 V N -0.355 119.738 119.914 0.300 0.000 2.261 142 V HA -0.273 3.848 4.120 0.000 0.000 0.246 142 V C 2.240 178.336 176.094 0.005 0.000 1.047 142 V CA 1.753 64.167 62.300 0.189 0.000 1.015 142 V CB -0.602 31.280 31.823 0.099 0.000 0.642 142 V HN 0.236 nan 8.190 nan 0.000 0.446 143 I N 0.408 120.974 120.570 -0.006 0.000 2.439 143 I HA -0.081 4.089 4.170 0.000 0.000 0.251 143 I C 2.341 178.493 176.117 0.060 0.000 1.139 143 I CA 1.491 62.797 61.300 0.010 0.000 1.438 143 I CB -0.550 37.471 38.000 0.036 0.000 1.085 143 I HN 0.174 nan 8.210 nan 0.000 0.427 144 A N -0.054 122.813 122.820 0.077 0.000 1.930 144 A HA -0.227 4.093 4.320 0.000 0.000 0.217 144 A C 2.279 179.905 177.584 0.070 0.000 1.175 144 A CA 1.807 53.912 52.037 0.114 0.000 0.627 144 A CB -1.002 18.053 19.000 0.092 0.000 0.815 144 A HN 0.600 nan 8.150 nan 0.000 0.443 145 N N -0.031 118.676 118.700 0.011 0.000 2.142 145 N HA -0.106 4.635 4.740 0.000 0.000 0.186 145 N C 1.741 177.172 175.510 -0.131 0.000 1.023 145 N CA 1.497 54.483 53.050 -0.107 0.000 0.852 145 N CB -0.139 38.147 38.487 -0.335 0.000 0.998 145 N HN 0.526 nan 8.380 nan 0.000 0.424 146 I N 0.817 121.291 120.570 -0.160 0.000 2.233 146 I HA -0.205 3.965 4.170 0.000 0.000 0.243 146 I C 2.168 178.255 176.117 -0.050 0.000 1.093 146 I CA 0.754 61.944 61.300 -0.184 0.000 1.380 146 I CB -0.114 37.686 38.000 -0.334 0.000 1.067 146 I HN 0.098 nan 8.210 nan 0.000 0.413 147 I N 0.345 120.934 120.570 0.032 0.000 2.252 147 I HA -0.148 4.022 4.170 0.000 0.000 0.245 147 I C 1.555 177.749 176.117 0.127 0.000 1.102 147 I CA 1.441 62.809 61.300 0.113 0.000 1.385 147 I CB -0.421 37.710 38.000 0.218 0.000 1.064 147 I HN 0.477 nan 8.210 nan 0.000 0.414 148 G N 0.608 109.477 108.800 0.116 0.000 2.155 148 G HA2 -0.146 3.814 3.960 0.000 0.000 0.135 148 G HA3 -0.146 3.814 3.960 0.000 0.000 0.135 148 G C -0.109 174.877 174.900 0.143 0.000 1.023 148 G CA -0.422 44.740 45.100 0.104 0.000 0.688 148 G HN 0.078 nan 8.290 nan 0.000 0.499 149 V N 1.574 121.593 119.914 0.175 0.000 2.432 149 V HA 0.384 4.505 4.120 0.000 0.000 0.271 149 V C -1.229 174.941 176.094 0.126 0.000 1.046 149 V CA -1.399 61.016 62.300 0.191 0.000 0.945 149 V CB 1.153 33.105 31.823 0.214 0.000 0.992 149 V HN 0.183 nan 8.190 nan 0.000 0.471 150 P HA 0.063 nan 4.420 nan 0.000 0.266 150 P C 0.817 178.157 177.300 0.067 0.000 1.193 150 P CA 0.058 63.211 63.100 0.088 0.000 0.770 150 P CB 0.640 32.394 31.700 0.089 0.000 0.836 151 E N 0.980 121.225 120.200 0.075 0.000 2.204 151 E HA -0.222 4.128 4.350 0.000 0.000 0.195 151 E C 1.127 177.743 176.600 0.026 0.000 0.990 151 E CA 1.208 57.655 56.400 0.079 0.000 0.821 151 E CB -0.031 29.752 29.700 0.139 0.000 0.750 151 E HN 0.550 nan 8.360 nan 0.000 0.477 152 E N 0.582 120.794 120.200 0.021 0.000 2.208 152 E HA -0.104 4.246 4.350 0.000 0.000 0.193 152 E C 0.851 177.416 176.600 -0.058 0.000 0.988 152 E CA 0.800 57.196 56.400 -0.006 0.000 0.828 152 E CB 0.172 29.880 29.700 0.013 0.000 0.763 152 E HN 0.142 nan 8.360 nan 0.000 0.478 153 D N -0.224 120.134 120.400 -0.071 0.000 2.368 153 D HA 0.080 4.720 4.640 0.000 0.000 0.218 153 D C 1.278 177.408 176.300 -0.283 0.000 1.112 153 D CA 0.015 53.896 54.000 -0.198 0.000 0.834 153 D CB 0.269 40.971 40.800 -0.163 0.000 0.953 153 D HN 0.034 nan 8.370 nan 0.000 0.505 154 R N 0.751 121.139 120.500 -0.187 0.000 2.090 154 R HA -0.095 4.245 4.340 0.000 0.000 0.228 154 R C 1.884 178.046 176.300 -0.230 0.000 1.110 154 R CA 0.982 56.972 56.100 -0.183 0.000 0.973 154 R CB 0.271 30.454 30.300 -0.195 0.000 0.869 154 R HN -0.067 nan 8.270 nan 0.000 0.440 155 E N -0.088 119.962 120.200 -0.251 0.000 2.150 155 E HA -0.222 4.129 4.350 0.000 0.000 0.193 155 E C 1.796 178.169 176.600 -0.379 0.000 0.985 155 E CA 1.170 57.412 56.400 -0.262 0.000 0.814 155 E CB 0.113 29.688 29.700 -0.210 0.000 0.752 155 E HN 0.205 nan 8.360 nan 0.000 0.466 156 Q N -0.037 119.447 119.800 -0.526 0.000 2.167 156 Q HA -0.033 4.307 4.340 0.000 0.000 0.202 156 Q C 1.958 177.229 176.000 -1.216 0.000 0.970 156 Q CA 1.097 56.371 55.803 -0.882 0.000 0.855 156 Q CB -0.156 27.972 28.738 -1.017 0.000 0.911 156 Q HN 0.388 nan 8.270 nan 0.000 0.438 157 L N 0.123 120.850 121.223 -0.827 0.000 2.083 157 L HA -0.196 4.144 4.340 0.000 0.000 0.209 157 L C 2.436 179.060 176.870 -0.409 0.000 1.083 157 L CA 1.507 56.048 54.840 -0.498 0.000 0.752 157 L CB -0.352 41.598 42.059 -0.181 0.000 0.899 157 L HN 0.275 nan 8.230 nan 0.000 0.433 158 K N 0.162 120.357 120.400 -0.342 0.000 2.063 158 K HA -0.271 4.049 4.320 0.000 0.000 0.208 158 K C 2.001 178.485 176.600 -0.194 0.000 1.048 158 K CA 1.794 57.943 56.287 -0.230 0.000 0.928 158 K CB -0.016 32.371 32.500 -0.187 0.000 0.713 158 K HN 0.257 nan 8.250 nan 0.000 0.442 159 E N -0.634 119.412 120.200 -0.258 0.000 2.072 159 E HA -0.179 4.171 4.350 0.000 0.000 0.191 159 E C 1.715 178.326 176.600 0.018 0.000 0.985 159 E CA 1.151 57.459 56.400 -0.153 0.000 0.801 159 E CB -0.015 29.553 29.700 -0.220 0.000 0.750 159 E HN 0.405 nan 8.360 nan 0.000 0.452 160 W N 0.397 121.645 121.300 -0.087 0.000 2.355 160 W HA -0.056 4.605 4.660 0.000 0.000 0.309 160 W C 2.411 178.898 176.519 -0.052 0.000 1.206 160 W CA 0.956 58.269 57.345 -0.053 0.000 1.284 160 W CB -1.278 28.161 29.460 -0.036 0.000 1.145 160 W HN 0.186 nan 8.180 nan 0.000 0.502 161 A N 0.590 123.480 122.820 0.116 0.000 1.877 161 A HA -0.032 4.288 4.320 0.000 0.000 0.216 161 A C 2.247 179.861 177.584 0.049 0.000 1.186 161 A CA 2.886 54.941 52.037 0.029 0.000 0.620 161 A CB -1.192 17.714 19.000 -0.157 0.000 0.822 161 A HN 0.139 nan 8.150 nan 0.000 0.443 162 A N -1.004 121.852 122.820 0.061 0.000 2.015 162 A HA -0.045 4.276 4.320 0.000 0.000 0.219 162 A C 2.438 180.055 177.584 0.055 0.000 1.163 162 A CA 2.107 54.186 52.037 0.069 0.000 0.646 162 A CB -0.677 18.367 19.000 0.073 0.000 0.806 162 A HN 0.600 nan 8.150 nan 0.000 0.448 163 S N -0.799 114.943 115.700 0.069 0.000 2.406 163 S HA 0.054 4.524 4.470 0.000 0.000 0.224 163 S C 1.826 176.459 174.600 0.054 0.000 1.030 163 S CA 0.913 59.152 58.200 0.065 0.000 0.958 163 S CB -0.346 62.908 63.200 0.090 0.000 0.811 163 S HN 0.478 nan 8.310 nan 0.000 0.489 164 L N 0.669 121.933 121.223 0.068 0.000 2.240 164 L HA 0.158 4.498 4.340 0.000 0.000 0.211 164 L C 2.288 179.194 176.870 0.060 0.000 1.106 164 L CA 0.428 55.304 54.840 0.060 0.000 0.793 164 L CB -0.356 41.746 42.059 0.073 0.000 0.927 164 L HN 0.334 nan 8.230 nan 0.000 0.446 165 I N -0.026 120.566 120.570 0.037 0.000 2.361 165 I HA -0.295 3.875 4.170 0.000 0.000 0.251 165 I C 2.436 178.590 176.117 0.062 0.000 1.133 165 I CA 1.583 62.884 61.300 0.002 0.000 1.413 165 I CB -0.092 37.821 38.000 -0.144 0.000 1.073 165 I HN 0.276 nan 8.210 nan 0.000 0.424 166 Q N -0.690 119.144 119.800 0.057 0.000 2.297 166 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 166 Q C 1.972 178.017 176.000 0.075 0.000 0.962 166 Q CA 1.765 57.615 55.803 0.078 0.000 0.879 166 Q CB -0.287 28.481 28.738 0.050 0.000 0.947 166 Q HN 0.687 nan 8.270 nan 0.000 0.462 167 T N -1.600 112.985 114.554 0.052 0.000 3.072 167 T HA 0.006 4.356 4.350 0.000 0.000 0.266 167 T C 1.504 176.230 174.700 0.042 0.000 1.127 167 T CA 0.476 62.583 62.100 0.012 0.000 1.107 167 T CB 0.054 68.910 68.868 -0.020 0.000 0.910 167 T HN 0.116 nan 8.240 nan 0.000 0.513 168 I N 0.309 120.952 120.570 0.121 0.000 4.070 168 I HA 0.269 4.439 4.170 0.000 0.000 0.328 168 I C 0.809 177.045 176.117 0.199 0.000 1.298 168 I CA -0.210 61.183 61.300 0.156 0.000 1.173 168 I CB -0.579 37.582 38.000 0.269 0.000 1.051 168 I HN 0.328 nan 8.210 nan 0.000 0.409 169 D N 0.590 121.123 120.400 0.222 0.000 2.313 169 D HA 0.046 4.686 4.640 0.000 0.000 0.247 169 D C 0.851 177.305 176.300 0.256 0.000 1.094 169 D CA -0.371 53.786 54.000 0.261 0.000 0.925 169 D CB 1.837 42.803 40.800 0.277 0.000 1.188 169 D HN -0.149 nan 8.370 nan 0.000 0.430 170 F N 0.711 120.647 119.950 -0.023 0.000 2.202 170 F HA -0.169 4.358 4.527 0.000 0.000 0.301 170 F C 2.631 178.382 175.800 -0.081 0.000 1.082 170 F CA 1.344 59.310 58.000 -0.056 0.000 1.313 170 F CB -0.900 38.076 39.000 -0.040 0.000 1.024 170 F HN 0.413 nan 8.300 nan 0.000 0.495 171 T N -1.133 113.432 114.554 0.018 0.000 3.148 171 T HA -0.006 4.345 4.350 0.000 0.000 0.253 171 T C 0.871 175.552 174.700 -0.031 0.000 1.134 171 T CA -0.504 61.522 62.100 -0.123 0.000 1.051 171 T CB -0.698 68.049 68.868 -0.203 0.000 0.959 171 T HN 0.274 nan 8.240 nan 0.000 0.525 172 R N 1.689 122.203 120.500 0.022 0.000 2.679 172 R HA 0.395 4.735 4.340 0.000 0.000 0.268 172 R C -0.230 176.068 176.300 -0.003 0.000 1.044 172 R CA -0.193 55.915 56.100 0.013 0.000 1.105 172 R CB 0.213 30.522 30.300 0.016 0.000 0.989 172 R HN 0.310 nan 8.270 nan 0.000 0.447 173 S N 1.407 117.098 115.700 -0.016 0.000 2.715 173 S HA 0.343 4.813 4.470 0.000 0.000 0.307 173 S C 0.755 175.345 174.600 -0.017 0.000 1.119 173 S CA -1.183 57.010 58.200 -0.012 0.000 0.937 173 S CB 2.055 65.249 63.200 -0.009 0.000 1.150 173 S HN 0.741 nan 8.310 nan 0.000 0.521 174 R N 0.548 121.057 120.500 0.016 0.000 2.105 174 R HA -0.069 4.271 4.340 0.000 0.000 0.239 174 R C 2.201 178.520 176.300 0.033 0.000 1.135 174 R CA 1.667 57.802 56.100 0.058 0.000 0.967 174 R CB -0.361 29.991 30.300 0.086 0.000 0.861 174 R HN 0.684 nan 8.270 nan 0.000 0.442 175 K N 0.351 120.762 120.400 0.017 0.000 2.057 175 K HA -0.084 4.236 4.320 0.000 0.000 0.206 175 K C 2.043 178.636 176.600 -0.012 0.000 1.050 175 K CA 1.266 57.562 56.287 0.014 0.000 0.935 175 K CB -0.037 32.472 32.500 0.014 0.000 0.715 175 K HN 0.175 nan 8.250 nan 0.000 0.439 176 A N 1.040 123.841 122.820 -0.032 0.000 1.930 176 A HA -0.093 4.227 4.320 0.000 0.000 0.217 176 A C 2.020 179.539 177.584 -0.108 0.000 1.175 176 A CA 1.084 53.094 52.037 -0.045 0.000 0.627 176 A CB -0.411 18.570 19.000 -0.031 0.000 0.815 176 A HN 0.273 nan 8.150 nan 0.000 0.443 177 L N -0.913 120.179 121.223 -0.219 0.000 2.179 177 L HA -0.091 4.249 4.340 0.000 0.000 0.208 177 L C 2.661 179.270 176.870 -0.434 0.000 1.096 177 L CA 1.450 55.987 54.840 -0.504 0.000 0.779 177 L CB -0.683 40.772 42.059 -1.007 0.000 0.922 177 L HN 0.326 nan 8.230 nan 0.000 0.443 178 T N -0.968 113.503 114.554 -0.139 0.000 2.737 178 T HA -0.221 4.129 4.350 0.000 0.000 0.265 178 T C 1.757 176.480 174.700 0.037 0.000 1.038 178 T CA 1.334 63.479 62.100 0.076 0.000 1.144 178 T CB -0.102 68.841 68.868 0.126 0.000 0.866 178 T HN 0.350 nan 8.240 nan 0.000 0.434 179 E N 0.745 120.950 120.200 0.008 0.000 2.077 179 E HA -0.129 4.221 4.350 0.000 0.000 0.193 179 E C 2.472 179.081 176.600 0.014 0.000 0.989 179 E CA 1.182 57.594 56.400 0.020 0.000 0.800 179 E CB -0.458 29.253 29.700 0.019 0.000 0.746 179 E HN 0.519 nan 8.360 nan 0.000 0.452 180 G N 0.849 109.634 108.800 -0.025 0.000 2.440 180 G HA2 -0.355 3.605 3.960 0.000 0.000 0.218 180 G HA3 -0.355 3.605 3.960 0.000 0.000 0.218 180 G C 1.485 176.379 174.900 -0.010 0.000 1.154 180 G CA 1.027 46.111 45.100 -0.026 0.000 0.767 180 G HN 0.314 nan 8.290 nan 0.000 0.552 181 N N 0.220 118.923 118.700 0.006 0.000 2.166 181 N HA -0.039 4.701 4.740 0.000 0.000 0.186 181 N C 2.177 177.709 175.510 0.037 0.000 1.019 181 N CA 1.000 54.085 53.050 0.058 0.000 0.856 181 N CB -0.196 38.384 38.487 0.154 0.000 0.993 181 N HN 0.413 nan 8.380 nan 0.000 0.426 182 I N -0.109 120.483 120.570 0.037 0.000 2.252 182 I HA -0.233 3.937 4.170 0.000 0.000 0.245 182 I C 1.898 178.015 176.117 -0.000 0.000 1.102 182 I CA 0.792 62.110 61.300 0.031 0.000 1.385 182 I CB -0.197 37.833 38.000 0.050 0.000 1.064 182 I HN 0.248 nan 8.210 nan 0.000 0.414 183 M N 0.293 119.891 119.600 -0.004 0.000 2.229 183 M HA -0.087 4.393 4.480 0.000 0.000 0.264 183 M C 2.575 178.711 176.300 -0.273 0.000 1.063 183 M CA 1.523 56.774 55.300 -0.082 0.000 1.114 183 M CB -1.291 31.340 32.600 0.052 0.000 1.387 183 M HN 0.292 nan 8.290 nan 0.000 0.420 184 A N 0.217 122.957 122.820 -0.133 0.000 1.902 184 A HA -0.066 4.254 4.320 0.000 0.000 0.217 184 A C 2.457 179.964 177.584 -0.128 0.000 1.181 184 A CA 1.583 53.550 52.037 -0.117 0.000 0.623 184 A CB -0.926 18.062 19.000 -0.019 0.000 0.818 184 A HN 0.275 nan 8.150 nan 0.000 0.443 185 V N 0.006 119.869 119.914 -0.086 0.000 2.287 185 V HA -0.344 3.776 4.120 0.000 0.000 0.248 185 V C 2.684 178.707 176.094 -0.117 0.000 1.053 185 V CA 2.371 64.634 62.300 -0.061 0.000 1.027 185 V CB -0.959 30.854 31.823 -0.018 0.000 0.646 185 V HN 0.643 nan 8.190 nan 0.000 0.447 186 Q N -0.381 119.304 119.800 -0.191 0.000 2.050 186 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 186 Q C 2.441 178.082 176.000 -0.598 0.000 0.980 186 Q CA 1.810 57.480 55.803 -0.222 0.000 0.840 186 Q CB -0.422 28.292 28.738 -0.040 0.000 0.898 186 Q HN 0.673 nan 8.270 nan 0.000 0.424 187 A N 0.660 122.783 122.820 -1.163 0.000 1.902 187 A HA -0.215 4.105 4.320 0.000 0.000 0.217 187 A C 2.035 179.491 177.584 -0.214 0.000 1.181 187 A CA 1.626 52.919 52.037 -1.240 0.000 0.623 187 A CB -0.470 17.993 19.000 -0.896 0.000 0.818 187 A HN 0.358 nan 8.150 nan 0.000 0.443 188 M N 0.153 119.682 119.600 -0.117 0.000 2.175 188 M HA 0.025 4.505 4.480 0.000 0.000 0.264 188 M C 2.094 178.440 176.300 0.077 0.000 1.063 188 M CA 1.680 57.010 55.300 0.051 0.000 1.119 188 M CB -0.525 32.097 32.600 0.037 0.000 1.377 188 M HN 0.358 nan 8.290 nan 0.000 0.415 189 A N -1.131 121.704 122.820 0.025 0.000 1.930 189 A HA -0.186 4.134 4.320 0.000 0.000 0.217 189 A C 2.133 179.768 177.584 0.085 0.000 1.175 189 A CA 1.655 53.723 52.037 0.052 0.000 0.627 189 A CB -1.306 17.721 19.000 0.045 0.000 0.815 189 A HN 0.705 nan 8.150 nan 0.000 0.443 190 Y N -0.869 119.420 120.300 -0.019 0.000 2.163 190 Y HA -0.163 4.387 4.550 0.000 0.000 0.288 190 Y C 1.860 177.728 175.900 -0.054 0.000 1.136 190 Y CA 1.888 59.980 58.100 -0.013 0.000 1.147 190 Y CB -0.376 38.136 38.460 0.087 0.000 0.987 190 Y HN 0.248 nan 8.280 nan 0.000 0.509 191 F N 0.622 120.619 119.950 0.079 0.000 2.325 191 F HA -0.048 4.479 4.527 0.000 0.000 0.299 191 F C 2.247 178.015 175.800 -0.054 0.000 1.090 191 F CA 1.310 59.311 58.000 0.001 0.000 1.392 191 F CB -0.378 38.691 39.000 0.115 0.000 1.053 191 F HN -0.055 nan 8.300 nan 0.000 0.521 192 K N 0.082 120.561 120.400 0.132 0.000 2.057 192 K HA -0.230 4.090 4.320 0.000 0.000 0.207 192 K C 2.083 178.682 176.600 -0.001 0.000 1.049 192 K CA 1.650 57.975 56.287 0.064 0.000 0.931 192 K CB -0.243 32.290 32.500 0.056 0.000 0.714 192 K HN 0.281 nan 8.250 nan 0.000 0.440 193 E N 0.690 120.853 120.200 -0.062 0.000 2.072 193 E HA -0.197 4.154 4.350 0.000 0.000 0.191 193 E C 1.979 178.496 176.600 -0.139 0.000 0.985 193 E CA 0.732 57.072 56.400 -0.101 0.000 0.801 193 E CB 0.066 29.690 29.700 -0.127 0.000 0.750 193 E HN 0.067 nan 8.360 nan 0.000 0.452 194 L N 0.975 122.047 121.223 -0.251 0.000 2.131 194 L HA -0.103 4.237 4.340 0.000 0.000 0.210 194 L C 2.018 178.865 176.870 -0.038 0.000 1.092 194 L CA 1.339 56.057 54.840 -0.202 0.000 0.759 194 L CB -0.247 41.615 42.059 -0.328 0.000 0.903 194 L HN 0.230 nan 8.230 nan 0.000 0.435 195 I N -1.074 119.502 120.570 0.010 0.000 2.315 195 I HA -0.261 3.910 4.170 0.000 0.000 0.248 195 I C 2.299 178.424 176.117 0.013 0.000 1.117 195 I CA 0.604 61.927 61.300 0.037 0.000 1.404 195 I CB -0.263 37.771 38.000 0.058 0.000 1.071 195 I HN 0.318 nan 8.210 nan 0.000 0.419 196 Q N 0.949 120.748 119.800 -0.003 0.000 2.124 196 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 196 Q C 2.109 178.103 176.000 -0.009 0.000 0.977 196 Q CA 1.468 57.267 55.803 -0.008 0.000 0.850 196 Q CB -0.362 28.369 28.738 -0.011 0.000 0.901 196 Q HN 0.517 nan 8.270 nan 0.000 0.429 197 K N 0.116 120.513 120.400 -0.004 0.000 2.057 197 K HA -0.022 4.298 4.320 0.000 0.000 0.206 197 K C 2.022 178.646 176.600 0.040 0.000 1.050 197 K CA 0.644 56.943 56.287 0.021 0.000 0.935 197 K CB 0.065 32.577 32.500 0.020 0.000 0.715 197 K HN 0.003 nan 8.250 nan 0.000 0.439 198 R N 1.155 121.674 120.500 0.032 0.000 2.193 198 R HA -0.009 4.332 4.340 0.000 0.000 0.213 198 R C 1.933 178.246 176.300 0.021 0.000 1.055 198 R CA 0.796 56.921 56.100 0.042 0.000 0.995 198 R CB -0.144 30.183 30.300 0.045 0.000 0.893 198 R HN 0.211 nan 8.270 nan 0.000 0.459 199 K N 0.767 121.168 120.400 0.001 0.000 2.057 199 K HA -0.110 4.211 4.320 0.000 0.000 0.206 199 K C 2.153 178.719 176.600 -0.056 0.000 1.050 199 K CA 1.122 57.398 56.287 -0.018 0.000 0.935 199 K CB 0.090 32.580 32.500 -0.017 0.000 0.715 199 K HN -0.009 nan 8.250 nan 0.000 0.439 200 R N -0.651 119.792 120.500 -0.096 0.000 2.062 200 R HA -0.047 4.293 4.340 0.000 0.000 0.226 200 R C 0.140 176.215 176.300 -0.374 0.000 1.125 200 R CA 0.982 56.935 56.100 -0.245 0.000 0.966 200 R CB 0.260 30.391 30.300 -0.282 0.000 0.861 200 R HN 0.189 nan 8.270 nan 0.000 0.433 201 H N 1.027 120.099 119.070 0.004 0.000 2.675 201 H HA 0.307 4.863 4.556 0.000 0.000 0.258 201 H C -2.398 172.934 175.328 0.006 0.000 1.271 201 H CA -2.603 53.448 56.048 0.005 0.000 1.462 201 H CB 1.403 31.168 29.762 0.004 0.000 1.467 201 H HN 0.252 nan 8.280 nan 0.000 0.501 202 P HA 0.018 nan 4.420 nan 0.000 0.268 202 P C 0.114 177.452 177.300 0.063 0.000 1.205 202 P CA -0.048 63.090 63.100 0.064 0.000 0.771 202 P CB 1.621 33.346 31.700 0.040 0.000 0.858 203 Q N 1.143 120.972 119.800 0.048 0.000 2.814 203 Q HA 0.269 4.609 4.340 0.000 0.000 0.283 203 Q C -0.013 176.001 176.000 0.024 0.000 1.071 203 Q CA -0.849 54.975 55.803 0.035 0.000 0.849 203 Q CB 0.873 29.632 28.738 0.035 0.000 1.437 203 Q HN 0.451 nan 8.270 nan 0.000 0.492 204 Q N 1.771 121.580 119.800 0.015 0.000 3.247 204 Q HA 0.082 4.422 4.340 0.000 0.000 0.326 204 Q C -1.249 174.756 176.000 0.009 0.000 1.402 204 Q CA 0.075 55.883 55.803 0.009 0.000 0.994 204 Q CB -0.200 28.540 28.738 0.003 0.000 1.647 204 Q HN 0.423 nan 8.270 nan 0.000 0.523 205 D N -1.641 118.768 120.400 0.015 0.000 2.652 205 D HA 0.064 4.704 4.640 0.000 0.000 0.285 205 D C 0.438 176.747 176.300 0.015 0.000 1.173 205 D CA -0.756 53.254 54.000 0.016 0.000 0.981 205 D CB 0.351 41.169 40.800 0.031 0.000 1.440 205 D HN 0.070 nan 8.370 nan 0.000 0.485 206 M N -0.183 119.426 119.600 0.015 0.000 2.200 206 M HA 0.056 4.536 4.480 0.000 0.000 0.265 206 M C 1.545 177.864 176.300 0.031 0.000 1.066 206 M CA 1.160 56.465 55.300 0.008 0.000 1.127 206 M CB -0.219 32.380 32.600 -0.002 0.000 1.379 206 M HN 0.468 nan 8.290 nan 0.000 0.420 207 I N -0.279 120.325 120.570 0.058 0.000 2.151 207 I HA -0.333 3.838 4.170 0.000 0.000 0.243 207 I C 2.282 178.426 176.117 0.045 0.000 1.080 207 I CA 1.464 62.803 61.300 0.066 0.000 1.339 207 I CB -0.499 37.566 38.000 0.109 0.000 1.039 207 I HN 0.260 nan 8.210 nan 0.000 0.409 208 S N 0.388 116.112 115.700 0.040 0.000 2.368 208 S HA -0.213 4.258 4.470 0.000 0.000 0.225 208 S C 1.999 176.610 174.600 0.018 0.000 1.030 208 S CA 1.487 59.704 58.200 0.029 0.000 0.999 208 S CB -0.361 62.856 63.200 0.029 0.000 0.844 208 S HN 0.433 nan 8.310 nan 0.000 0.459 209 M N 0.680 120.288 119.600 0.014 0.000 2.117 209 M HA -0.116 4.365 4.480 0.000 0.000 0.262 209 M C 1.645 177.950 176.300 0.007 0.000 1.065 209 M CA 1.415 56.718 55.300 0.005 0.000 1.114 209 M CB -0.210 32.387 32.600 -0.004 0.000 1.361 209 M HN 0.228 nan 8.290 nan 0.000 0.408 210 L N 0.470 121.701 121.223 0.013 0.000 2.093 210 L HA -0.147 4.193 4.340 0.000 0.000 0.208 210 L C 2.170 179.046 176.870 0.011 0.000 1.085 210 L CA 1.592 56.440 54.840 0.013 0.000 0.755 210 L CB -0.829 41.240 42.059 0.016 0.000 0.904 210 L HN 0.342 nan 8.230 nan 0.000 0.435 211 L N -1.357 119.874 121.223 0.014 0.000 2.217 211 L HA -0.130 4.210 4.340 0.000 0.000 0.211 211 L C 1.475 178.349 176.870 0.007 0.000 1.107 211 L CA 0.557 55.404 54.840 0.012 0.000 0.783 211 L CB -0.288 41.781 42.059 0.015 0.000 0.919 211 L HN 0.127 nan 8.230 nan 0.000 0.442 219 L N 1.294 122.516 121.223 -0.001 0.000 2.526 219 L HA 0.468 4.808 4.340 0.000 0.000 0.263 219 L C -0.684 176.190 176.870 0.007 0.000 0.943 219 L CA -0.058 54.783 54.840 0.001 0.000 0.859 219 L CB 2.325 44.383 42.059 -0.001 0.000 1.313 219 L HN 0.840 nan 8.230 nan 0.000 0.406 220 T N -0.575 113.985 114.554 0.011 0.000 2.813 220 T HA 0.223 4.573 4.350 0.000 0.000 0.297 220 T C 0.828 175.540 174.700 0.020 0.000 1.036 220 T CA -0.195 61.916 62.100 0.018 0.000 1.044 220 T CB 0.722 69.606 68.868 0.027 0.000 0.993 220 T HN 0.724 nan 8.240 nan 0.000 0.535 221 E N 0.157 120.373 120.200 0.027 0.000 2.268 221 E HA -0.114 4.236 4.350 0.000 0.000 0.195 221 E C 2.083 178.707 176.600 0.040 0.000 0.995 221 E CA 0.939 57.359 56.400 0.032 0.000 0.836 221 E CB 0.063 29.783 29.700 0.033 0.000 0.763 221 E HN 0.747 nan 8.360 nan 0.000 0.491 222 E N 0.556 120.784 120.200 0.048 0.000 2.112 222 E HA -0.132 4.219 4.350 0.000 0.000 0.190 222 E C 1.782 178.393 176.600 0.018 0.000 0.979 222 E CA 0.540 56.976 56.400 0.059 0.000 0.814 222 E CB 0.094 29.862 29.700 0.113 0.000 0.762 222 E HN 0.284 nan 8.360 nan 0.000 0.460 223 E N 0.716 120.919 120.200 0.005 0.000 2.150 223 E HA -0.147 4.203 4.350 0.000 0.000 0.193 223 E C 2.011 178.599 176.600 -0.021 0.000 0.985 223 E CA 0.796 57.188 56.400 -0.015 0.000 0.814 223 E CB -0.020 29.676 29.700 -0.008 0.000 0.752 223 E HN 0.172 nan 8.360 nan 0.000 0.466 224 A N 1.309 124.123 122.820 -0.011 0.000 1.930 224 A HA -0.061 4.259 4.320 0.000 0.000 0.217 224 A C 2.347 179.895 177.584 -0.060 0.000 1.175 224 A CA 1.502 53.527 52.037 -0.019 0.000 0.627 224 A CB -0.479 18.524 19.000 0.005 0.000 0.815 224 A HN 0.290 nan 8.150 nan 0.000 0.443 225 A N 0.420 123.217 122.820 -0.038 0.000 1.898 225 A HA -0.076 4.244 4.320 0.000 0.000 0.216 225 A C 2.498 179.974 177.584 -0.180 0.000 1.181 225 A CA 2.261 54.252 52.037 -0.077 0.000 0.620 225 A CB -0.958 18.079 19.000 0.062 0.000 0.819 225 A HN 0.905 nan 8.150 nan 0.000 0.442 226 S N -0.825 114.820 115.700 -0.091 0.000 2.402 226 S HA -0.128 4.342 4.470 0.000 0.000 0.229 226 S C 1.809 176.349 174.600 -0.100 0.000 1.021 226 S CA 1.720 59.871 58.200 -0.082 0.000 0.974 226 S CB -1.086 62.085 63.200 -0.048 0.000 0.800 226 S HN 0.492 nan 8.310 nan 0.000 0.484 227 T N 1.804 116.300 114.554 -0.097 0.000 2.708 227 T HA -0.104 4.246 4.350 0.000 0.000 0.266 227 T C 2.038 176.664 174.700 -0.124 0.000 1.037 227 T CA 1.521 63.574 62.100 -0.078 0.000 1.146 227 T CB -0.905 67.938 68.868 -0.042 0.000 0.865 227 T HN 0.547 nan 8.240 nan 0.000 0.435 228 C N 0.821 119.964 119.300 -0.261 0.000 2.429 228 C HA 0.028 4.488 4.460 0.000 0.000 0.277 228 C C 2.672 177.402 174.990 -0.434 0.000 1.262 228 C CA 0.163 58.922 59.018 -0.432 0.000 1.733 228 C CB -1.281 25.906 27.740 -0.922 0.000 2.010 228 C HN 0.539 nan 8.230 nan 0.000 0.483 229 I N 0.440 120.745 120.570 -0.442 0.000 2.226 229 I HA -0.205 3.965 4.170 0.000 0.000 0.245 229 I C 2.475 178.583 176.117 -0.016 0.000 1.100 229 I CA 1.208 62.423 61.300 -0.141 0.000 1.374 229 I CB -0.537 37.425 38.000 -0.063 0.000 1.057 229 I HN 0.286 nan 8.210 nan 0.000 0.413 230 L N 0.929 122.131 121.223 -0.035 0.000 1.989 230 L HA -0.204 4.136 4.340 0.000 0.000 0.211 230 L C 2.278 179.158 176.870 0.017 0.000 1.071 230 L CA 1.963 56.801 54.840 -0.004 0.000 0.749 230 L CB -0.593 41.447 42.059 -0.032 0.000 0.890 230 L HN 0.133 nan 8.230 nan 0.000 0.431 231 L N -0.548 120.686 121.223 0.017 0.000 2.141 231 L HA -0.128 4.212 4.340 0.000 0.000 0.209 231 L C 2.683 179.629 176.870 0.127 0.000 1.094 231 L CA 0.990 55.868 54.840 0.064 0.000 0.763 231 L CB -0.952 41.183 42.059 0.127 0.000 0.908 231 L HN 0.411 nan 8.230 nan 0.000 0.437 232 A N 0.518 123.428 122.820 0.150 0.000 1.902 232 A HA -0.163 4.158 4.320 0.000 0.000 0.217 232 A C 2.210 179.958 177.584 0.273 0.000 1.181 232 A CA 1.512 53.708 52.037 0.265 0.000 0.623 232 A CB -0.587 18.593 19.000 0.301 0.000 0.818 232 A HN 0.346 nan 8.150 nan 0.000 0.443 233 I N -0.282 120.376 120.570 0.146 0.000 2.202 233 I HA -0.234 3.936 4.170 0.000 0.000 0.242 233 I C 2.967 179.138 176.117 0.090 0.000 1.091 233 I CA 1.030 62.389 61.300 0.097 0.000 1.368 233 I CB -0.398 37.641 38.000 0.064 0.000 1.058 233 I HN 0.332 nan 8.210 nan 0.000 0.410 234 A N 1.054 123.920 122.820 0.075 0.000 1.902 234 A HA -0.129 4.191 4.320 0.000 0.000 0.217 234 A C 2.441 180.058 177.584 0.054 0.000 1.181 234 A CA 1.950 54.018 52.037 0.052 0.000 0.623 234 A CB -1.469 17.549 19.000 0.029 0.000 0.818 234 A HN 0.468 nan 8.150 nan 0.000 0.443 235 G N -1.528 107.326 108.800 0.090 0.000 2.422 235 G HA2 -0.146 3.814 3.960 0.000 0.000 0.218 235 G HA3 -0.146 3.814 3.960 0.000 0.000 0.218 235 G C 1.353 176.224 174.900 -0.047 0.000 1.146 235 G CA 1.337 46.465 45.100 0.047 0.000 0.769 235 G HN 0.669 nan 8.290 nan 0.000 0.547 236 H N 0.138 119.173 119.070 -0.058 0.000 2.266 236 H HA 0.121 4.678 4.556 0.000 0.000 0.309 236 H C 2.699 177.834 175.328 -0.322 0.000 1.054 236 H CA 1.229 57.172 56.048 -0.175 0.000 1.328 236 H CB -0.028 29.728 29.762 -0.009 0.000 1.407 236 H HN 0.092 nan 8.280 nan 0.000 0.508 237 E N 0.066 120.225 120.200 -0.068 0.000 2.012 237 E HA -0.164 4.187 4.350 0.000 0.000 0.197 237 E C 2.407 178.905 176.600 -0.171 0.000 1.007 237 E CA 2.078 58.374 56.400 -0.173 0.000 0.816 237 E CB -0.809 28.765 29.700 -0.210 0.000 0.762 237 E HN 0.651 nan 8.360 nan 0.000 0.451 238 T N -1.254 113.244 114.554 -0.093 0.000 2.857 238 T HA -0.062 4.288 4.350 0.000 0.000 0.266 238 T C 2.081 176.767 174.700 -0.022 0.000 1.048 238 T CA 1.730 63.823 62.100 -0.011 0.000 1.139 238 T CB -0.652 68.265 68.868 0.083 0.000 0.874 238 T HN -0.009 nan 8.240 nan 0.000 0.455 239 T N 1.990 116.516 114.554 -0.047 0.000 2.821 239 T HA -0.008 4.342 4.350 0.000 0.000 0.267 239 T C 2.154 176.785 174.700 -0.116 0.000 1.046 239 T CA 1.058 63.127 62.100 -0.051 0.000 1.139 239 T CB -0.611 68.226 68.868 -0.053 0.000 0.871 239 T HN 0.236 nan 8.240 nan 0.000 0.454 240 V N 2.777 122.560 119.914 -0.217 0.000 2.332 240 V HA -0.216 3.905 4.120 0.000 0.000 0.248 240 V C 2.412 178.425 176.094 -0.135 0.000 1.055 240 V CA 1.608 63.751 62.300 -0.262 0.000 1.038 240 V CB -0.655 30.845 31.823 -0.538 0.000 0.651 240 V HN 0.459 nan 8.190 nan 0.000 0.450 241 N N 0.064 118.707 118.700 -0.094 0.000 2.120 241 N HA -0.130 4.611 4.740 0.000 0.000 0.188 241 N C 1.664 177.169 175.510 -0.010 0.000 1.024 241 N CA 1.245 54.283 53.050 -0.021 0.000 0.852 241 N CB -0.581 37.921 38.487 0.026 0.000 1.003 241 N HN 0.397 nan 8.380 nan 0.000 0.424 242 L N 1.389 122.601 121.223 -0.018 0.000 2.012 242 L HA -0.038 4.302 4.340 0.000 0.000 0.210 242 L C 1.918 178.783 176.870 -0.009 0.000 1.073 242 L CA 1.349 56.181 54.840 -0.012 0.000 0.748 242 L CB -0.726 41.334 42.059 0.001 0.000 0.891 242 L HN 0.080 nan 8.230 nan 0.000 0.431 243 I N -0.579 119.976 120.570 -0.025 0.000 2.142 243 I HA -0.312 3.858 4.170 0.000 0.000 0.240 243 I C 2.604 178.724 176.117 0.004 0.000 1.078 243 I CA 1.627 62.917 61.300 -0.017 0.000 1.343 243 I CB -0.658 37.298 38.000 -0.074 0.000 1.046 243 I HN 0.467 nan 8.210 nan 0.000 0.405 244 S N 0.760 116.455 115.700 -0.007 0.000 2.383 244 S HA -0.124 4.347 4.470 0.000 0.000 0.227 244 S C 1.851 176.431 174.600 -0.034 0.000 1.026 244 S CA 1.074 59.271 58.200 -0.004 0.000 0.981 244 S CB -0.572 62.626 63.200 -0.003 0.000 0.818 244 S HN 0.363 nan 8.310 nan 0.000 0.472 245 N N 2.131 120.819 118.700 -0.021 0.000 2.166 245 N HA 0.014 4.754 4.740 0.000 0.000 0.186 245 N C 1.923 177.406 175.510 -0.045 0.000 1.019 245 N CA 1.503 54.540 53.050 -0.023 0.000 0.856 245 N CB -0.798 37.702 38.487 0.022 0.000 0.993 245 N HN 0.487 nan 8.380 nan 0.000 0.426 246 S N 0.181 115.870 115.700 -0.019 0.000 2.368 246 S HA -0.041 4.429 4.470 0.000 0.000 0.225 246 S C 2.233 176.815 174.600 -0.030 0.000 1.030 246 S CA 0.701 58.897 58.200 -0.007 0.000 0.999 246 S CB -0.244 62.974 63.200 0.030 0.000 0.844 246 S HN 0.084 nan 8.310 nan 0.000 0.459 247 V N 1.944 121.845 119.914 -0.022 0.000 2.295 247 V HA -0.143 3.978 4.120 0.000 0.000 0.246 247 V C 2.264 178.302 176.094 -0.094 0.000 1.049 247 V CA 1.578 63.862 62.300 -0.028 0.000 1.024 247 V CB -0.681 31.147 31.823 0.008 0.000 0.648 247 V HN 0.364 nan 8.190 nan 0.000 0.447 248 L N -0.272 120.859 121.223 -0.152 0.000 2.017 248 L HA -0.165 4.175 4.340 0.000 0.000 0.208 248 L C 2.434 179.144 176.870 -0.267 0.000 1.073 248 L CA 2.063 56.736 54.840 -0.278 0.000 0.745 248 L CB -0.936 40.889 42.059 -0.390 0.000 0.894 248 L HN 0.343 nan 8.230 nan 0.000 0.432 249 C N -0.592 118.566 119.300 -0.237 0.000 2.393 249 C HA -0.205 4.255 4.460 0.000 0.000 0.276 249 C C 2.779 177.578 174.990 -0.319 0.000 1.215 249 C CA 1.312 60.116 59.018 -0.357 0.000 1.743 249 C CB -1.090 26.326 27.740 -0.539 0.000 2.044 249 C HN 0.607 nan 8.230 nan 0.000 0.464 250 L N -0.173 120.939 121.223 -0.185 0.000 2.093 250 L HA -0.138 4.202 4.340 0.000 0.000 0.208 250 L C 2.414 179.281 176.870 -0.005 0.000 1.085 250 L CA 1.268 56.092 54.840 -0.026 0.000 0.755 250 L CB -0.471 41.608 42.059 0.035 0.000 0.904 250 L HN 0.386 nan 8.230 nan 0.000 0.435 251 L N -1.038 120.150 121.223 -0.058 0.000 2.217 251 L HA -0.164 4.176 4.340 0.000 0.000 0.211 251 L C 2.477 179.302 176.870 -0.075 0.000 1.107 251 L CA 0.935 55.744 54.840 -0.053 0.000 0.783 251 L CB -0.299 41.718 42.059 -0.069 0.000 0.919 251 L HN 0.320 nan 8.230 nan 0.000 0.442 252 Q N -0.888 118.828 119.800 -0.140 0.000 2.378 252 Q HA -0.071 4.269 4.340 0.000 0.000 0.205 252 Q C -0.157 175.606 176.000 -0.394 0.000 0.954 252 Q CA 0.692 56.357 55.803 -0.230 0.000 0.901 252 Q CB 0.240 28.805 28.738 -0.287 0.000 0.981 252 Q HN 0.569 nan 8.270 nan 0.000 0.483 253 H N -0.440 118.578 119.070 -0.087 0.000 2.423 253 H HA 0.130 4.686 4.556 0.000 0.000 0.237 253 H C -1.848 173.492 175.328 0.020 0.000 1.391 253 H CA -1.913 54.126 56.048 -0.015 0.000 1.453 253 H CB 0.844 30.623 29.762 0.028 0.000 1.484 253 H HN 0.042 nan 8.280 nan 0.000 0.505 254 P HA -0.138 nan 4.420 nan 0.000 0.228 254 P C 0.312 177.653 177.300 0.069 0.000 1.151 254 P CA 0.928 64.063 63.100 0.058 0.000 0.770 254 P CB 0.578 32.297 31.700 0.032 0.000 0.786 255 E N 0.641 120.896 120.200 0.091 0.000 2.166 255 E HA -0.078 4.272 4.350 0.000 0.000 0.192 255 E C 1.400 178.036 176.600 0.061 0.000 0.967 255 E CA 0.486 56.928 56.400 0.070 0.000 0.840 255 E CB -0.669 29.073 29.700 0.071 0.000 0.795 255 E HN 0.405 nan 8.360 nan 0.000 0.470 256 Q N 0.977 120.830 119.800 0.089 0.000 2.823 256 Q HA 0.253 4.593 4.340 0.000 0.000 0.370 256 Q C 0.451 176.519 176.000 0.113 0.000 1.110 256 Q CA 0.016 55.859 55.803 0.067 0.000 0.990 256 Q CB 0.677 29.419 28.738 0.007 0.000 1.383 256 Q HN 0.223 nan 8.270 nan 0.000 0.430 257 L N -0.125 121.151 121.223 0.090 0.000 2.586 257 L HA 0.136 4.476 4.340 0.000 0.000 0.204 257 L C 1.531 178.426 176.870 0.041 0.000 1.053 257 L CA 0.567 55.449 54.840 0.068 0.000 0.856 257 L CB -0.284 41.813 42.059 0.063 0.000 1.192 257 L HN 0.324 nan 8.230 nan 0.000 0.484 258 L N 0.795 122.039 121.223 0.036 0.000 2.064 258 L HA -0.280 4.060 4.340 0.000 0.000 0.216 258 L C 2.489 179.371 176.870 0.019 0.000 1.077 258 L CA 2.341 57.196 54.840 0.025 0.000 0.766 258 L CB -0.712 41.361 42.059 0.023 0.000 0.890 258 L HN 0.411 nan 8.230 nan 0.000 0.435 259 K N -1.375 119.037 120.400 0.020 0.000 2.057 259 K HA -0.168 4.153 4.320 0.000 0.000 0.206 259 K C 2.049 178.652 176.600 0.006 0.000 1.050 259 K CA 1.512 57.804 56.287 0.008 0.000 0.935 259 K CB -0.231 32.269 32.500 -0.000 0.000 0.715 259 K HN 0.330 nan 8.250 nan 0.000 0.439 260 L N 0.846 122.077 121.223 0.013 0.000 2.179 260 L HA 0.012 4.352 4.340 0.000 0.000 0.208 260 L C 2.175 179.053 176.870 0.013 0.000 1.096 260 L CA 1.342 56.190 54.840 0.013 0.000 0.779 260 L CB -0.287 41.786 42.059 0.023 0.000 0.922 260 L HN 0.044 nan 8.230 nan 0.000 0.443 261 R N -0.303 120.206 120.500 0.015 0.000 2.075 261 R HA -0.127 4.214 4.340 0.000 0.000 0.232 261 R C 2.042 178.346 176.300 0.008 0.000 1.126 261 R CA 1.742 57.848 56.100 0.010 0.000 0.963 261 R CB -0.105 30.201 30.300 0.011 0.000 0.858 261 R HN 0.502 nan 8.270 nan 0.000 0.435 262 E N -0.491 119.714 120.200 0.008 0.000 2.285 262 E HA -0.063 4.287 4.350 0.000 0.000 0.194 262 E C 0.066 176.670 176.600 0.005 0.000 0.997 262 E CA 0.370 56.774 56.400 0.006 0.000 0.845 262 E CB 0.118 29.821 29.700 0.006 0.000 0.782 262 E HN 0.241 nan 8.360 nan 0.000 0.491 263 N N 0.147 118.850 118.700 0.005 0.000 2.640 263 N HA 0.099 4.839 4.740 0.000 0.000 0.262 263 N C -2.540 172.974 175.510 0.007 0.000 1.174 263 N CA -1.551 51.502 53.050 0.005 0.000 0.791 263 N CB 1.367 39.855 38.487 0.001 0.000 1.279 263 N HN -0.225 nan 8.380 nan 0.000 0.535 264 P HA 0.013 nan 4.420 nan 0.000 0.230 264 P C 0.423 177.731 177.300 0.014 0.000 1.158 264 P CA 0.709 63.817 63.100 0.013 0.000 0.769 264 P CB 0.381 32.090 31.700 0.015 0.000 0.807 265 D N -0.894 119.513 120.400 0.011 0.000 2.348 265 D HA 0.005 4.645 4.640 0.000 0.000 0.216 265 D C 1.510 177.815 176.300 0.009 0.000 0.970 265 D CA 0.632 54.639 54.000 0.011 0.000 0.889 265 D CB -0.127 40.678 40.800 0.009 0.000 0.912 265 D HN 0.257 nan 8.370 nan 0.000 0.524 266 L N 0.397 121.623 121.223 0.005 0.000 2.599 266 L HA 0.020 4.360 4.340 0.000 0.000 0.230 266 L C 1.993 178.865 176.870 0.004 0.000 1.141 266 L CA -0.237 54.602 54.840 -0.002 0.000 0.877 266 L CB 0.088 42.140 42.059 -0.012 0.000 1.009 266 L HN -0.056 nan 8.230 nan 0.000 0.447 267 I N 0.362 120.941 120.570 0.016 0.000 2.361 267 I HA -0.160 4.010 4.170 0.000 0.000 0.251 267 I C 2.230 178.367 176.117 0.034 0.000 1.133 267 I CA 1.476 62.792 61.300 0.027 0.000 1.413 267 I CB -0.446 37.574 38.000 0.032 0.000 1.073 267 I HN 0.138 nan 8.210 nan 0.000 0.424 268 G N -1.407 107.412 108.800 0.033 0.000 2.433 268 G HA2 -0.306 3.654 3.960 0.000 0.000 0.216 268 G HA3 -0.306 3.654 3.960 0.000 0.000 0.216 268 G C 1.682 176.609 174.900 0.045 0.000 1.186 268 G CA 1.210 46.337 45.100 0.045 0.000 0.779 268 G HN 0.395 nan 8.290 nan 0.000 0.543 269 T N 0.586 115.153 114.554 0.021 0.000 2.995 269 T HA 0.208 4.558 4.350 0.000 0.000 0.269 269 T C 2.572 177.256 174.700 -0.027 0.000 1.091 269 T CA 1.728 63.831 62.100 0.004 0.000 1.128 269 T CB -0.346 68.512 68.868 -0.017 0.000 0.891 269 T HN 0.291 nan 8.240 nan 0.000 0.492 270 A N 0.353 123.158 122.820 -0.025 0.000 1.897 270 A HA 0.086 4.406 4.320 0.000 0.000 0.215 270 A C 2.482 180.075 177.584 0.015 0.000 1.181 270 A CA 1.329 53.343 52.037 -0.038 0.000 0.620 270 A CB -0.837 18.162 19.000 -0.002 0.000 0.821 270 A HN 0.415 nan 8.150 nan 0.000 0.443 271 V N 0.442 120.382 119.914 0.044 0.000 2.427 271 V HA -0.185 3.936 4.120 0.000 0.000 0.248 271 V C 2.519 178.646 176.094 0.055 0.000 1.051 271 V CA 2.034 64.373 62.300 0.064 0.000 1.048 271 V CB -0.633 31.240 31.823 0.083 0.000 0.666 271 V HN 0.499 nan 8.190 nan 0.000 0.456 272 E N 0.003 120.248 120.200 0.075 0.000 2.106 272 E HA -0.233 4.117 4.350 0.000 0.000 0.192 272 E C 2.188 178.784 176.600 -0.007 0.000 0.984 272 E CA 1.348 57.817 56.400 0.114 0.000 0.806 272 E CB -0.156 29.667 29.700 0.205 0.000 0.750 272 E HN 0.689 nan 8.360 nan 0.000 0.458 273 E N 0.256 120.431 120.200 -0.042 0.000 2.208 273 E HA -0.083 4.267 4.350 0.000 0.000 0.193 273 E C 1.944 178.561 176.600 0.027 0.000 0.988 273 E CA 0.797 57.128 56.400 -0.116 0.000 0.828 273 E CB -0.240 29.254 29.700 -0.344 0.000 0.763 273 E HN 0.138 nan 8.360 nan 0.000 0.478 274 C N 0.001 119.366 119.300 0.110 0.000 2.446 274 C HA -0.000 4.460 4.460 0.000 0.000 0.277 274 C C 2.535 177.525 174.990 -0.000 0.000 1.275 274 C CA 0.432 59.552 59.018 0.171 0.000 1.727 274 C CB -1.043 26.774 27.740 0.129 0.000 2.010 274 C HN 0.456 nan 8.230 nan 0.000 0.486 275 L N 0.395 121.526 121.223 -0.153 0.000 2.046 275 L HA -0.161 4.179 4.340 0.000 0.000 0.208 275 L C 2.917 179.529 176.870 -0.430 0.000 1.077 275 L CA 1.528 56.137 54.840 -0.385 0.000 0.747 275 L CB -0.620 41.032 42.059 -0.678 0.000 0.896 275 L HN 0.345 nan 8.230 nan 0.000 0.432 276 R N -1.167 119.104 120.500 -0.383 0.000 2.075 276 R HA -0.214 4.127 4.340 0.000 0.000 0.232 276 R C 2.396 178.604 176.300 -0.154 0.000 1.126 276 R CA 1.623 57.558 56.100 -0.275 0.000 0.963 276 R CB -0.274 29.853 30.300 -0.289 0.000 0.858 276 R HN 0.254 nan 8.270 nan 0.000 0.435 277 Y N 0.657 120.844 120.300 -0.187 0.000 2.269 277 Y HA 0.058 4.608 4.550 0.000 0.000 0.294 277 Y C 0.267 176.068 175.900 -0.164 0.000 1.120 277 Y CA 0.951 58.953 58.100 -0.164 0.000 1.159 277 Y CB 0.724 39.199 38.460 0.025 0.000 1.024 277 Y HN -0.051 nan 8.280 nan 0.000 0.532 278 E N 0.772 120.965 120.200 -0.012 0.000 3.374 278 E HA 0.215 4.566 4.350 0.000 0.000 0.223 278 E C -0.843 175.751 176.600 -0.011 0.000 1.210 278 E CA -0.150 56.246 56.400 -0.006 0.000 0.987 278 E CB 0.816 30.540 29.700 0.040 0.000 1.322 278 E HN 0.064 nan 8.360 nan 0.000 0.404 279 S N 2.665 118.343 115.700 -0.036 0.000 2.498 279 S HA 0.064 4.534 4.470 0.000 0.000 0.281 279 S C -1.450 173.132 174.600 -0.031 0.000 1.265 279 S CA -0.863 57.287 58.200 -0.084 0.000 1.071 279 S CB 0.689 63.829 63.200 -0.099 0.000 0.894 279 S HN 0.208 nan 8.310 nan 0.000 0.491 280 P HA -0.068 nan 4.420 nan 0.000 0.216 280 P C 0.256 177.641 177.300 0.142 0.000 1.153 280 P CA 1.103 64.239 63.100 0.061 0.000 0.858 280 P CB -0.009 31.710 31.700 0.032 0.000 0.789 281 T N 0.990 115.570 114.554 0.043 0.000 2.749 281 T HA 0.175 4.526 4.350 0.000 0.000 0.287 281 T C 0.910 175.528 174.700 -0.137 0.000 0.970 281 T CA -0.360 61.708 62.100 -0.053 0.000 0.980 281 T CB 1.051 69.895 68.868 -0.040 0.000 0.924 281 T HN -0.014 nan 8.240 nan 0.000 0.456 282 Q N 2.011 121.686 119.800 -0.208 0.000 2.391 282 Q HA 0.280 4.620 4.340 0.000 0.000 0.211 282 Q C 0.287 176.174 176.000 -0.188 0.000 0.908 282 Q CA 0.521 56.231 55.803 -0.154 0.000 0.920 282 Q CB 0.611 29.294 28.738 -0.092 0.000 1.056 282 Q HN 0.626 nan 8.270 nan 0.000 0.523 283 M N -0.126 119.322 119.600 -0.253 0.000 2.378 283 M HA 0.373 4.853 4.480 0.000 0.000 0.289 283 M C -1.341 174.859 176.300 -0.168 0.000 1.136 283 M CA -0.076 55.108 55.300 -0.193 0.000 0.917 283 M CB 2.591 35.063 32.600 -0.214 0.000 1.669 283 M HN -0.112 nan 8.290 nan 0.000 0.461 284 T N 2.188 116.696 114.554 -0.078 0.000 2.831 284 T HA 0.984 5.334 4.350 0.000 0.000 0.287 284 T C -1.782 172.928 174.700 0.016 0.000 1.070 284 T CA -0.307 61.778 62.100 -0.025 0.000 1.010 284 T CB 1.900 70.751 68.868 -0.028 0.000 1.264 284 T HN 0.898 nan 8.240 nan 0.000 0.532 285 A N 1.649 124.476 122.820 0.012 0.000 2.539 285 A HA 0.918 5.238 4.320 0.000 0.000 0.296 285 A C -1.194 176.340 177.584 -0.085 0.000 1.073 285 A CA -0.778 51.225 52.037 -0.057 0.000 0.700 285 A CB 1.556 20.560 19.000 0.006 0.000 1.296 285 A HN 0.642 nan 8.150 nan 0.000 0.405 286 R N -0.108 120.308 120.500 -0.141 0.000 2.808 286 R HA 0.699 5.039 4.340 0.000 0.000 0.272 286 R C -1.619 174.668 176.300 -0.020 0.000 0.995 286 R CA -0.715 55.363 56.100 -0.036 0.000 0.917 286 R CB 1.817 32.139 30.300 0.037 0.000 1.217 286 R HN 0.713 nan 8.270 nan 0.000 0.471 287 V N 0.792 120.734 119.914 0.047 0.000 2.555 287 V HA 0.674 4.795 4.120 0.000 0.000 0.302 287 V C -0.512 175.622 176.094 0.065 0.000 1.038 287 V CA -0.719 61.610 62.300 0.049 0.000 0.887 287 V CB 1.759 33.590 31.823 0.014 0.000 0.991 287 V HN 0.882 nan 8.190 nan 0.000 0.434 288 A N 4.268 127.108 122.820 0.034 0.000 2.396 288 A HA 0.456 4.776 4.320 0.000 0.000 0.279 288 A C 1.151 178.661 177.584 -0.124 0.000 1.165 288 A CA 0.426 52.370 52.037 -0.154 0.000 0.824 288 A CB 0.408 19.310 19.000 -0.163 0.000 1.100 288 A HN 1.481 nan 8.150 nan 0.000 0.516 289 S N 1.360 116.964 115.700 -0.160 0.000 2.562 289 S HA 0.142 4.612 4.470 0.000 0.000 0.221 289 S C 0.412 174.951 174.600 -0.101 0.000 0.975 289 S CA 0.525 58.667 58.200 -0.096 0.000 0.918 289 S CB -0.415 62.740 63.200 -0.075 0.000 0.772 289 S HN 0.896 nan 8.310 nan 0.000 0.531 290 E N -0.337 119.773 120.200 -0.150 0.000 2.449 290 E HA 0.420 4.770 4.350 0.000 0.000 0.278 290 E C -2.211 174.303 176.600 -0.142 0.000 1.059 290 E CA -1.201 55.128 56.400 -0.119 0.000 0.854 290 E CB -0.164 29.473 29.700 -0.105 0.000 1.465 290 E HN -0.110 nan 8.360 nan 0.000 0.462 291 D N 0.566 120.908 120.400 -0.097 0.000 2.401 291 D HA 0.325 4.965 4.640 0.000 0.000 0.254 291 D C -0.718 175.510 176.300 -0.120 0.000 1.192 291 D CA 0.474 54.422 54.000 -0.087 0.000 0.885 291 D CB 0.406 41.178 40.800 -0.047 0.000 1.147 291 D HN 0.280 nan 8.370 nan 0.000 0.478 292 I N 2.410 122.895 120.570 -0.142 0.000 2.466 292 I HA 0.190 4.360 4.170 0.000 0.000 0.289 292 I C -0.488 175.580 176.117 -0.081 0.000 1.026 292 I CA -0.875 60.339 61.300 -0.144 0.000 1.078 292 I CB 1.902 39.728 38.000 -0.289 0.000 1.249 292 I HN 0.076 nan 8.210 nan 0.000 0.429 293 D N 8.313 128.682 120.400 -0.051 0.000 2.274 293 D HA 0.602 5.243 4.640 0.000 0.000 0.239 293 D C -0.491 175.799 176.300 -0.016 0.000 1.104 293 D CA 0.080 54.055 54.000 -0.042 0.000 0.840 293 D CB 1.864 42.647 40.800 -0.029 0.000 1.100 293 D HN 0.396 nan 8.370 nan 0.000 0.477 294 I N -2.103 118.447 120.570 -0.033 0.000 2.752 294 I HA 0.280 4.451 4.170 0.000 0.000 0.295 294 I C 0.372 176.482 176.117 -0.013 0.000 1.219 294 I CA -1.107 60.187 61.300 -0.010 0.000 1.030 294 I CB 2.045 40.052 38.000 0.012 0.000 1.259 294 I HN 0.422 nan 8.210 nan 0.000 0.423 295 C N 5.101 124.413 119.300 0.019 0.000 4.165 295 C HA -0.115 4.346 4.460 0.000 0.000 0.299 295 C C 1.682 176.744 174.990 0.120 0.000 1.445 295 C CA 1.344 60.400 59.018 0.062 0.000 2.029 295 C CB -2.414 25.373 27.740 0.079 0.000 1.288 295 C HN 2.253 nan 8.230 nan 0.000 0.752 296 G N -1.032 107.805 108.800 0.061 0.000 2.143 296 G HA2 -0.012 3.948 3.960 0.000 0.000 0.248 296 G HA3 -0.012 3.948 3.960 0.000 0.000 0.248 296 G C 0.220 175.126 174.900 0.011 0.000 0.991 296 G CA 0.595 45.732 45.100 0.062 0.000 0.689 296 G HN 2.342 nan 8.290 nan 0.000 0.522 297 V N -3.847 116.032 119.914 -0.060 0.000 3.102 297 V HA 0.962 5.082 4.120 0.000 0.000 0.312 297 V C -0.018 175.962 176.094 -0.190 0.000 1.135 297 V CA -0.462 61.742 62.300 -0.160 0.000 1.022 297 V CB 2.080 33.690 31.823 -0.356 0.000 1.056 297 V HN 0.414 nan 8.190 nan 0.000 0.436 298 T N 3.375 117.828 114.554 -0.169 0.000 2.791 298 T HA 0.643 4.993 4.350 0.000 0.000 0.288 298 T C -0.262 174.340 174.700 -0.164 0.000 0.999 298 T CA 0.008 62.032 62.100 -0.126 0.000 0.952 298 T CB 0.654 69.506 68.868 -0.027 0.000 0.938 298 T HN 0.610 nan 8.240 nan 0.000 0.444 299 I N 3.974 124.407 120.570 -0.229 0.000 2.304 299 I HA 0.346 4.517 4.170 0.000 0.000 0.291 299 I C 0.843 176.957 176.117 -0.005 0.000 1.018 299 I CA -0.716 60.494 61.300 -0.149 0.000 1.260 299 I CB 0.812 38.663 38.000 -0.249 0.000 1.390 299 I HN 0.332 nan 8.210 nan 0.000 0.475 300 R N 4.295 124.858 120.500 0.105 0.000 2.560 300 R HA 0.231 4.571 4.340 0.000 0.000 0.270 300 R C -0.009 176.313 176.300 0.037 0.000 1.074 300 R CA -0.764 55.370 56.100 0.058 0.000 1.140 300 R CB 0.730 31.081 30.300 0.084 0.000 1.073 300 R HN 0.556 nan 8.270 nan 0.000 0.527 301 Q N 0.308 120.107 119.800 -0.001 0.000 2.283 301 Q HA -0.004 4.336 4.340 0.000 0.000 0.301 301 Q C 0.653 176.663 176.000 0.017 0.000 1.063 301 Q CA 1.548 57.342 55.803 -0.015 0.000 0.952 301 Q CB 0.282 29.007 28.738 -0.022 0.000 1.166 301 Q HN 0.860 nan 8.270 nan 0.000 0.381 302 G N 2.981 111.790 108.800 0.016 0.000 2.234 302 G HA2 -0.261 3.699 3.960 0.000 0.000 0.235 302 G HA3 -0.261 3.699 3.960 0.000 0.000 0.235 302 G C -0.251 174.685 174.900 0.060 0.000 0.997 302 G CA 0.161 45.280 45.100 0.032 0.000 0.623 302 G HN 0.643 nan 8.290 nan 0.000 0.514 303 E N 1.106 121.363 120.200 0.095 0.000 2.366 303 E HA 0.411 4.761 4.350 0.000 0.000 0.266 303 E C 0.085 176.767 176.600 0.137 0.000 1.051 303 E CA -0.268 56.222 56.400 0.150 0.000 0.884 303 E CB 0.484 30.345 29.700 0.269 0.000 1.006 303 E HN 0.241 nan 8.360 nan 0.000 0.417 304 Q N 1.328 121.187 119.800 0.098 0.000 2.243 304 Q HA 0.339 4.679 4.340 0.000 0.000 0.252 304 Q C -0.736 175.172 176.000 -0.153 0.000 0.909 304 Q CA -0.441 55.310 55.803 -0.087 0.000 0.922 304 Q CB 1.797 30.459 28.738 -0.126 0.000 1.215 304 Q HN 0.237 nan 8.270 nan 0.000 0.427 305 V N 3.498 123.217 119.914 -0.326 0.000 2.487 305 V HA 0.351 4.472 4.120 0.000 0.000 0.298 305 V C -1.152 174.638 176.094 -0.506 0.000 1.028 305 V CA -0.770 61.391 62.300 -0.231 0.000 0.860 305 V CB 0.938 32.725 31.823 -0.061 0.000 0.991 305 V HN 0.608 nan 8.190 nan 0.000 0.427 306 Y N 4.976 125.196 120.300 -0.132 0.000 2.356 306 Y HA 0.606 5.156 4.550 0.000 0.000 0.334 306 Y C -0.080 175.764 175.900 -0.093 0.000 0.958 306 Y CA -0.674 57.324 58.100 -0.171 0.000 1.196 306 Y CB 1.500 39.731 38.460 -0.382 0.000 1.137 306 Y HN 0.465 nan 8.280 nan 0.000 0.485 307 L N 5.497 126.734 121.223 0.023 0.000 2.255 307 L HA 0.359 4.700 4.340 0.000 0.000 0.289 307 L C -0.562 176.279 176.870 -0.049 0.000 1.046 307 L CA -0.261 54.560 54.840 -0.032 0.000 0.816 307 L CB 0.511 42.519 42.059 -0.086 0.000 1.197 307 L HN 0.531 nan 8.230 nan 0.000 0.427 308 L N 5.239 126.419 121.223 -0.072 0.000 2.328 308 L HA 0.216 4.557 4.340 0.000 0.000 0.280 308 L C 1.163 177.899 176.870 -0.223 0.000 1.111 308 L CA -0.208 54.516 54.840 -0.193 0.000 0.909 308 L CB 0.451 42.317 42.059 -0.321 0.000 1.277 308 L HN 0.724 nan 8.230 nan 0.000 0.433 309 L N 2.049 123.171 121.223 -0.168 0.000 2.093 309 L HA -0.082 4.258 4.340 0.000 0.000 0.208 309 L C 2.505 179.313 176.870 -0.103 0.000 1.085 309 L CA 1.400 56.171 54.840 -0.115 0.000 0.755 309 L CB -0.501 41.505 42.059 -0.089 0.000 0.904 309 L HN 0.799 nan 8.230 nan 0.000 0.435 310 G N -0.249 108.469 108.800 -0.136 0.000 2.422 310 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 310 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 310 G C 1.778 176.648 174.900 -0.049 0.000 1.146 310 G CA 0.818 45.894 45.100 -0.041 0.000 0.769 310 G HN 0.457 nan 8.290 nan 0.000 0.547 311 A N 1.181 123.810 122.820 -0.320 0.000 1.898 311 A HA 0.353 4.673 4.320 0.000 0.000 0.216 311 A C 2.813 180.377 177.584 -0.034 0.000 1.181 311 A CA 2.045 53.935 52.037 -0.245 0.000 0.620 311 A CB -0.786 17.879 19.000 -0.559 0.000 0.819 311 A HN 0.742 nan 8.150 nan 0.000 0.442 312 A N 0.339 123.144 122.820 -0.025 0.000 1.933 312 A HA -0.188 4.133 4.320 0.000 0.000 0.218 312 A C 1.745 179.504 177.584 0.292 0.000 1.175 312 A CA 1.742 53.851 52.037 0.121 0.000 0.628 312 A CB -0.630 18.392 19.000 0.035 0.000 0.814 312 A HN 0.517 nan 8.150 nan 0.000 0.444 313 N N -0.312 118.482 118.700 0.158 0.000 2.573 313 N HA -0.054 4.686 4.740 0.000 0.000 0.187 313 N C 0.936 176.396 175.510 -0.082 0.000 1.107 313 N CA 0.568 53.649 53.050 0.052 0.000 0.918 313 N CB -0.093 38.339 38.487 -0.092 0.000 0.966 313 N HN 0.358 nan 8.380 nan 0.000 0.448 314 R N 0.317 120.844 120.500 0.046 0.000 2.546 314 R HA 0.116 4.457 4.340 0.000 0.000 0.320 314 R C -0.370 176.012 176.300 0.137 0.000 1.021 314 R CA -0.247 55.876 56.100 0.039 0.000 1.088 314 R CB -0.000 30.301 30.300 0.002 0.000 1.278 314 R HN 0.085 nan 8.270 nan 0.000 0.557 315 D N 2.961 123.498 120.400 0.229 0.000 2.346 315 D HA 0.040 4.680 4.640 0.000 0.000 0.260 315 D C -1.364 175.012 176.300 0.126 0.000 1.252 315 D CA -1.836 52.264 54.000 0.166 0.000 0.895 315 D CB 1.572 42.480 40.800 0.180 0.000 1.097 315 D HN -0.004 nan 8.370 nan 0.000 0.489 316 P HA -0.095 nan 4.420 nan 0.000 0.234 316 P C 0.938 178.230 177.300 -0.014 0.000 1.167 316 P CA 0.509 63.636 63.100 0.045 0.000 0.763 316 P CB 0.138 31.859 31.700 0.035 0.000 0.835 317 S N -1.976 113.698 115.700 -0.044 0.000 2.558 317 S HA 0.069 4.539 4.470 0.000 0.000 0.217 317 S C 1.587 176.065 174.600 -0.203 0.000 0.975 317 S CA 0.130 58.274 58.200 -0.093 0.000 0.912 317 S CB -0.550 62.611 63.200 -0.066 0.000 0.776 317 S HN -0.069 nan 8.310 nan 0.000 0.526 318 I N -0.622 119.757 120.570 -0.319 0.000 3.812 318 I HA 0.401 4.571 4.170 0.000 0.000 0.292 318 I C -0.530 175.132 176.117 -0.758 0.000 1.206 318 I CA 0.113 60.999 61.300 -0.690 0.000 1.370 318 I CB -0.667 36.584 38.000 -1.249 0.000 1.328 318 I HN 0.197 nan 8.210 nan 0.000 0.453 319 F N 2.907 122.760 119.950 -0.161 0.000 2.375 319 F HA 0.326 4.853 4.527 0.000 0.000 0.361 319 F C 0.838 176.598 175.800 -0.067 0.000 1.117 319 F CA -1.104 56.834 58.000 -0.103 0.000 1.037 319 F CB 0.830 39.785 39.000 -0.075 0.000 1.192 319 F HN -0.134 nan 8.300 nan 0.000 0.452 320 T N 0.728 115.324 114.554 0.069 0.000 2.916 320 T HA 0.110 4.460 4.350 0.000 0.000 0.303 320 T C 0.312 175.047 174.700 0.057 0.000 1.025 320 T CA -0.736 61.387 62.100 0.039 0.000 1.142 320 T CB 0.246 69.116 68.868 0.004 0.000 0.947 320 T HN 0.616 nan 8.240 nan 0.000 0.544 321 N N 2.181 120.908 118.700 0.045 0.000 2.642 321 N HA -0.112 4.628 4.740 0.000 0.000 0.269 321 N C -1.843 173.706 175.510 0.064 0.000 1.073 321 N CA 0.503 53.581 53.050 0.046 0.000 0.748 321 N CB -0.787 37.718 38.487 0.030 0.000 0.894 321 N HN 0.594 nan 8.380 nan 0.000 0.548 322 P HA -0.072 nan 4.420 nan 0.000 0.223 322 P C 0.446 177.790 177.300 0.075 0.000 1.151 322 P CA 1.024 64.174 63.100 0.082 0.000 0.787 322 P CB 0.337 32.093 31.700 0.093 0.000 0.788 323 D N -0.475 119.979 120.400 0.090 0.000 2.328 323 D HA 0.066 4.706 4.640 0.000 0.000 0.221 323 D C 0.330 176.798 176.300 0.279 0.000 1.072 323 D CA 0.168 54.258 54.000 0.149 0.000 0.850 323 D CB 0.384 41.229 40.800 0.075 0.000 0.922 323 D HN 0.065 nan 8.370 nan 0.000 0.516 324 V N 1.824 121.829 119.914 0.151 0.000 2.407 324 V HA 0.147 4.267 4.120 0.000 0.000 0.278 324 V C -0.159 175.844 176.094 -0.152 0.000 1.037 324 V CA -0.872 61.452 62.300 0.041 0.000 0.900 324 V CB 1.155 32.983 31.823 0.008 0.000 0.983 324 V HN -0.034 nan 8.190 nan 0.000 0.459 325 F N 5.150 124.725 119.950 -0.625 0.000 2.434 325 F HA 0.466 4.993 4.527 0.000 0.000 0.358 325 F C -0.003 175.476 175.800 -0.536 0.000 1.136 325 F CA -0.424 56.986 58.000 -0.983 0.000 1.157 325 F CB 0.454 38.447 39.000 -1.678 0.000 1.167 325 F HN 0.555 nan 8.300 nan 0.000 0.539 326 D N 6.408 126.326 120.400 -0.804 0.000 2.421 326 D HA 0.158 4.798 4.640 0.000 0.000 0.254 326 D C 0.795 176.726 176.300 -0.616 0.000 1.238 326 D CA -0.456 53.203 54.000 -0.568 0.000 0.919 326 D CB 0.606 41.236 40.800 -0.285 0.000 1.152 326 D HN 0.552 nan 8.370 nan 0.000 0.552 327 I N 0.675 120.855 120.570 -0.650 0.000 3.176 327 I HA 0.045 4.215 4.170 0.000 0.000 0.275 327 I C 1.406 177.376 176.117 -0.243 0.000 1.298 327 I CA 0.635 61.651 61.300 -0.474 0.000 1.445 327 I CB -0.069 37.719 38.000 -0.353 0.000 1.075 327 I HN 0.261 nan 8.210 nan 0.000 0.482 328 T N 0.814 115.248 114.554 -0.201 0.000 3.107 328 T HA 0.148 4.499 4.350 0.000 0.000 0.249 328 T C 0.897 175.543 174.700 -0.091 0.000 1.096 328 T CA -0.390 61.640 62.100 -0.116 0.000 1.012 328 T CB -0.306 68.508 68.868 -0.090 0.000 0.977 328 T HN 0.327 nan 8.240 nan 0.000 0.527 329 R N 1.852 122.283 120.500 -0.114 0.000 2.480 329 R HA 0.200 4.541 4.340 0.000 0.000 0.303 329 R C -0.823 175.469 176.300 -0.013 0.000 0.985 329 R CA 0.340 56.406 56.100 -0.057 0.000 1.051 329 R CB 0.035 30.299 30.300 -0.061 0.000 0.935 329 R HN 0.206 nan 8.270 nan 0.000 0.410 330 S N 4.985 120.686 115.700 0.001 0.000 2.603 330 S HA 0.468 4.938 4.470 0.000 0.000 0.274 330 S C -2.267 172.337 174.600 0.006 0.000 1.168 330 S CA -1.251 56.955 58.200 0.010 0.000 0.963 330 S CB 1.192 64.391 63.200 -0.002 0.000 1.078 330 S HN 0.645 nan 8.310 nan 0.000 0.477 331 P HA 0.536 nan 4.420 nan 0.000 0.293 331 P C -1.225 176.127 177.300 0.086 0.000 1.304 331 P CA -0.658 62.463 63.100 0.034 0.000 0.767 331 P CB 0.488 32.199 31.700 0.018 0.000 1.247 332 N N 0.727 119.501 118.700 0.124 0.000 2.762 332 N HA 0.198 4.939 4.740 0.000 0.000 0.252 332 N C -2.436 173.206 175.510 0.220 0.000 1.269 332 N CA -1.439 51.760 53.050 0.248 0.000 0.799 332 N CB 0.725 39.352 38.487 0.234 0.000 1.173 332 N HN 0.172 nan 8.380 nan 0.000 0.516 333 P HA 0.116 nan 4.420 nan 0.000 0.226 333 P C -0.315 177.196 177.300 0.352 0.000 1.758 333 P CA -0.234 62.960 63.100 0.156 0.000 0.896 333 P CB -1.003 30.757 31.700 0.100 0.000 1.784 334 H N -0.973 118.342 119.070 0.408 0.000 2.822 334 H HA 0.145 4.701 4.556 0.000 0.000 0.373 334 H C 0.496 175.962 175.328 0.230 0.000 1.223 334 H CA -0.457 55.789 56.048 0.330 0.000 1.436 334 H CB 0.354 30.162 29.762 0.077 0.000 1.439 334 H HN 0.002 nan 8.280 nan 0.000 0.618 335 L N 1.537 122.949 121.223 0.315 0.000 2.965 335 L HA 0.181 4.521 4.340 0.000 0.000 0.254 335 L C 1.308 178.264 176.870 0.143 0.000 1.220 335 L CA -0.053 54.869 54.840 0.137 0.000 1.023 335 L CB 0.138 42.163 42.059 -0.055 0.000 1.355 335 L HN 0.674 nan 8.230 nan 0.000 0.545 336 S N -0.002 115.835 115.700 0.229 0.000 2.419 336 S HA -0.035 4.435 4.470 0.000 0.000 0.233 336 S C 1.345 175.847 174.600 -0.163 0.000 1.016 336 S CA 1.368 59.520 58.200 -0.080 0.000 0.974 336 S CB -0.131 62.852 63.200 -0.362 0.000 0.786 336 S HN 0.423 nan 8.310 nan 0.000 0.492 337 F N 1.328 121.390 119.950 0.186 0.000 2.693 337 F HA 0.348 4.875 4.527 0.000 0.000 0.303 337 F C 1.630 177.483 175.800 0.089 0.000 1.097 337 F CA 0.044 58.117 58.000 0.122 0.000 1.330 337 F CB 0.029 39.107 39.000 0.129 0.000 1.067 337 F HN 0.329 nan 8.300 nan 0.000 0.565 338 G N 0.432 109.358 108.800 0.210 0.000 2.584 338 G HA2 -0.208 3.753 3.960 0.000 0.000 0.229 338 G HA3 -0.208 3.753 3.960 0.000 0.000 0.229 338 G C -1.304 173.723 174.900 0.211 0.000 1.320 338 G CA -0.355 44.838 45.100 0.154 0.000 0.891 338 G HN 0.496 nan 8.290 nan 0.000 0.573 339 H N -1.168 117.918 119.070 0.027 0.000 3.121 339 H HA 0.652 5.208 4.556 0.000 0.000 0.337 339 H C 0.562 175.882 175.328 -0.014 0.000 1.198 339 H CA 1.925 57.967 56.048 -0.010 0.000 1.274 339 H CB 1.058 30.782 29.762 -0.065 0.000 1.954 339 H HN 2.621 nan 8.280 nan 0.000 0.531 340 G N 1.805 110.337 108.800 -0.447 0.000 2.499 340 G HA2 -0.294 3.667 3.960 0.000 0.000 0.232 340 G HA3 -0.294 3.667 3.960 0.000 0.000 0.232 340 G C 0.602 175.394 174.900 -0.180 0.000 1.251 340 G CA 0.502 45.386 45.100 -0.360 0.000 0.917 340 G HN 0.823 nan 8.290 nan 0.000 0.580 341 H N -0.236 118.799 119.070 -0.058 0.000 2.423 341 H HA 0.052 4.609 4.556 0.000 0.000 0.297 341 H C 1.916 177.176 175.328 -0.112 0.000 1.075 341 H CA 1.356 57.356 56.048 -0.080 0.000 1.342 341 H CB 0.048 29.730 29.762 -0.134 0.000 1.395 341 H HN 0.470 nan 8.280 nan 0.000 0.530 342 H N -0.226 118.893 119.070 0.081 0.000 2.517 342 H HA 0.107 4.663 4.556 0.000 0.000 0.282 342 H C 0.296 175.657 175.328 0.055 0.000 1.023 342 H CA -0.136 55.943 56.048 0.051 0.000 1.169 342 H CB 0.025 29.753 29.762 -0.056 0.000 1.454 342 H HN 0.094 nan 8.280 nan 0.000 0.556 343 V N 1.750 121.737 119.914 0.120 0.000 2.814 343 V HA -0.143 3.977 4.120 0.000 0.000 0.307 343 V C 0.856 176.995 176.094 0.075 0.000 1.089 343 V CA -0.129 62.228 62.300 0.095 0.000 1.212 343 V CB 0.341 32.188 31.823 0.041 0.000 0.912 343 V HN 0.583 nan 8.190 nan 0.000 0.497 344 C N 7.178 126.540 119.300 0.102 0.000 2.334 344 C HA -0.042 4.418 4.460 0.000 0.000 0.395 344 C C 1.598 176.540 174.990 -0.081 0.000 1.507 344 C CA 0.499 59.546 59.018 0.049 0.000 1.494 344 C CB -1.110 26.730 27.740 0.167 0.000 2.509 344 C HN 1.006 nan 8.230 nan 0.000 0.599 345 L N 5.698 126.842 121.223 -0.132 0.000 2.179 345 L HA 0.244 4.584 4.340 0.000 0.000 0.208 345 L C 2.095 178.755 176.870 -0.351 0.000 1.096 345 L CA 2.291 56.998 54.840 -0.222 0.000 0.779 345 L CB -0.473 41.417 42.059 -0.282 0.000 0.922 345 L HN 0.889 nan 8.230 nan 0.000 0.443 346 G N -1.874 106.683 108.800 -0.404 0.000 3.707 346 G HA2 0.096 4.056 3.960 0.000 0.000 0.286 346 G HA3 0.096 4.056 3.960 0.000 0.000 0.286 346 G C 1.263 176.053 174.900 -0.184 0.000 1.112 346 G CA 0.506 45.394 45.100 -0.354 0.000 0.861 346 G HN 0.439 nan 8.290 nan 0.000 0.534 347 S N -0.071 115.424 115.700 -0.342 0.000 2.399 347 S HA -0.114 4.356 4.470 0.000 0.000 0.231 347 S C 2.313 176.680 174.600 -0.389 0.000 1.022 347 S CA 1.598 59.347 58.200 -0.753 0.000 0.983 347 S CB -0.205 62.261 63.200 -1.225 0.000 0.803 347 S HN 0.153 nan 8.310 nan 0.000 0.480 348 S N 1.859 117.459 115.700 -0.166 0.000 2.368 348 S HA 0.073 4.543 4.470 0.000 0.000 0.224 348 S C 1.728 176.363 174.600 0.058 0.000 1.029 348 S CA 1.098 59.280 58.200 -0.030 0.000 0.988 348 S CB -0.585 62.628 63.200 0.020 0.000 0.838 348 S HN 0.473 nan 8.310 nan 0.000 0.462 349 L N 2.033 123.328 121.223 0.121 0.000 2.027 349 L HA 0.045 4.386 4.340 0.000 0.000 0.206 349 L C 2.326 179.269 176.870 0.122 0.000 1.074 349 L CA 1.878 56.827 54.840 0.182 0.000 0.745 349 L CB -1.058 41.171 42.059 0.283 0.000 0.898 349 L HN 0.226 nan 8.230 nan 0.000 0.433 350 A N -0.242 122.638 122.820 0.101 0.000 1.883 350 A HA -0.242 4.078 4.320 0.000 0.000 0.217 350 A C 2.433 180.107 177.584 0.149 0.000 1.186 350 A CA 1.973 54.092 52.037 0.137 0.000 0.624 350 A CB -0.598 18.549 19.000 0.245 0.000 0.822 350 A HN 0.517 nan 8.150 nan 0.000 0.444 351 R N -1.320 119.270 120.500 0.150 0.000 2.081 351 R HA -0.113 4.228 4.340 0.000 0.000 0.235 351 R C 2.141 178.503 176.300 0.103 0.000 1.131 351 R CA 1.469 57.657 56.100 0.148 0.000 0.960 351 R CB -0.535 29.841 30.300 0.127 0.000 0.856 351 R HN 0.490 nan 8.270 nan 0.000 0.436 352 L N 1.487 122.766 121.223 0.093 0.000 2.027 352 L HA -0.143 4.197 4.340 0.000 0.000 0.206 352 L C 1.861 178.775 176.870 0.072 0.000 1.074 352 L CA 1.803 56.695 54.840 0.086 0.000 0.745 352 L CB -0.287 41.836 42.059 0.106 0.000 0.898 352 L HN 0.125 nan 8.230 nan 0.000 0.433 353 E N -0.559 119.681 120.200 0.067 0.000 2.058 353 E HA -0.254 4.096 4.350 0.000 0.000 0.194 353 E C 2.138 178.741 176.600 0.006 0.000 0.997 353 E CA 1.257 57.673 56.400 0.026 0.000 0.801 353 E CB -0.304 29.401 29.700 0.009 0.000 0.746 353 E HN 0.659 nan 8.360 nan 0.000 0.450 354 A N 1.024 123.863 122.820 0.030 0.000 1.898 354 A HA -0.237 4.084 4.320 0.000 0.000 0.216 354 A C 2.047 179.659 177.584 0.046 0.000 1.181 354 A CA 1.347 53.403 52.037 0.031 0.000 0.620 354 A CB -0.428 18.606 19.000 0.055 0.000 0.819 354 A HN 0.167 nan 8.150 nan 0.000 0.442 355 Q N -0.500 119.334 119.800 0.056 0.000 2.050 355 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 355 Q C 2.045 178.073 176.000 0.047 0.000 0.980 355 Q CA 1.743 57.579 55.803 0.054 0.000 0.840 355 Q CB -0.320 28.453 28.738 0.058 0.000 0.898 355 Q HN 0.740 nan 8.270 nan 0.000 0.424 356 I N 0.306 120.901 120.570 0.041 0.000 2.202 356 I HA -0.258 3.912 4.170 0.000 0.000 0.242 356 I C 2.407 178.548 176.117 0.040 0.000 1.091 356 I CA 0.870 62.189 61.300 0.031 0.000 1.368 356 I CB -0.390 37.625 38.000 0.026 0.000 1.058 356 I HN 0.174 nan 8.210 nan 0.000 0.410 357 A N 1.064 123.915 122.820 0.052 0.000 1.877 357 A HA -0.181 4.140 4.320 0.000 0.000 0.216 357 A C 2.280 180.007 177.584 0.238 0.000 1.186 357 A CA 1.658 53.790 52.037 0.157 0.000 0.620 357 A CB -0.807 18.161 19.000 -0.053 0.000 0.822 357 A HN 0.378 nan 8.150 nan 0.000 0.443 358 I N -0.552 120.096 120.570 0.131 0.000 2.233 358 I HA -0.193 3.978 4.170 0.000 0.000 0.243 358 I C 2.259 178.406 176.117 0.050 0.000 1.093 358 I CA 1.119 62.480 61.300 0.100 0.000 1.380 358 I CB -0.423 37.622 38.000 0.075 0.000 1.067 358 I HN 0.242 nan 8.210 nan 0.000 0.413 359 N N 0.522 119.245 118.700 0.039 0.000 2.104 359 N HA -0.147 4.593 4.740 0.000 0.000 0.190 359 N C 1.845 177.351 175.510 -0.006 0.000 1.024 359 N CA 1.880 54.941 53.050 0.018 0.000 0.853 359 N CB -0.452 38.048 38.487 0.023 0.000 1.008 359 N HN 0.271 nan 8.380 nan 0.000 0.424 360 T N 1.125 115.667 114.554 -0.019 0.000 2.777 360 T HA -0.090 4.261 4.350 0.000 0.000 0.266 360 T C 1.943 176.570 174.700 -0.120 0.000 1.040 360 T CA 0.590 62.643 62.100 -0.080 0.000 1.141 360 T CB -0.377 68.383 68.868 -0.180 0.000 0.868 360 T HN 0.115 nan 8.240 nan 0.000 0.444 361 L N 1.108 122.255 121.223 -0.127 0.000 2.012 361 L HA -0.016 4.324 4.340 0.000 0.000 0.210 361 L C 2.128 178.892 176.870 -0.178 0.000 1.073 361 L CA 1.682 56.375 54.840 -0.245 0.000 0.748 361 L CB -0.636 41.284 42.059 -0.232 0.000 0.891 361 L HN 0.246 nan 8.230 nan 0.000 0.431 362 L N -1.132 120.037 121.223 -0.090 0.000 2.201 362 L HA -0.144 4.196 4.340 0.000 0.000 0.212 362 L C 2.607 179.445 176.870 -0.054 0.000 1.105 362 L CA 0.549 55.353 54.840 -0.060 0.000 0.775 362 L CB -0.640 41.406 42.059 -0.021 0.000 0.913 362 L HN 0.369 nan 8.230 nan 0.000 0.440 363 Q N 0.126 119.896 119.800 -0.051 0.000 2.083 363 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 363 Q C 2.238 178.209 176.000 -0.047 0.000 0.969 363 Q CA 1.360 57.144 55.803 -0.031 0.000 0.838 363 Q CB -0.033 28.701 28.738 -0.006 0.000 0.900 363 Q HN 0.481 nan 8.270 nan 0.000 0.436 364 R N -0.726 119.718 120.500 -0.092 0.000 2.254 364 R HA 0.171 4.511 4.340 0.000 0.000 0.195 364 R C 0.198 176.393 176.300 -0.175 0.000 0.957 364 R CA 0.257 56.287 56.100 -0.115 0.000 1.024 364 R CB 0.459 30.678 30.300 -0.136 0.000 0.952 364 R HN 0.125 nan 8.270 nan 0.000 0.484 365 M N 0.803 120.278 119.600 -0.207 0.000 2.182 365 M HA 0.292 4.772 4.480 0.000 0.000 0.285 365 M C -2.341 173.920 176.300 -0.064 0.000 0.956 365 M CA -2.471 52.706 55.300 -0.205 0.000 0.878 365 M CB 0.951 33.303 32.600 -0.413 0.000 1.373 365 M HN -0.271 nan 8.290 nan 0.000 0.393 366 P HA -0.039 nan 4.420 nan 0.000 0.223 366 P C 0.994 178.309 177.300 0.025 0.000 1.151 366 P CA 1.018 64.120 63.100 0.004 0.000 0.787 366 P CB 0.442 32.148 31.700 0.011 0.000 0.788 367 S N -0.773 114.960 115.700 0.055 0.000 2.525 367 S HA 0.252 4.722 4.470 0.000 0.000 0.242 367 S C -0.030 174.625 174.600 0.091 0.000 1.164 367 S CA -0.693 57.545 58.200 0.064 0.000 1.154 367 S CB -1.042 62.196 63.200 0.064 0.000 0.875 367 S HN -0.128 nan 8.310 nan 0.000 0.482 368 L N 3.045 124.315 121.223 0.079 0.000 2.462 368 L HA 0.428 4.768 4.340 0.000 0.000 0.272 368 L C -0.336 176.576 176.870 0.070 0.000 1.166 368 L CA 0.859 55.756 54.840 0.095 0.000 0.880 368 L CB 0.203 42.283 42.059 0.035 0.000 1.142 368 L HN 0.350 nan 8.230 nan 0.000 0.473 369 N N 3.054 121.802 118.700 0.081 0.000 2.357 369 N HA 0.546 5.286 4.740 0.000 0.000 0.284 369 N C -1.441 174.104 175.510 0.060 0.000 1.236 369 N CA -0.752 52.332 53.050 0.056 0.000 0.774 369 N CB 1.520 40.034 38.487 0.045 0.000 1.534 369 N HN 0.477 nan 8.380 nan 0.000 0.478 370 L N 1.696 122.955 121.223 0.060 0.000 2.380 370 L HA 0.517 4.858 4.340 0.000 0.000 0.273 370 L C 0.678 177.603 176.870 0.092 0.000 1.138 370 L CA -0.194 54.698 54.840 0.086 0.000 0.832 370 L CB 0.699 42.836 42.059 0.129 0.000 1.124 370 L HN 0.626 nan 8.230 nan 0.000 0.454 376 R N 1.278 121.820 120.500 0.069 0.000 2.599 376 R HA 0.567 4.907 4.340 0.000 0.000 0.295 376 R C -1.544 174.719 176.300 -0.062 0.000 0.963 376 R CA -1.145 54.980 56.100 0.043 0.000 0.883 376 R CB 2.200 32.531 30.300 0.051 0.000 1.171 376 R HN 0.559 nan 8.270 nan 0.000 0.450 377 Y N 1.304 121.674 120.300 0.117 0.000 2.334 377 Y HA 0.330 4.880 4.550 0.000 0.000 0.328 377 Y C 0.780 176.745 175.900 0.108 0.000 1.130 377 Y CA -0.620 57.541 58.100 0.102 0.000 1.163 377 Y CB 1.121 39.624 38.460 0.072 0.000 1.207 377 Y HN 0.251 nan 8.280 nan 0.000 0.471 378 R N 3.940 124.594 120.500 0.255 0.000 2.698 378 R HA 0.058 4.398 4.340 0.000 0.000 0.266 378 R C -2.123 174.325 176.300 0.246 0.000 1.026 378 R CA -1.328 54.895 56.100 0.206 0.000 1.102 378 R CB -0.003 30.403 30.300 0.176 0.000 0.978 378 R HN 0.408 nan 8.270 nan 0.000 0.436 379 P HA 0.027 nan 4.420 nan 0.000 0.232 379 P C -0.971 176.473 177.300 0.240 0.000 1.738 379 P CA 0.524 63.760 63.100 0.227 0.000 0.948 379 P CB -0.004 31.775 31.700 0.132 0.000 1.943 380 L N 0.563 121.993 121.223 0.344 0.000 2.362 380 L HA 0.410 4.750 4.340 0.000 0.000 0.275 380 L C 0.971 178.182 176.870 0.569 0.000 0.998 380 L CA -0.934 54.138 54.840 0.386 0.000 0.820 380 L CB 1.431 43.718 42.059 0.380 0.000 1.270 380 L HN -0.083 nan 8.230 nan 0.000 0.415 381 F N 0.909 120.945 119.950 0.143 0.000 2.530 381 F HA 0.168 4.695 4.527 0.000 0.000 0.292 381 F C 2.045 177.832 175.800 -0.022 0.000 1.109 381 F CA 0.295 58.351 58.000 0.093 0.000 1.450 381 F CB -0.222 38.778 39.000 -0.001 0.000 1.114 381 F HN 0.590 nan 8.300 nan 0.000 0.560 382 G N -1.358 107.496 108.800 0.090 0.000 2.813 382 G HA2 0.050 4.010 3.960 0.000 0.000 0.209 382 G HA3 0.050 4.010 3.960 0.000 0.000 0.209 382 G C -0.096 174.426 174.900 -0.629 0.000 1.150 382 G CA 0.297 45.212 45.100 -0.309 0.000 0.785 382 G HN 0.126 nan 8.290 nan 0.000 0.535 383 F N -1.643 118.366 119.950 0.098 0.000 2.588 383 F HA 0.563 5.090 4.527 0.000 0.000 0.310 383 F C 0.064 175.904 175.800 0.067 0.000 1.082 383 F CA -1.281 56.762 58.000 0.072 0.000 0.929 383 F CB 2.151 41.202 39.000 0.084 0.000 1.254 383 F HN -0.275 nan 8.300 nan 0.000 0.455 384 R N 1.988 122.619 120.500 0.218 0.000 2.280 384 R HA 0.779 5.119 4.340 0.000 0.000 0.326 384 R C -1.397 175.056 176.300 0.254 0.000 1.080 384 R CA -0.183 56.007 56.100 0.150 0.000 1.002 384 R CB 0.400 30.721 30.300 0.036 0.000 1.136 384 R HN 0.745 nan 8.270 nan 0.000 0.509 385 A N 5.087 128.102 122.820 0.326 0.000 2.335 385 A HA 0.428 4.748 4.320 0.000 0.000 0.304 385 A C -0.868 176.856 177.584 0.233 0.000 1.118 385 A CA -0.746 51.435 52.037 0.240 0.000 0.757 385 A CB 0.876 19.980 19.000 0.173 0.000 1.188 385 A HN 0.655 nan 8.150 nan 0.000 0.460 386 L N 2.036 123.295 121.223 0.059 0.000 2.439 386 L HA 0.186 4.526 4.340 0.000 0.000 0.269 386 L C 1.493 178.357 176.870 -0.011 0.000 1.179 386 L CA -0.369 54.392 54.840 -0.133 0.000 0.828 386 L CB 0.714 42.651 42.059 -0.203 0.000 1.106 386 L HN 0.829 nan 8.230 nan 0.000 0.467 387 E N 1.918 122.107 120.200 -0.018 0.000 2.028 387 E HA -0.085 4.265 4.350 0.000 0.000 0.190 387 E C -0.021 176.604 176.600 0.040 0.000 0.984 387 E CA 1.057 57.480 56.400 0.037 0.000 0.800 387 E CB 0.230 29.954 29.700 0.041 0.000 0.758 387 E HN 0.742 nan 8.360 nan 0.000 0.448 388 E N -0.670 119.543 120.200 0.022 0.000 2.430 388 E HA 0.466 4.816 4.350 0.000 0.000 0.279 388 E C -1.298 175.321 176.600 0.031 0.000 1.003 388 E CA -0.739 55.685 56.400 0.039 0.000 0.801 388 E CB 1.373 31.101 29.700 0.047 0.000 1.313 388 E HN -0.064 nan 8.360 nan 0.000 0.459 389 L N 1.969 123.217 121.223 0.043 0.000 2.481 389 L HA 0.403 4.743 4.340 0.000 0.000 0.255 389 L C -2.765 174.142 176.870 0.062 0.000 1.192 389 L CA -1.735 53.127 54.840 0.037 0.000 0.924 389 L CB 1.532 43.589 42.059 -0.002 0.000 1.179 389 L HN 0.390 nan 8.230 nan 0.000 0.491 390 P HA 0.310 nan 4.420 nan 0.000 0.276 390 P C -0.825 176.520 177.300 0.075 0.000 1.235 390 P CA 0.037 63.179 63.100 0.070 0.000 0.772 390 P CB 1.517 33.254 31.700 0.061 0.000 0.871 391 V N 0.400 120.363 119.914 0.081 0.000 3.102 391 V HA 0.903 5.023 4.120 0.000 0.000 0.312 391 V C -0.176 175.965 176.094 0.078 0.000 1.135 391 V CA -0.875 61.480 62.300 0.093 0.000 1.022 391 V CB 1.742 33.636 31.823 0.118 0.000 1.056 391 V HN 0.680 nan 8.190 nan 0.000 0.436 392 T N 0.094 114.684 114.554 0.060 0.000 2.916 392 T HA 0.935 5.286 4.350 0.000 0.000 0.292 392 T C -0.845 173.889 174.700 0.056 0.000 1.055 392 T CA -0.527 61.534 62.100 -0.066 0.000 1.009 392 T CB 1.871 70.686 68.868 -0.088 0.000 1.118 392 T HN 1.794 nan 8.240 nan 0.000 0.497 393 F N -1.720 118.217 119.950 -0.022 0.000 2.686 393 F HA 0.856 5.383 4.527 0.000 0.000 0.311 393 F C -0.356 175.431 175.800 -0.022 0.000 1.128 393 F CA -1.348 56.636 58.000 -0.026 0.000 0.946 393 F CB 0.491 39.466 39.000 -0.042 0.000 1.336 393 F HN 0.922 nan 8.300 nan 0.000 0.457 394 E N 0.000 120.342 120.200 0.236 0.000 2.725 394 E HA 0.000 4.350 4.350 0.000 0.000 0.291 394 E CA 0.000 56.480 56.400 0.133 0.000 0.976 394 E CB 0.000 29.813 29.700 0.188 0.000 0.812 394 E HN 0.000 nan 8.360 nan 0.000 0.440