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 1qj5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDQ RHILHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GGITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWQAK GEARQRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMDGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISNGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFCQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 T N -2.724 111.826 114.554 -0.006 0.000 2.922 2 T HA 0.466 4.819 4.350 0.004 0.000 0.281 2 T C 1.096 175.800 174.700 0.007 0.000 1.005 2 T CA 0.144 62.243 62.100 -0.001 0.000 0.982 2 T CB 1.574 70.441 68.868 -0.001 0.000 1.158 2 T HN 0.808 nan 8.240 nan 0.000 0.566 3 T N -2.128 112.431 114.554 0.008 0.000 2.995 3 T HA -0.085 4.268 4.350 0.004 0.000 0.269 3 T C 1.406 176.124 174.700 0.031 0.000 1.091 3 T CA 1.597 63.705 62.100 0.012 0.000 1.128 3 T CB -0.736 68.136 68.868 0.007 0.000 0.891 3 T HN 0.682 nan 8.240 nan 0.000 0.492 4 D N 1.147 121.569 120.400 0.035 0.000 2.144 4 D HA -0.093 4.549 4.640 0.004 0.000 0.200 4 D C 1.717 178.073 176.300 0.093 0.000 0.978 4 D CA 1.015 55.051 54.000 0.061 0.000 0.833 4 D CB -0.320 40.508 40.800 0.046 0.000 0.961 4 D HN 0.324 nan 8.370 nan 0.000 0.470 5 D N -0.176 120.259 120.400 0.059 0.000 2.117 5 D HA -0.107 4.536 4.640 0.004 0.000 0.197 5 D C 2.189 178.561 176.300 0.121 0.000 0.987 5 D CA 0.609 54.651 54.000 0.070 0.000 0.829 5 D CB -0.195 40.617 40.800 0.020 0.000 0.961 5 D HN 0.332 nan 8.370 nan 0.000 0.460 6 L N 0.451 121.719 121.223 0.075 0.000 2.141 6 L HA -0.057 4.286 4.340 0.004 0.000 0.209 6 L C 2.478 179.393 176.870 0.075 0.000 1.094 6 L CA 0.812 55.688 54.840 0.059 0.000 0.763 6 L CB -0.440 41.622 42.059 0.005 0.000 0.908 6 L HN -0.030 nan 8.230 nan 0.000 0.437 7 A N 0.053 122.927 122.820 0.089 0.000 1.898 7 A HA -0.237 4.086 4.320 0.004 0.000 0.216 7 A C 2.158 179.822 177.584 0.133 0.000 1.181 7 A CA 1.174 53.259 52.037 0.081 0.000 0.620 7 A CB -0.713 18.334 19.000 0.078 0.000 0.819 7 A HN 0.350 nan 8.150 nan 0.000 0.442 8 F N 1.271 121.276 119.950 0.092 0.000 2.102 8 F HA -0.208 4.320 4.527 0.002 0.000 0.298 8 F C 2.128 178.038 175.800 0.184 0.000 1.105 8 F CA 2.191 60.301 58.000 0.184 0.000 1.239 8 F CB -0.146 38.917 39.000 0.105 0.000 0.991 8 F HN 0.439 nan 8.300 nan 0.000 0.474 9 D N -0.229 120.371 120.400 0.333 0.000 2.104 9 D HA -0.287 4.356 4.640 0.004 0.000 0.194 9 D C 2.096 178.464 176.300 0.114 0.000 0.994 9 D CA 1.657 55.806 54.000 0.248 0.000 0.830 9 D CB -0.343 40.594 40.800 0.227 0.000 0.959 9 D HN 0.507 nan 8.370 nan 0.000 0.452 10 Q N -0.165 119.660 119.800 0.041 0.000 2.084 10 Q HA -0.189 4.154 4.340 0.004 0.000 0.202 10 Q C 2.292 178.234 176.000 -0.096 0.000 0.978 10 Q CA 1.267 57.057 55.803 -0.022 0.000 0.844 10 Q CB 0.064 28.779 28.738 -0.038 0.000 0.898 10 Q HN 0.019 nan 8.270 nan 0.000 0.426 11 R N -1.031 119.351 120.500 -0.196 0.000 2.093 11 R HA -0.058 4.284 4.340 0.004 0.000 0.224 11 R C 1.304 177.210 176.300 -0.657 0.000 1.101 11 R CA 1.637 57.472 56.100 -0.441 0.000 0.979 11 R CB 0.124 30.080 30.300 -0.574 0.000 0.877 11 R HN 0.397 nan 8.270 nan 0.000 0.441 12 H N -1.807 117.063 119.070 -0.332 0.000 3.046 12 H HA 0.298 4.857 4.556 0.005 0.000 0.262 12 H C -0.148 175.108 175.328 -0.120 0.000 1.044 12 H CA 0.007 55.861 56.048 -0.323 0.000 1.209 12 H CB 1.060 30.352 29.762 -0.783 0.000 1.507 12 H HN 0.057 nan 8.280 nan 0.000 0.507 13 I N 2.576 123.184 120.570 0.065 0.000 2.330 13 I HA 0.109 4.281 4.170 0.004 0.000 0.289 13 I C -0.512 175.680 176.117 0.125 0.000 1.001 13 I CA -0.779 60.584 61.300 0.106 0.000 1.193 13 I CB 1.648 39.741 38.000 0.155 0.000 1.345 13 I HN -0.205 nan 8.210 nan 0.000 0.461 14 L N 7.060 128.320 121.223 0.062 0.000 2.439 14 L HA 0.240 4.583 4.340 0.004 0.000 0.269 14 L C 0.403 177.298 176.870 0.042 0.000 1.179 14 L CA 0.607 55.497 54.840 0.084 0.000 0.828 14 L CB -0.047 42.034 42.059 0.037 0.000 1.106 14 L HN 0.483 nan 8.230 nan 0.000 0.467 15 H N 1.158 120.271 119.070 0.073 0.000 2.812 15 H HA 0.413 4.972 4.556 0.005 0.000 0.355 15 H C -2.094 173.312 175.328 0.130 0.000 1.207 15 H CA -1.839 54.277 56.048 0.114 0.000 1.217 15 H CB 1.467 31.306 29.762 0.129 0.000 1.874 15 H HN 0.369 nan 8.280 nan 0.000 0.581 16 P HA -0.029 nan 4.420 nan 0.000 0.262 16 P C -0.800 176.694 177.300 0.323 0.000 1.199 16 P CA 0.318 63.590 63.100 0.286 0.000 0.763 16 P CB -0.393 31.563 31.700 0.427 0.000 0.790 17 Y N -0.243 120.127 120.300 0.116 0.000 2.976 17 Y HA -0.228 4.326 4.550 0.006 0.000 0.204 17 Y C 0.792 176.760 175.900 0.112 0.000 1.257 17 Y CA 1.298 59.456 58.100 0.097 0.000 0.856 17 Y CB -1.960 36.526 38.460 0.043 0.000 1.222 17 Y HN 0.386 nan 8.280 nan 0.000 0.442 18 T N -0.571 114.108 114.554 0.210 0.000 2.932 18 T HA 0.499 4.851 4.350 0.004 0.000 0.318 18 T C -0.471 174.300 174.700 0.120 0.000 1.265 18 T CA -0.162 62.042 62.100 0.174 0.000 1.036 18 T CB 1.498 70.474 68.868 0.181 0.000 1.209 18 T HN 0.303 nan 8.240 nan 0.000 0.484 19 S N 3.281 119.036 115.700 0.092 0.000 2.568 19 S HA 0.224 4.696 4.470 0.004 0.000 0.282 19 S C 1.356 175.983 174.600 0.045 0.000 1.338 19 S CA -0.484 57.753 58.200 0.062 0.000 1.045 19 S CB 0.312 63.540 63.200 0.047 0.000 0.873 19 S HN 0.674 nan 8.310 nan 0.000 0.516 20 M N 3.204 122.821 119.600 0.029 0.000 2.510 20 M HA 0.042 4.524 4.480 0.004 0.000 0.256 20 M C 1.862 178.153 176.300 -0.014 0.000 1.132 20 M CA 0.909 56.213 55.300 0.008 0.000 1.105 20 M CB -1.209 31.390 32.600 -0.002 0.000 1.375 20 M HN 0.914 nan 8.290 nan 0.000 0.477 21 T N -4.154 110.396 114.554 -0.006 0.000 3.015 21 T HA 0.097 4.450 4.350 0.004 0.000 0.250 21 T C 1.180 175.874 174.700 -0.010 0.000 1.057 21 T CA 0.460 62.552 62.100 -0.014 0.000 1.066 21 T CB 0.046 68.909 68.868 -0.009 0.000 0.959 21 T HN 0.190 nan 8.240 nan 0.000 0.488 22 S N 2.948 118.649 115.700 0.001 0.000 2.474 22 S HA 0.420 4.893 4.470 0.004 0.000 0.224 22 S C -2.937 171.669 174.600 0.010 0.000 1.209 22 S CA -1.191 57.011 58.200 0.005 0.000 1.212 22 S CB 0.083 63.291 63.200 0.013 0.000 1.137 22 S HN 0.212 nan 8.310 nan 0.000 0.446 23 P HA 0.296 nan 4.420 nan 0.000 0.275 23 P C -0.296 176.999 177.300 -0.008 0.000 1.227 23 P CA -0.395 62.706 63.100 0.001 0.000 0.781 23 P CB 0.771 32.463 31.700 -0.014 0.000 0.906 24 L N 3.771 124.994 121.223 0.001 0.000 2.431 24 L HA 0.432 4.774 4.340 0.004 0.000 0.260 24 L C -1.783 175.060 176.870 -0.046 0.000 1.098 24 L CA -2.251 52.587 54.840 -0.003 0.000 0.800 24 L CB -0.235 41.844 42.059 0.033 0.000 1.210 24 L HN 0.226 nan 8.230 nan 0.000 0.465 25 P HA 0.038 nan 4.420 nan 0.000 0.265 25 P C -1.111 176.064 177.300 -0.208 0.000 1.187 25 P CA -0.108 62.886 63.100 -0.177 0.000 0.766 25 P CB 0.484 32.047 31.700 -0.229 0.000 0.820 26 V N 0.887 120.629 119.914 -0.286 0.000 2.628 26 V HA 0.502 4.625 4.120 0.004 0.000 0.306 26 V C -1.032 174.856 176.094 -0.343 0.000 1.045 26 V CA -1.021 61.151 62.300 -0.214 0.000 0.905 26 V CB 1.339 33.008 31.823 -0.257 0.000 0.997 26 V HN 0.280 nan 8.190 nan 0.000 0.436 27 Y N 4.241 124.516 120.300 -0.042 0.000 2.313 27 Y HA 0.593 5.146 4.550 0.005 0.000 0.332 27 Y C -1.832 173.987 175.900 -0.135 0.000 1.071 27 Y CA -2.158 55.894 58.100 -0.079 0.000 1.169 27 Y CB 1.245 39.650 38.460 -0.092 0.000 1.192 27 Y HN 0.541 nan 8.280 nan 0.000 0.487 28 P HA 0.158 nan 4.420 nan 0.000 0.281 28 P C -0.903 176.358 177.300 -0.066 0.000 1.286 28 P CA -0.076 63.003 63.100 -0.035 0.000 0.772 28 P CB 1.094 32.778 31.700 -0.026 0.000 0.862 29 V N 4.647 124.493 119.914 -0.114 0.000 2.427 29 V HA 0.104 4.227 4.120 0.004 0.000 0.286 29 V C 1.624 177.648 176.094 -0.115 0.000 1.034 29 V CA -0.290 61.916 62.300 -0.158 0.000 0.893 29 V CB 1.672 33.346 31.823 -0.250 0.000 0.982 29 V HN 0.478 nan 8.190 nan 0.000 0.452 30 V N 1.540 121.391 119.914 -0.105 0.000 3.263 30 V HA 0.387 4.510 4.120 0.004 0.000 0.248 30 V C 0.631 176.675 176.094 -0.084 0.000 1.145 30 V CA 0.953 63.205 62.300 -0.079 0.000 1.107 30 V CB 0.271 32.058 31.823 -0.061 0.000 0.797 30 V HN 0.893 nan 8.190 nan 0.000 0.467 31 S N -0.915 114.719 115.700 -0.110 0.000 2.636 31 S HA 0.879 5.352 4.470 0.004 0.000 0.268 31 S C -0.889 173.615 174.600 -0.160 0.000 1.159 31 S CA -0.123 58.014 58.200 -0.105 0.000 0.815 31 S CB 1.455 64.613 63.200 -0.069 0.000 1.130 31 S HN 1.827 nan 8.310 nan 0.000 0.471 32 A N 0.599 123.335 122.820 -0.139 0.000 2.574 32 A HA 0.896 5.219 4.320 0.004 0.000 0.297 32 A C -1.225 176.338 177.584 -0.036 0.000 1.062 32 A CA -0.524 51.389 52.037 -0.207 0.000 0.686 32 A CB 1.524 20.220 19.000 -0.507 0.000 1.285 32 A HN 1.312 nan 8.150 nan 0.000 0.403 33 E N 0.937 121.137 120.200 0.000 0.000 2.375 33 E HA 0.586 4.938 4.350 0.004 0.000 0.280 33 E C 0.423 177.084 176.600 0.102 0.000 0.972 33 E CA -0.599 55.844 56.400 0.072 0.000 0.782 33 E CB 1.076 30.788 29.700 0.019 0.000 1.229 33 E HN 2.254 nan 8.360 nan 0.000 0.439 34 G N 1.266 110.134 108.800 0.113 0.000 2.622 34 G HA2 -0.416 3.547 3.960 0.004 0.000 0.307 34 G HA3 -0.416 3.547 3.960 0.004 0.000 0.307 34 G C 0.667 175.675 174.900 0.180 0.000 1.226 34 G CA 0.355 45.517 45.100 0.103 0.000 0.997 34 G HN 0.914 nan 8.290 nan 0.000 0.551 35 C N 2.330 121.711 119.300 0.135 0.000 2.589 35 C HA 0.568 5.030 4.460 0.004 0.000 0.307 35 C C 0.642 175.700 174.990 0.112 0.000 1.328 35 C CA 0.095 59.209 59.018 0.160 0.000 1.742 35 C CB -2.046 25.753 27.740 0.098 0.000 2.037 35 C HN 0.431 nan 8.230 nan 0.000 0.592 36 E N 0.330 120.561 120.200 0.053 0.000 2.227 36 E HA 0.535 4.888 4.350 0.004 0.000 0.268 36 E C -1.103 175.370 176.600 -0.212 0.000 0.907 36 E CA -0.437 55.928 56.400 -0.058 0.000 0.786 36 E CB 1.714 31.385 29.700 -0.049 0.000 1.191 36 E HN 0.297 nan 8.360 nan 0.000 0.411 37 L N 2.976 124.046 121.223 -0.256 0.000 2.317 37 L HA 0.535 4.877 4.340 0.004 0.000 0.281 37 L C -0.420 176.312 176.870 -0.230 0.000 1.024 37 L CA -0.764 53.864 54.840 -0.354 0.000 0.810 37 L CB 0.965 42.755 42.059 -0.448 0.000 1.240 37 L HN 0.406 nan 8.230 nan 0.000 0.427 38 I N 4.018 124.462 120.570 -0.210 0.000 2.354 38 I HA 0.306 4.478 4.170 0.004 0.000 0.286 38 I C 0.037 176.075 176.117 -0.132 0.000 1.007 38 I CA -0.363 60.853 61.300 -0.140 0.000 1.167 38 I CB 1.331 39.268 38.000 -0.106 0.000 1.320 38 I HN 0.392 nan 8.210 nan 0.000 0.458 39 L N 4.169 125.328 121.223 -0.106 0.000 2.466 39 L HA 0.227 4.569 4.340 0.004 0.000 0.257 39 L C 1.693 178.531 176.870 -0.052 0.000 1.189 39 L CA -0.080 54.713 54.840 -0.078 0.000 0.813 39 L CB 0.678 42.716 42.059 -0.036 0.000 1.118 39 L HN 0.605 nan 8.230 nan 0.000 0.471 40 S N 0.585 116.262 115.700 -0.038 0.000 2.387 40 S HA -0.201 4.271 4.470 0.004 0.000 0.230 40 S C 1.270 175.858 174.600 -0.021 0.000 1.035 40 S CA 1.890 60.072 58.200 -0.029 0.000 1.014 40 S CB -0.348 62.840 63.200 -0.020 0.000 0.836 40 S HN 0.924 nan 8.310 nan 0.000 0.466 41 D N -0.616 119.777 120.400 -0.011 0.000 2.363 41 D HA 0.187 4.829 4.640 0.004 0.000 0.226 41 D C 1.229 177.521 176.300 -0.013 0.000 1.020 41 D CA 0.964 54.960 54.000 -0.007 0.000 0.892 41 D CB -0.480 40.324 40.800 0.006 0.000 0.900 41 D HN 0.438 nan 8.370 nan 0.000 0.531 42 G N -0.114 108.672 108.800 -0.023 0.000 2.238 42 G HA2 -0.280 3.683 3.960 0.004 0.000 0.217 42 G HA3 -0.280 3.683 3.960 0.004 0.000 0.217 42 G C 0.300 175.181 174.900 -0.032 0.000 0.996 42 G CA -0.237 44.846 45.100 -0.027 0.000 0.632 42 G HN 0.409 nan 8.290 nan 0.000 0.503 43 R N 1.106 121.588 120.500 -0.029 0.000 2.522 43 R HA 0.387 4.729 4.340 0.004 0.000 0.284 43 R C 0.416 176.684 176.300 -0.053 0.000 1.032 43 R CA 0.224 56.303 56.100 -0.034 0.000 1.049 43 R CB 0.302 30.586 30.300 -0.026 0.000 0.956 43 R HN 0.322 nan 8.270 nan 0.000 0.422 44 R N 3.667 124.136 120.500 -0.052 0.000 2.346 44 R HA 0.398 4.741 4.340 0.004 0.000 0.311 44 R C -0.529 175.733 176.300 -0.063 0.000 0.983 44 R CA -0.578 55.484 56.100 -0.063 0.000 0.880 44 R CB 1.068 31.338 30.300 -0.050 0.000 1.100 44 R HN 0.339 nan 8.270 nan 0.000 0.453 45 L N 2.648 123.825 121.223 -0.077 0.000 2.365 45 L HA 0.450 4.792 4.340 0.004 0.000 0.273 45 L C -0.232 176.612 176.870 -0.043 0.000 1.000 45 L CA -1.359 53.448 54.840 -0.055 0.000 0.819 45 L CB 2.164 44.201 42.059 -0.037 0.000 1.284 45 L HN 0.283 nan 8.230 nan 0.000 0.418 46 V N 1.229 121.127 119.914 -0.028 0.000 2.479 46 V HA -0.014 4.109 4.120 0.004 0.000 0.281 46 V C 0.050 176.148 176.094 0.007 0.000 1.031 46 V CA -0.032 62.260 62.300 -0.013 0.000 1.038 46 V CB 1.066 32.876 31.823 -0.023 0.000 0.981 46 V HN 0.673 nan 8.190 nan 0.000 0.478 47 D N 4.275 124.698 120.400 0.038 0.000 2.325 47 D HA 0.304 4.947 4.640 0.004 0.000 0.251 47 D C 1.054 177.379 176.300 0.041 0.000 1.196 47 D CA 0.345 54.397 54.000 0.086 0.000 0.866 47 D CB 1.457 42.355 40.800 0.164 0.000 1.101 47 D HN 0.585 nan 8.370 nan 0.000 0.476 48 G N 3.214 111.992 108.800 -0.037 0.000 3.042 48 G HA2 -0.038 3.925 3.960 0.004 0.000 0.212 48 G HA3 -0.038 3.925 3.960 0.004 0.000 0.212 48 G C 0.951 175.769 174.900 -0.136 0.000 1.166 48 G CA 0.027 45.053 45.100 -0.124 0.000 0.767 48 G HN 0.440 nan 8.290 nan 0.000 0.546 49 M N -0.241 119.318 119.600 -0.068 0.000 2.379 49 M HA 0.269 4.751 4.480 0.004 0.000 0.265 49 M C 1.369 177.662 176.300 -0.011 0.000 1.095 49 M CA -0.070 55.172 55.300 -0.097 0.000 1.075 49 M CB -0.144 32.387 32.600 -0.115 0.000 1.443 49 M HN 0.092 nan 8.290 nan 0.000 0.519 50 S N 1.158 116.892 115.700 0.057 0.000 3.521 50 S HA -0.151 4.322 4.470 0.004 0.000 0.328 50 S C 0.500 175.158 174.600 0.097 0.000 1.165 50 S CA 0.691 58.918 58.200 0.044 0.000 0.941 50 S CB -1.781 61.413 63.200 -0.010 0.000 0.951 50 S HN 0.561 nan 8.310 nan 0.000 0.539 51 S N -0.703 115.076 115.700 0.131 0.000 3.631 51 S HA -0.200 4.273 4.470 0.004 0.000 0.366 51 S C 0.021 174.740 174.600 0.198 0.000 0.993 51 S CA 1.003 59.248 58.200 0.076 0.000 1.167 51 S CB -1.504 61.789 63.200 0.155 0.000 0.909 51 S HN 0.973 nan 8.310 nan 0.000 0.478 52 W N -1.656 119.725 121.300 0.135 0.000 4.116 52 W HA -0.222 4.440 4.660 0.004 0.000 0.438 52 W C 0.503 177.214 176.519 0.319 0.000 1.762 52 W CA 0.514 57.955 57.345 0.160 0.000 0.690 52 W CB -2.632 26.985 29.460 0.262 0.000 2.907 52 W HN 0.816 nan 8.180 nan 0.000 0.846 53 W N -2.542 118.928 121.300 0.283 0.000 0.884 53 W HA -0.426 4.236 4.660 0.004 0.000 0.219 53 W C 1.960 178.513 176.519 0.056 0.000 0.924 53 W CA 3.239 60.685 57.345 0.168 0.000 0.352 53 W CB -2.263 27.299 29.460 0.170 0.000 1.918 53 W HN 0.442 nan 8.180 nan 0.000 1.397 54 A N 0.442 123.442 122.820 0.299 0.000 1.902 54 A HA 0.284 4.607 4.320 0.004 0.000 0.217 54 A C 1.671 179.208 177.584 -0.080 0.000 1.181 54 A CA 2.082 54.187 52.037 0.114 0.000 0.623 54 A CB -0.994 18.086 19.000 0.133 0.000 0.818 54 A HN 0.913 nan 8.150 nan 0.000 0.443 55 A N 0.576 123.311 122.820 -0.141 0.000 3.091 55 A HA 0.465 4.788 4.320 0.004 0.000 0.264 55 A C 1.169 178.502 177.584 -0.419 0.000 1.673 55 A CA 0.067 51.898 52.037 -0.344 0.000 1.362 55 A CB -1.191 17.463 19.000 -0.577 0.000 1.137 55 A HN 0.777 nan 8.150 nan 0.000 0.617 56 I N -2.557 117.673 120.570 -0.567 0.000 2.614 56 I HA -0.129 4.044 4.170 0.004 0.000 0.258 56 I C 1.022 176.633 176.117 -0.843 0.000 1.189 56 I CA 1.168 61.904 61.300 -0.940 0.000 1.462 56 I CB -0.370 36.826 38.000 -1.339 0.000 1.092 56 I HN 0.491 nan 8.210 nan 0.000 0.442 57 H N 1.594 120.475 119.070 -0.316 0.000 2.520 57 H HA 0.446 5.004 4.556 0.004 0.000 0.284 57 H C 1.389 176.673 175.328 -0.073 0.000 1.037 57 H CA 0.363 56.317 56.048 -0.157 0.000 1.168 57 H CB -0.023 29.576 29.762 -0.272 0.000 1.497 57 H HN 0.539 nan 8.280 nan 0.000 0.547 58 G N 0.806 109.497 108.800 -0.181 0.000 2.553 58 G HA2 -0.270 3.693 3.960 0.004 0.000 0.242 58 G HA3 -0.270 3.693 3.960 0.004 0.000 0.242 58 G C -1.037 173.585 174.900 -0.463 0.000 1.277 58 G CA -0.422 44.528 45.100 -0.251 0.000 0.910 58 G HN 0.325 nan 8.290 nan 0.000 0.576 59 Y N 0.133 120.465 120.300 0.054 0.000 2.509 59 Y HA 0.646 5.199 4.550 0.004 0.000 0.341 59 Y C 1.151 177.077 175.900 0.043 0.000 1.038 59 Y CA -0.264 57.856 58.100 0.034 0.000 1.089 59 Y CB 1.595 40.050 38.460 -0.007 0.000 1.241 59 Y HN 0.710 nan 8.280 nan 0.000 0.468 60 N N 1.781 120.590 118.700 0.182 0.000 2.705 60 N HA -0.268 4.475 4.740 0.004 0.000 0.255 60 N C -0.775 174.786 175.510 0.086 0.000 1.008 60 N CA 0.526 53.639 53.050 0.106 0.000 0.742 60 N CB -0.910 37.620 38.487 0.072 0.000 0.906 60 N HN 0.701 nan 8.380 nan 0.000 0.541 61 H N 1.048 120.129 119.070 0.018 0.000 2.722 61 H HA 0.116 4.675 4.556 0.004 0.000 0.328 61 H C -1.302 174.019 175.328 -0.011 0.000 1.067 61 H CA -1.088 54.961 56.048 0.001 0.000 1.447 61 H CB 1.312 31.067 29.762 -0.013 0.000 1.469 61 H HN 0.128 nan 8.280 nan 0.000 0.544 62 P HA -0.177 nan 4.420 nan 0.000 0.215 62 P C 1.074 178.436 177.300 0.105 0.000 1.153 62 P CA 1.391 64.479 63.100 -0.020 0.000 0.853 62 P CB 0.406 32.044 31.700 -0.103 0.000 0.788 63 Q N -0.624 119.343 119.800 0.279 0.000 2.079 63 Q HA -0.049 4.294 4.340 0.004 0.000 0.200 63 Q C 2.497 178.541 176.000 0.073 0.000 0.974 63 Q CA 1.063 56.960 55.803 0.156 0.000 0.840 63 Q CB -0.532 28.276 28.738 0.117 0.000 0.898 63 Q HN 0.269 nan 8.270 nan 0.000 0.430 64 L N 0.618 121.891 121.223 0.083 0.000 2.056 64 L HA -0.178 4.165 4.340 0.004 0.000 0.207 64 L C 1.927 178.812 176.870 0.024 0.000 1.078 64 L CA 0.707 55.545 54.840 -0.003 0.000 0.749 64 L CB -0.535 41.511 42.059 -0.022 0.000 0.901 64 L HN 0.230 nan 8.230 nan 0.000 0.433 65 N N 0.631 119.363 118.700 0.053 0.000 2.069 65 N HA -0.169 4.574 4.740 0.004 0.000 0.191 65 N C 1.904 177.426 175.510 0.019 0.000 1.031 65 N CA 1.694 54.764 53.050 0.033 0.000 0.852 65 N CB -0.436 38.071 38.487 0.034 0.000 1.018 65 N HN 0.313 nan 8.380 nan 0.000 0.423 66 A N 0.722 123.556 122.820 0.023 0.000 1.902 66 A HA 0.010 4.333 4.320 0.004 0.000 0.217 66 A C 2.320 179.908 177.584 0.007 0.000 1.181 66 A CA 2.057 54.102 52.037 0.013 0.000 0.623 66 A CB -0.923 18.086 19.000 0.015 0.000 0.818 66 A HN 0.332 nan 8.150 nan 0.000 0.443 67 A N -0.761 122.062 122.820 0.003 0.000 1.930 67 A HA -0.059 4.263 4.320 0.004 0.000 0.217 67 A C 2.252 179.832 177.584 -0.005 0.000 1.175 67 A CA 1.699 53.733 52.037 -0.004 0.000 0.627 67 A CB -0.500 18.492 19.000 -0.015 0.000 0.815 67 A HN 0.535 nan 8.150 nan 0.000 0.443 68 M N -0.712 118.886 119.600 -0.004 0.000 2.099 68 M HA -0.142 4.341 4.480 0.004 0.000 0.262 68 M C 2.132 178.429 176.300 -0.004 0.000 1.067 68 M CA 1.645 56.942 55.300 -0.006 0.000 1.124 68 M CB -0.319 32.278 32.600 -0.004 0.000 1.353 68 M HN 0.301 nan 8.290 nan 0.000 0.410 69 K N -0.326 120.074 120.400 -0.001 0.000 2.097 69 K HA -0.063 4.260 4.320 0.004 0.000 0.205 69 K C 2.132 178.732 176.600 -0.001 0.000 1.050 69 K CA 1.420 57.707 56.287 -0.001 0.000 0.938 69 K CB -0.156 32.345 32.500 0.001 0.000 0.718 69 K HN 0.185 nan 8.250 nan 0.000 0.442 70 S N 1.150 116.849 115.700 -0.001 0.000 2.368 70 S HA -0.190 4.283 4.470 0.004 0.000 0.225 70 S C 1.956 176.553 174.600 -0.004 0.000 1.030 70 S CA 1.309 59.509 58.200 -0.001 0.000 0.999 70 S CB -0.157 63.043 63.200 0.001 0.000 0.844 70 S HN 0.249 nan 8.310 nan 0.000 0.459 71 Q N 1.286 121.082 119.800 -0.007 0.000 2.119 71 Q HA 0.076 4.418 4.340 0.004 0.000 0.201 71 Q C 1.804 177.796 176.000 -0.013 0.000 0.972 71 Q CA 1.324 57.119 55.803 -0.013 0.000 0.847 71 Q CB -0.508 28.220 28.738 -0.018 0.000 0.903 71 Q HN 0.583 nan 8.270 nan 0.000 0.433 72 I N 0.598 121.164 120.570 -0.007 0.000 2.264 72 I HA -0.277 3.896 4.170 0.004 0.000 0.248 72 I C 1.353 177.468 176.117 -0.002 0.000 1.111 72 I CA 1.351 62.649 61.300 -0.003 0.000 1.382 72 I CB -0.293 37.706 38.000 -0.001 0.000 1.060 72 I HN 0.183 nan 8.210 nan 0.000 0.418 73 D N 0.833 121.231 120.400 -0.003 0.000 2.219 73 D HA -0.105 4.537 4.640 0.004 0.000 0.205 73 D C 2.109 178.407 176.300 -0.003 0.000 0.970 73 D CA 1.379 55.377 54.000 -0.002 0.000 0.851 73 D CB -0.004 40.795 40.800 -0.001 0.000 0.943 73 D HN 0.387 nan 8.370 nan 0.000 0.488 74 A N 0.358 123.173 122.820 -0.007 0.000 1.844 74 A HA 0.236 4.558 4.320 0.004 0.000 0.212 74 A C 0.995 178.569 177.584 -0.016 0.000 1.221 74 A CA 0.997 53.028 52.037 -0.010 0.000 0.607 74 A CB 0.025 19.017 19.000 -0.013 0.000 0.878 74 A HN 0.300 nan 8.150 nan 0.000 0.451 75 M N -3.470 116.114 119.600 -0.026 0.000 2.342 75 M HA 0.340 4.823 4.480 0.004 0.000 0.260 75 M C -0.077 176.207 176.300 -0.025 0.000 1.023 75 M CA -0.114 55.169 55.300 -0.027 0.000 0.919 75 M CB 1.258 33.827 32.600 -0.050 0.000 2.048 75 M HN -0.079 nan 8.290 nan 0.000 0.479 76 S N 0.440 116.148 115.700 0.014 0.000 2.368 76 S HA -0.033 4.439 4.470 0.004 0.000 0.224 76 S C 0.149 174.811 174.600 0.102 0.000 1.029 76 S CA 1.781 60.005 58.200 0.040 0.000 0.988 76 S CB -0.067 63.166 63.200 0.054 0.000 0.838 76 S HN 0.861 nan 8.310 nan 0.000 0.462 77 H N -1.557 117.512 119.070 -0.002 0.000 3.046 77 H HA 0.671 5.229 4.556 0.004 0.000 0.361 77 H C -1.479 173.854 175.328 0.008 0.000 1.235 77 H CA -0.369 55.693 56.048 0.023 0.000 1.146 77 H CB 1.722 31.578 29.762 0.157 0.000 1.859 77 H HN 0.008 nan 8.280 nan 0.000 0.548 78 V N 5.239 124.633 119.914 -0.867 0.000 3.048 78 V HA 0.365 4.488 4.120 0.004 0.000 0.303 78 V C -0.449 175.249 176.094 -0.659 0.000 1.214 78 V CA -0.815 61.161 62.300 -0.540 0.000 0.984 78 V CB 1.927 33.631 31.823 -0.199 0.000 1.054 78 V HN 1.033 nan 8.190 nan 0.000 0.430 79 M N 3.522 122.956 119.600 -0.276 0.000 2.232 79 M HA 0.371 4.854 4.480 0.004 0.000 0.321 79 M C -0.207 176.172 176.300 0.132 0.000 1.101 79 M CA 0.601 55.868 55.300 -0.055 0.000 1.181 79 M CB 0.187 32.784 32.600 -0.004 0.000 1.432 79 M HN 0.601 nan 8.290 nan 0.000 0.457 80 F N 0.533 120.472 119.950 -0.018 0.000 2.695 80 F HA 0.433 4.962 4.527 0.004 0.000 0.303 80 F C 0.959 176.740 175.800 -0.032 0.000 1.091 80 F CA -0.871 57.120 58.000 -0.015 0.000 1.300 80 F CB 0.133 39.127 39.000 -0.010 0.000 1.071 80 F HN 0.760 nan 8.300 nan 0.000 0.578 81 G N -0.300 108.534 108.800 0.056 0.000 2.365 81 G HA2 0.411 4.374 3.960 0.004 0.000 0.293 81 G HA3 0.411 4.374 3.960 0.004 0.000 0.293 81 G C 1.036 175.900 174.900 -0.061 0.000 1.128 81 G CA 0.145 45.234 45.100 -0.019 0.000 0.971 81 G HN 0.671 nan 8.290 nan 0.000 0.422 82 G N 1.577 110.309 108.800 -0.114 0.000 2.162 82 G HA2 -0.266 3.697 3.960 0.004 0.000 0.260 82 G HA3 -0.266 3.697 3.960 0.004 0.000 0.260 82 G C 0.230 175.061 174.900 -0.116 0.000 0.976 82 G CA 0.565 45.602 45.100 -0.104 0.000 0.655 82 G HN 0.780 nan 8.290 nan 0.000 0.533 83 I N -0.342 120.133 120.570 -0.158 0.000 2.730 83 I HA 0.673 4.845 4.170 0.004 0.000 0.298 83 I C 0.036 176.009 176.117 -0.240 0.000 1.089 83 I CA -0.677 60.554 61.300 -0.114 0.000 1.041 83 I CB 2.595 40.595 38.000 -0.001 0.000 1.235 83 I HN 0.116 nan 8.210 nan 0.000 0.423 84 T N 2.876 117.339 114.554 -0.150 0.000 2.865 84 T HA 0.756 5.108 4.350 0.004 0.000 0.294 84 T C -1.588 173.113 174.700 0.003 0.000 1.119 84 T CA -0.443 61.530 62.100 -0.212 0.000 1.007 84 T CB 1.277 69.979 68.868 -0.276 0.000 1.225 84 T HN 0.815 nan 8.240 nan 0.000 0.515 85 H N -1.076 118.081 119.070 0.146 0.000 3.014 85 H HA 0.766 5.325 4.556 0.004 0.000 0.337 85 H C 0.728 176.107 175.328 0.086 0.000 1.320 85 H CA -0.347 55.759 56.048 0.096 0.000 1.128 85 H CB 0.740 30.557 29.762 0.092 0.000 1.862 85 H HN 0.591 nan 8.280 nan 0.000 0.536 86 A N 0.499 123.460 122.820 0.235 0.000 1.877 86 A HA 0.014 4.336 4.320 0.004 0.000 0.216 86 A C -0.630 177.055 177.584 0.169 0.000 1.186 86 A CA 1.840 53.965 52.037 0.147 0.000 0.620 86 A CB -1.784 17.272 19.000 0.093 0.000 0.822 86 A HN 0.673 nan 8.150 nan 0.000 0.443 87 P HA -0.166 nan 4.420 nan 0.000 0.214 87 P C 1.812 179.221 177.300 0.182 0.000 1.163 87 P CA 2.145 65.354 63.100 0.182 0.000 0.889 87 P CB -0.157 31.626 31.700 0.139 0.000 0.790 88 A N -0.857 122.109 122.820 0.244 0.000 1.877 88 A HA -0.188 4.135 4.320 0.004 0.000 0.216 88 A C 2.251 179.864 177.584 0.050 0.000 1.186 88 A CA 1.604 53.665 52.037 0.041 0.000 0.620 88 A CB -1.677 17.214 19.000 -0.183 0.000 0.822 88 A HN 0.105 nan 8.150 nan 0.000 0.443 89 I N -0.366 120.234 120.570 0.050 0.000 2.179 89 I HA -0.222 3.951 4.170 0.004 0.000 0.242 89 I C 2.502 178.646 176.117 0.045 0.000 1.088 89 I CA 1.284 62.609 61.300 0.042 0.000 1.357 89 I CB -0.366 37.651 38.000 0.028 0.000 1.051 89 I HN 0.292 nan 8.210 nan 0.000 0.409 90 E N 0.544 120.775 120.200 0.052 0.000 2.058 90 E HA -0.253 4.100 4.350 0.004 0.000 0.194 90 E C 2.133 178.759 176.600 0.044 0.000 0.997 90 E CA 1.257 57.684 56.400 0.045 0.000 0.801 90 E CB -0.613 29.113 29.700 0.044 0.000 0.746 90 E HN 0.328 nan 8.360 nan 0.000 0.450 91 L N 0.892 122.142 121.223 0.045 0.000 2.012 91 L HA -0.161 4.181 4.340 0.004 0.000 0.210 91 L C 2.367 179.268 176.870 0.051 0.000 1.073 91 L CA 1.739 56.603 54.840 0.040 0.000 0.748 91 L CB -0.744 41.334 42.059 0.030 0.000 0.891 91 L HN 0.095 nan 8.230 nan 0.000 0.431 92 C N -0.411 118.918 119.300 0.048 0.000 2.435 92 C HA -0.080 4.383 4.460 0.004 0.000 0.279 92 C C 2.763 177.781 174.990 0.048 0.000 1.321 92 C CA 0.572 59.620 59.018 0.050 0.000 1.752 92 C CB -1.132 26.637 27.740 0.048 0.000 1.959 92 C HN 0.504 nan 8.230 nan 0.000 0.500 93 R N 1.094 121.621 120.500 0.045 0.000 2.083 93 R HA -0.136 4.207 4.340 0.004 0.000 0.237 93 R C 2.271 178.604 176.300 0.055 0.000 1.137 93 R CA 1.381 57.506 56.100 0.042 0.000 0.951 93 R CB -0.245 30.078 30.300 0.038 0.000 0.851 93 R HN 0.596 nan 8.270 nan 0.000 0.434 94 K N 0.562 121.000 120.400 0.064 0.000 2.026 94 K HA -0.102 4.220 4.320 0.004 0.000 0.208 94 K C 2.184 178.854 176.600 0.118 0.000 1.048 94 K CA 1.197 57.536 56.287 0.087 0.000 0.929 94 K CB -0.173 32.376 32.500 0.082 0.000 0.713 94 K HN 0.131 nan 8.250 nan 0.000 0.439 95 L N 0.654 121.947 121.223 0.117 0.000 2.083 95 L HA -0.189 4.154 4.340 0.004 0.000 0.209 95 L C 2.373 179.285 176.870 0.069 0.000 1.083 95 L CA 0.869 55.788 54.840 0.133 0.000 0.752 95 L CB -0.496 41.634 42.059 0.118 0.000 0.899 95 L HN 0.006 nan 8.230 nan 0.000 0.433 96 V N 0.068 120.010 119.914 0.047 0.000 2.307 96 V HA -0.254 3.868 4.120 0.004 0.000 0.245 96 V C 2.719 178.831 176.094 0.030 0.000 1.045 96 V CA 1.829 64.141 62.300 0.020 0.000 1.024 96 V CB -0.738 31.096 31.823 0.017 0.000 0.651 96 V HN 0.473 nan 8.190 nan 0.000 0.449 97 A N 0.629 123.480 122.820 0.053 0.000 1.969 97 A HA -0.177 4.145 4.320 0.004 0.000 0.218 97 A C 2.212 179.848 177.584 0.086 0.000 1.169 97 A CA 1.985 54.058 52.037 0.060 0.000 0.635 97 A CB -0.442 18.596 19.000 0.063 0.000 0.810 97 A HN 0.671 nan 8.150 nan 0.000 0.445 98 M N -0.529 119.149 119.600 0.130 0.000 2.541 98 M HA 0.093 4.576 4.480 0.004 0.000 0.252 98 M C 0.596 177.029 176.300 0.222 0.000 1.125 98 M CA 1.000 56.425 55.300 0.209 0.000 1.091 98 M CB -0.640 32.142 32.600 0.304 0.000 1.420 98 M HN 0.289 nan 8.290 nan 0.000 0.486 99 T N -0.843 113.739 114.554 0.047 0.000 2.944 99 T HA 0.624 4.976 4.350 0.004 0.000 0.284 99 T C -2.706 171.954 174.700 -0.066 0.000 1.010 99 T CA -1.838 60.183 62.100 -0.132 0.000 1.025 99 T CB 0.808 69.486 68.868 -0.317 0.000 1.079 99 T HN -0.031 nan 8.240 nan 0.000 0.516 100 P HA -0.023 nan 4.420 nan 0.000 0.266 100 P C 1.138 178.412 177.300 -0.044 0.000 1.180 100 P CA -0.004 63.066 63.100 -0.050 0.000 0.765 100 P CB 0.396 32.054 31.700 -0.070 0.000 0.806 101 Q N 3.703 123.489 119.800 -0.024 0.000 2.118 101 Q HA -0.199 4.144 4.340 0.004 0.000 0.211 101 Q C -0.676 175.306 176.000 -0.031 0.000 0.998 101 Q CA 2.630 58.421 55.803 -0.020 0.000 0.872 101 Q CB -1.819 26.912 28.738 -0.011 0.000 0.925 101 Q HN 0.448 nan 8.270 nan 0.000 0.414 102 P HA -0.071 nan 4.420 nan 0.000 0.222 102 P C 0.076 177.339 177.300 -0.061 0.000 1.147 102 P CA 0.794 63.866 63.100 -0.047 0.000 0.790 102 P CB -0.162 31.507 31.700 -0.052 0.000 0.780 103 L N 1.355 122.534 121.223 -0.073 0.000 2.404 103 L HA 0.102 4.445 4.340 0.004 0.000 0.277 103 L C 1.140 177.972 176.870 -0.063 0.000 1.184 103 L CA 0.182 54.970 54.840 -0.087 0.000 1.013 103 L CB -0.490 41.494 42.059 -0.124 0.000 1.318 103 L HN 0.137 nan 8.230 nan 0.000 0.435 104 E N 0.108 120.279 120.200 -0.049 0.000 2.714 104 E HA 0.194 4.546 4.350 0.004 0.000 0.219 104 E C -0.412 176.176 176.600 -0.019 0.000 0.979 104 E CA -0.393 55.990 56.400 -0.028 0.000 1.092 104 E CB 0.512 30.199 29.700 -0.022 0.000 1.049 104 E HN 0.349 nan 8.360 nan 0.000 0.487 105 C N 1.343 120.627 119.300 -0.026 0.000 2.396 105 C HA 0.628 5.090 4.460 0.004 0.000 0.321 105 C C -0.215 174.779 174.990 0.008 0.000 1.233 105 C CA -0.692 58.321 59.018 -0.007 0.000 1.440 105 C CB 1.297 29.026 27.740 -0.018 0.000 2.110 105 C HN 0.243 nan 8.230 nan 0.000 0.473 106 V N 3.182 123.121 119.914 0.040 0.000 2.555 106 V HA 0.498 4.621 4.120 0.004 0.000 0.302 106 V C -0.731 175.440 176.094 0.128 0.000 1.038 106 V CA -0.458 61.881 62.300 0.065 0.000 0.887 106 V CB 1.686 33.539 31.823 0.051 0.000 0.991 106 V HN 0.731 nan 8.190 nan 0.000 0.434 107 F N 5.397 125.358 119.950 0.017 0.000 2.382 107 F HA 0.621 5.150 4.527 0.004 0.000 0.361 107 F C -0.256 175.582 175.800 0.063 0.000 1.109 107 F CA -0.563 57.478 58.000 0.069 0.000 1.031 107 F CB 0.802 39.837 39.000 0.059 0.000 1.234 107 F HN 0.328 nan 8.300 nan 0.000 0.445 108 L N 5.787 126.931 121.223 -0.131 0.000 2.417 108 L HA 0.707 5.050 4.340 0.004 0.000 0.268 108 L C 0.267 177.145 176.870 0.014 0.000 1.158 108 L CA -0.258 54.552 54.840 -0.049 0.000 0.819 108 L CB 0.902 42.864 42.059 -0.160 0.000 1.112 108 L HN 0.769 nan 8.230 nan 0.000 0.458 109 A N 1.428 124.323 122.820 0.124 0.000 2.535 109 A HA 0.468 4.791 4.320 0.004 0.000 0.296 109 A C -0.381 177.278 177.584 0.125 0.000 1.248 109 A CA -0.543 51.610 52.037 0.194 0.000 0.686 109 A CB 1.028 20.211 19.000 0.305 0.000 1.315 109 A HN 0.676 nan 8.150 nan 0.000 0.460 110 D N -0.096 120.386 120.400 0.138 0.000 2.355 110 D HA 0.168 4.811 4.640 0.004 0.000 0.206 110 D C 0.619 176.963 176.300 0.074 0.000 1.010 110 D CA 1.570 55.627 54.000 0.094 0.000 0.875 110 D CB 0.418 41.281 40.800 0.105 0.000 0.966 110 D HN 0.646 nan 8.370 nan 0.000 0.512 111 S N -1.790 113.960 115.700 0.084 0.000 2.615 111 S HA 0.504 4.976 4.470 0.004 0.000 0.269 111 S C 1.112 175.751 174.600 0.065 0.000 1.161 111 S CA -0.343 57.900 58.200 0.072 0.000 0.817 111 S CB 1.465 64.707 63.200 0.070 0.000 1.131 111 S HN -0.035 nan 8.310 nan 0.000 0.467 112 G N 1.353 110.188 108.800 0.059 0.000 2.446 112 G HA2 -0.130 3.832 3.960 0.004 0.000 0.217 112 G HA3 -0.130 3.832 3.960 0.004 0.000 0.217 112 G C 1.311 176.218 174.900 0.011 0.000 1.168 112 G CA 1.254 46.376 45.100 0.037 0.000 0.771 112 G HN 0.778 nan 8.290 nan 0.000 0.551 113 S N -0.091 115.618 115.700 0.014 0.000 2.368 113 S HA -0.114 4.358 4.470 0.004 0.000 0.225 113 S C 2.487 177.088 174.600 0.002 0.000 1.030 113 S CA 1.216 59.411 58.200 -0.008 0.000 0.999 113 S CB -0.270 62.936 63.200 0.010 0.000 0.844 113 S HN 0.184 nan 8.310 nan 0.000 0.459 114 V N 1.898 121.834 119.914 0.035 0.000 2.427 114 V HA -0.154 3.969 4.120 0.004 0.000 0.248 114 V C 2.611 178.698 176.094 -0.011 0.000 1.051 114 V CA 1.534 63.862 62.300 0.047 0.000 1.048 114 V CB -1.174 30.717 31.823 0.114 0.000 0.666 114 V HN 0.534 nan 8.190 nan 0.000 0.456 115 A N -0.240 122.584 122.820 0.007 0.000 1.933 115 A HA -0.160 4.162 4.320 0.004 0.000 0.218 115 A C 2.389 179.931 177.584 -0.070 0.000 1.175 115 A CA 2.052 54.080 52.037 -0.015 0.000 0.628 115 A CB -0.604 18.408 19.000 0.020 0.000 0.814 115 A HN 0.344 nan 8.150 nan 0.000 0.444 116 V N 0.253 120.124 119.914 -0.071 0.000 2.358 116 V HA -0.201 3.922 4.120 0.004 0.000 0.246 116 V C 2.495 178.510 176.094 -0.133 0.000 1.047 116 V CA 1.989 64.220 62.300 -0.116 0.000 1.035 116 V CB -0.675 31.079 31.823 -0.116 0.000 0.658 116 V HN 0.550 nan 8.190 nan 0.000 0.452 117 E N -0.023 120.121 120.200 -0.094 0.000 2.085 117 E HA -0.184 4.169 4.350 0.004 0.000 0.194 117 E C 2.327 178.874 176.600 -0.088 0.000 0.994 117 E CA 1.388 57.749 56.400 -0.065 0.000 0.801 117 E CB -0.373 29.335 29.700 0.013 0.000 0.743 117 E HN 0.474 nan 8.360 nan 0.000 0.453 118 V N 1.616 121.416 119.914 -0.190 0.000 2.295 118 V HA -0.269 3.854 4.120 0.004 0.000 0.246 118 V C 2.477 178.490 176.094 -0.134 0.000 1.049 118 V CA 1.833 63.987 62.300 -0.243 0.000 1.024 118 V CB -0.817 30.748 31.823 -0.431 0.000 0.648 118 V HN 0.265 nan 8.190 nan 0.000 0.447 119 A N -0.443 122.285 122.820 -0.154 0.000 1.883 119 A HA -0.285 4.037 4.320 0.004 0.000 0.217 119 A C 2.230 179.783 177.584 -0.053 0.000 1.186 119 A CA 2.488 54.442 52.037 -0.138 0.000 0.624 119 A CB -0.523 18.396 19.000 -0.135 0.000 0.822 119 A HN 0.514 nan 8.150 nan 0.000 0.444 120 M N -0.893 118.672 119.600 -0.057 0.000 2.117 120 M HA -0.173 4.310 4.480 0.004 0.000 0.262 120 M C 2.147 178.578 176.300 0.219 0.000 1.065 120 M CA 1.846 57.168 55.300 0.036 0.000 1.114 120 M CB -0.390 32.030 32.600 -0.300 0.000 1.361 120 M HN 0.317 nan 8.290 nan 0.000 0.408 121 K N 0.118 120.616 120.400 0.163 0.000 2.097 121 K HA -0.062 4.261 4.320 0.004 0.000 0.205 121 K C 1.926 178.712 176.600 0.310 0.000 1.050 121 K CA 1.307 57.748 56.287 0.257 0.000 0.938 121 K CB -0.145 32.528 32.500 0.288 0.000 0.718 121 K HN 0.329 nan 8.250 nan 0.000 0.442 122 M N 0.234 119.917 119.600 0.137 0.000 2.117 122 M HA -0.166 4.316 4.480 0.004 0.000 0.262 122 M C 2.399 178.705 176.300 0.011 0.000 1.065 122 M CA 1.620 56.858 55.300 -0.102 0.000 1.114 122 M CB -0.305 32.043 32.600 -0.420 0.000 1.361 122 M HN 0.214 nan 8.290 nan 0.000 0.408 123 A N 0.460 123.321 122.820 0.069 0.000 1.902 123 A HA -0.128 4.195 4.320 0.004 0.000 0.217 123 A C 2.085 179.821 177.584 0.252 0.000 1.181 123 A CA 1.422 53.535 52.037 0.126 0.000 0.623 123 A CB -0.919 18.219 19.000 0.231 0.000 0.818 123 A HN 0.452 nan 8.150 nan 0.000 0.443 124 L N -1.192 120.196 121.223 0.277 0.000 2.056 124 L HA -0.210 4.133 4.340 0.004 0.000 0.207 124 L C 2.893 179.895 176.870 0.221 0.000 1.078 124 L CA 1.514 56.511 54.840 0.261 0.000 0.749 124 L CB -0.560 41.645 42.059 0.243 0.000 0.901 124 L HN 0.475 nan 8.230 nan 0.000 0.433 125 Q N -1.094 118.826 119.800 0.200 0.000 2.167 125 Q HA -0.236 4.107 4.340 0.004 0.000 0.202 125 Q C 2.105 178.168 176.000 0.105 0.000 0.970 125 Q CA 1.532 57.432 55.803 0.163 0.000 0.855 125 Q CB -0.113 28.759 28.738 0.224 0.000 0.911 125 Q HN 0.446 nan 8.270 nan 0.000 0.438 126 Y N -0.461 119.789 120.300 -0.084 0.000 2.097 126 Y HA -0.284 4.268 4.550 0.004 0.000 0.282 126 Y C 1.477 177.202 175.900 -0.292 0.000 1.152 126 Y CA 1.927 59.859 58.100 -0.280 0.000 1.136 126 Y CB -0.590 37.565 38.460 -0.509 0.000 0.975 126 Y HN 0.134 nan 8.280 nan 0.000 0.498 127 W N 0.412 121.739 121.300 0.046 0.000 2.402 127 W HA -0.160 4.503 4.660 0.004 0.000 0.286 127 W C 2.668 179.136 176.519 -0.085 0.000 1.221 127 W CA 0.970 58.273 57.345 -0.071 0.000 1.257 127 W CB -0.348 29.122 29.460 0.016 0.000 1.120 127 W HN 0.123 nan 8.180 nan 0.000 0.551 128 Q N 0.942 120.842 119.800 0.166 0.000 2.084 128 Q HA -0.180 4.163 4.340 0.004 0.000 0.202 128 Q C 2.243 178.256 176.000 0.021 0.000 0.978 128 Q CA 1.946 57.803 55.803 0.089 0.000 0.844 128 Q CB -0.491 28.296 28.738 0.082 0.000 0.898 128 Q HN 0.292 nan 8.270 nan 0.000 0.426 129 A N 0.991 123.787 122.820 -0.040 0.000 1.969 129 A HA -0.131 4.191 4.320 0.004 0.000 0.218 129 A C 1.927 179.444 177.584 -0.111 0.000 1.169 129 A CA 1.287 53.275 52.037 -0.081 0.000 0.635 129 A CB -0.235 18.692 19.000 -0.122 0.000 0.810 129 A HN 0.314 nan 8.150 nan 0.000 0.445 130 K N -1.351 118.955 120.400 -0.157 0.000 2.486 130 K HA 0.151 4.473 4.320 0.004 0.000 0.194 130 K C 1.025 177.629 176.600 0.008 0.000 1.033 130 K CA 0.521 56.742 56.287 -0.109 0.000 1.004 130 K CB -0.096 32.295 32.500 -0.182 0.000 0.798 130 K HN 0.677 nan 8.250 nan 0.000 0.495 131 G N 2.224 111.041 108.800 0.029 0.000 2.137 131 G HA2 -0.264 3.699 3.960 0.004 0.000 0.237 131 G HA3 -0.264 3.699 3.960 0.004 0.000 0.237 131 G C -0.461 174.467 174.900 0.048 0.000 1.002 131 G CA -0.013 45.105 45.100 0.031 0.000 0.702 131 G HN 0.380 nan 8.290 nan 0.000 0.515 132 E N -0.154 120.106 120.200 0.101 0.000 2.179 132 E HA 0.613 4.966 4.350 0.004 0.000 0.275 132 E C 0.492 177.099 176.600 0.013 0.000 0.945 132 E CA -0.223 56.207 56.400 0.050 0.000 0.792 132 E CB 1.434 31.167 29.700 0.054 0.000 1.125 132 E HN 0.527 nan 8.360 nan 0.000 0.397 133 A N 4.727 127.520 122.820 -0.046 0.000 3.037 133 A HA 0.149 4.472 4.320 0.004 0.000 0.272 133 A C -0.113 177.403 177.584 -0.113 0.000 1.723 133 A CA -0.041 51.965 52.037 -0.050 0.000 1.413 133 A CB -0.359 18.615 19.000 -0.043 0.000 1.112 133 A HN 0.487 nan 8.150 nan 0.000 0.606 134 R N 0.850 121.260 120.500 -0.149 0.000 2.337 134 R HA 0.399 4.742 4.340 0.004 0.000 0.319 134 R C -0.220 175.974 176.300 -0.176 0.000 0.954 134 R CA -0.159 55.772 56.100 -0.283 0.000 0.840 134 R CB 1.180 31.062 30.300 -0.697 0.000 1.164 134 R HN 0.702 nan 8.270 nan 0.000 0.472 135 Q N 1.267 120.963 119.800 -0.174 0.000 2.113 135 Q HA 0.188 4.531 4.340 0.004 0.000 0.225 135 Q C -0.125 175.750 176.000 -0.208 0.000 0.786 135 Q CA -0.064 55.661 55.803 -0.130 0.000 0.989 135 Q CB 1.337 30.063 28.738 -0.021 0.000 1.174 135 Q HN 0.302 nan 8.270 nan 0.000 0.470 136 R N -0.008 120.315 120.500 -0.294 0.000 2.598 136 R HA 0.485 4.827 4.340 0.004 0.000 0.279 136 R C -0.944 175.059 176.300 -0.494 0.000 0.984 136 R CA -0.328 55.618 56.100 -0.256 0.000 0.999 136 R CB 1.063 31.249 30.300 -0.190 0.000 1.114 136 R HN -0.120 nan 8.270 nan 0.000 0.493 137 F N 1.498 121.356 119.950 -0.153 0.000 2.495 137 F HA 0.330 4.860 4.527 0.005 0.000 0.327 137 F C -0.220 175.426 175.800 -0.257 0.000 1.103 137 F CA -1.007 56.887 58.000 -0.177 0.000 0.949 137 F CB 1.472 40.363 39.000 -0.181 0.000 1.142 137 F HN 0.151 nan 8.300 nan 0.000 0.457 138 L N 3.243 124.411 121.223 -0.090 0.000 2.287 138 L HA 0.669 5.011 4.340 0.004 0.000 0.287 138 L C -0.235 176.546 176.870 -0.148 0.000 1.022 138 L CA 0.323 55.057 54.840 -0.176 0.000 0.814 138 L CB 1.118 43.059 42.059 -0.197 0.000 1.217 138 L HN 0.679 nan 8.230 nan 0.000 0.420 139 T N 3.433 117.849 114.554 -0.230 0.000 2.742 139 T HA 0.640 4.992 4.350 0.004 0.000 0.282 139 T C -1.068 173.621 174.700 -0.019 0.000 1.025 139 T CA -0.375 61.619 62.100 -0.178 0.000 1.020 139 T CB 0.615 69.395 68.868 -0.146 0.000 1.317 139 T HN 0.200 nan 8.240 nan 0.000 0.538 140 F N 1.504 121.506 119.950 0.085 0.000 2.470 140 F HA 0.635 5.165 4.527 0.004 0.000 0.329 140 F C 1.166 177.073 175.800 0.178 0.000 1.072 140 F CA -1.267 56.773 58.000 0.067 0.000 0.989 140 F CB 1.018 39.957 39.000 -0.101 0.000 1.193 140 F HN 0.428 nan 8.300 nan 0.000 0.481 141 R N 1.112 121.821 120.500 0.348 0.000 2.707 141 R HA 0.118 4.461 4.340 0.004 0.000 0.270 141 R C 0.495 176.863 176.300 0.114 0.000 1.083 141 R CA 0.005 56.230 56.100 0.209 0.000 1.182 141 R CB 0.155 30.514 30.300 0.099 0.000 1.084 141 R HN 0.702 nan 8.270 nan 0.000 0.528 142 N N -1.404 117.335 118.700 0.066 0.000 2.863 142 N HA -0.142 4.601 4.740 0.004 0.000 0.245 142 N C -0.031 175.526 175.510 0.078 0.000 1.001 142 N CA 1.228 54.302 53.050 0.041 0.000 0.901 142 N CB -0.945 37.540 38.487 -0.003 0.000 1.124 142 N HN 0.815 nan 8.380 nan 0.000 0.582 143 G N -0.334 108.544 108.800 0.129 0.000 2.476 143 G HA2 0.424 4.387 3.960 0.004 0.000 0.269 143 G HA3 0.424 4.387 3.960 0.004 0.000 0.269 143 G C -1.059 173.855 174.900 0.022 0.000 1.195 143 G CA -0.099 45.044 45.100 0.072 0.000 0.843 143 G HN 0.244 nan 8.290 nan 0.000 0.545 144 Y N 0.149 120.232 120.300 -0.362 0.000 2.361 144 Y HA 0.478 5.030 4.550 0.004 0.000 0.328 144 Y C -0.092 175.483 175.900 -0.542 0.000 1.044 144 Y CA -0.953 56.969 58.100 -0.297 0.000 1.085 144 Y CB 1.577 39.939 38.460 -0.163 0.000 1.194 144 Y HN 0.682 nan 8.280 nan 0.000 0.438 145 H N 3.379 121.994 119.070 -0.759 0.000 3.078 145 H HA 0.577 5.136 4.556 0.004 0.000 0.263 145 H C 0.458 175.384 175.328 -0.671 0.000 1.177 145 H CA 0.101 55.813 56.048 -0.560 0.000 1.128 145 H CB 1.201 30.792 29.762 -0.285 0.000 1.623 145 H HN 0.955 nan 8.280 nan 0.000 0.592 146 G N 0.069 108.189 108.800 -1.133 0.000 2.354 146 G HA2 -0.145 3.817 3.960 0.004 0.000 0.582 146 G HA3 -0.145 3.817 3.960 0.004 0.000 0.582 146 G C -0.973 173.832 174.900 -0.158 0.000 1.316 146 G CA -0.398 44.426 45.100 -0.461 0.000 0.995 146 G HN 0.116 nan 8.290 nan 0.000 0.573 147 D N -0.007 120.420 120.400 0.044 0.000 2.433 147 D HA 0.199 4.841 4.640 0.004 0.000 0.211 147 D C 1.724 178.031 176.300 0.011 0.000 1.114 147 D CA 1.141 55.203 54.000 0.104 0.000 0.837 147 D CB 0.548 41.447 40.800 0.164 0.000 0.984 147 D HN 0.768 nan 8.370 nan 0.000 0.505 148 T N -1.889 112.667 114.554 0.003 0.000 2.788 148 T HA 0.111 4.464 4.350 0.004 0.000 0.287 148 T C 1.291 176.002 174.700 0.019 0.000 1.007 148 T CA -0.754 61.356 62.100 0.017 0.000 1.005 148 T CB 0.962 69.857 68.868 0.045 0.000 1.012 148 T HN -0.102 nan 8.240 nan 0.000 0.530 149 F N 1.766 121.650 119.950 -0.111 0.000 2.063 149 F HA -0.053 4.476 4.527 0.005 0.000 0.298 149 F C 2.377 178.110 175.800 -0.112 0.000 1.109 149 F CA 2.453 60.379 58.000 -0.122 0.000 1.212 149 F CB -1.090 37.877 39.000 -0.054 0.000 0.973 149 F HN 0.719 nan 8.300 nan 0.000 0.480 150 G N -0.592 108.365 108.800 0.261 0.000 2.421 150 G HA2 -0.204 3.759 3.960 0.004 0.000 0.216 150 G HA3 -0.204 3.759 3.960 0.004 0.000 0.216 150 G C 1.805 176.623 174.900 -0.137 0.000 1.171 150 G CA 0.987 46.124 45.100 0.061 0.000 0.775 150 G HN 0.693 nan 8.290 nan 0.000 0.543 151 A N 0.633 123.393 122.820 -0.100 0.000 1.902 151 A HA 0.013 4.336 4.320 0.004 0.000 0.217 151 A C 2.469 180.000 177.584 -0.087 0.000 1.181 151 A CA 1.867 53.832 52.037 -0.120 0.000 0.623 151 A CB -0.374 18.561 19.000 -0.108 0.000 0.818 151 A HN 0.391 nan 8.150 nan 0.000 0.443 152 M N 0.532 120.073 119.600 -0.099 0.000 2.159 152 M HA -0.156 4.327 4.480 0.004 0.000 0.263 152 M C 2.342 178.640 176.300 -0.003 0.000 1.063 152 M CA 1.742 57.020 55.300 -0.038 0.000 1.110 152 M CB -0.439 32.039 32.600 -0.203 0.000 1.374 152 M HN 0.620 nan 8.290 nan 0.000 0.411 153 S N 0.106 115.696 115.700 -0.184 0.000 2.469 153 S HA -0.057 4.416 4.470 0.004 0.000 0.238 153 S C 1.374 176.043 174.600 0.116 0.000 0.998 153 S CA 1.056 59.177 58.200 -0.133 0.000 0.957 153 S CB -0.843 62.194 63.200 -0.272 0.000 0.764 153 S HN 0.474 nan 8.310 nan 0.000 0.514 154 V N -2.381 117.591 119.914 0.096 0.000 3.276 154 V HA 0.476 4.599 4.120 0.004 0.000 0.319 154 V C 0.637 176.975 176.094 0.407 0.000 1.427 154 V CA -1.135 61.248 62.300 0.139 0.000 1.102 154 V CB -1.432 30.306 31.823 -0.141 0.000 1.020 154 V HN 0.485 nan 8.190 nan 0.000 0.456 155 C N 1.290 120.838 119.300 0.413 0.000 2.422 155 C HA 0.435 4.897 4.460 0.004 0.000 0.364 155 C C 0.751 175.889 174.990 0.247 0.000 1.251 155 C CA -0.129 59.081 59.018 0.319 0.000 2.441 155 C CB 0.681 28.583 27.740 0.269 0.000 2.393 155 C HN 0.727 nan 8.230 nan 0.000 0.606 156 D N 1.700 122.161 120.400 0.101 0.000 2.487 156 D HA 0.064 4.706 4.640 0.004 0.000 0.243 156 D C -1.474 174.555 176.300 -0.452 0.000 1.154 156 D CA -0.578 53.355 54.000 -0.112 0.000 0.876 156 D CB 0.817 41.591 40.800 -0.044 0.000 1.161 156 D HN 0.263 nan 8.370 nan 0.000 0.478 157 P HA -0.101 nan 4.420 nan 0.000 0.217 157 P C 0.477 177.522 177.300 -0.426 0.000 1.150 157 P CA 0.889 63.464 63.100 -0.876 0.000 0.832 157 P CB 0.247 31.578 31.700 -0.614 0.000 0.787 158 D N -0.858 119.379 120.400 -0.272 0.000 2.120 158 D HA -0.088 4.554 4.640 0.004 0.000 0.202 158 D C 1.631 177.875 176.300 -0.094 0.000 0.972 158 D CA 0.911 54.827 54.000 -0.141 0.000 0.837 158 D CB -0.726 40.011 40.800 -0.106 0.000 0.989 158 D HN 0.077 nan 8.370 nan 0.000 0.469 159 N N 0.983 119.629 118.700 -0.089 0.000 2.104 159 N HA -0.097 4.645 4.740 0.004 0.000 0.190 159 N C 1.637 177.154 175.510 0.011 0.000 1.024 159 N CA 0.903 53.936 53.050 -0.028 0.000 0.853 159 N CB -0.330 38.152 38.487 -0.008 0.000 1.008 159 N HN 0.021 nan 8.380 nan 0.000 0.424 160 S N 0.478 116.176 115.700 -0.004 0.000 2.593 160 S HA 0.229 4.701 4.470 0.004 0.000 0.217 160 S C 0.444 175.187 174.600 0.239 0.000 0.966 160 S CA -0.142 58.145 58.200 0.144 0.000 0.914 160 S CB -0.096 63.215 63.200 0.186 0.000 0.776 160 S HN 0.289 nan 8.310 nan 0.000 0.523 161 M N 1.211 120.867 119.600 0.094 0.000 2.632 161 M HA -0.227 4.255 4.480 0.004 0.000 0.184 161 M C 0.280 176.687 176.300 0.179 0.000 0.976 161 M CA 0.383 55.736 55.300 0.088 0.000 0.612 161 M CB -1.957 30.683 32.600 0.066 0.000 1.181 161 M HN 0.502 nan 8.290 nan 0.000 0.840 162 H N -0.526 118.598 119.070 0.091 0.000 2.521 162 H HA -0.077 4.481 4.556 0.004 0.000 0.286 162 H C 2.095 177.436 175.328 0.022 0.000 1.034 162 H CA 1.223 57.376 56.048 0.174 0.000 1.278 162 H CB 0.300 30.141 29.762 0.132 0.000 1.386 162 H HN 0.836 nan 8.280 nan 0.000 0.567 163 S N 0.872 116.601 115.700 0.049 0.000 2.419 163 S HA -0.148 4.325 4.470 0.004 0.000 0.235 163 S C 2.025 176.523 174.600 -0.171 0.000 1.019 163 S CA 0.692 58.870 58.200 -0.037 0.000 0.982 163 S CB -0.569 62.605 63.200 -0.045 0.000 0.789 163 S HN 0.352 nan 8.310 nan 0.000 0.490 164 L N -1.001 119.966 121.223 -0.426 0.000 2.131 164 L HA -0.028 4.314 4.340 0.004 0.000 0.210 164 L C 1.884 178.354 176.870 -0.667 0.000 1.092 164 L CA 1.330 55.711 54.840 -0.765 0.000 0.759 164 L CB -0.483 40.717 42.059 -1.432 0.000 0.903 164 L HN 0.526 nan 8.230 nan 0.000 0.435 165 W N -1.196 120.137 121.300 0.055 0.000 3.005 165 W HA 0.261 4.923 4.660 0.004 0.000 0.374 165 W C 0.693 177.259 176.519 0.078 0.000 1.076 165 W CA -0.878 56.503 57.345 0.060 0.000 1.794 165 W CB -0.090 29.389 29.460 0.032 0.000 1.113 165 W HN -0.227 nan 8.180 nan 0.000 0.584 166 K N 1.595 122.098 120.400 0.170 0.000 2.466 166 K HA 0.219 4.542 4.320 0.004 0.000 0.278 166 K C 1.305 177.998 176.600 0.154 0.000 1.048 166 K CA 1.711 58.080 56.287 0.137 0.000 1.088 166 K CB -0.025 32.521 32.500 0.077 0.000 0.884 166 K HN 0.327 nan 8.250 nan 0.000 0.478 167 G N 3.272 112.164 108.800 0.152 0.000 2.213 167 G HA2 -0.319 3.644 3.960 0.004 0.000 0.226 167 G HA3 -0.319 3.644 3.960 0.004 0.000 0.226 167 G C 0.359 175.385 174.900 0.210 0.000 0.992 167 G CA 0.320 45.511 45.100 0.151 0.000 0.632 167 G HN 0.704 nan 8.290 nan 0.000 0.511 168 Y N 0.475 120.859 120.300 0.140 0.000 2.506 168 Y HA 0.608 5.161 4.550 0.005 0.000 0.287 168 Y C 1.504 177.499 175.900 0.157 0.000 1.147 168 Y CA 0.115 58.325 58.100 0.184 0.000 1.241 168 Y CB 0.221 38.825 38.460 0.239 0.000 1.279 168 Y HN 0.177 nan 8.280 nan 0.000 0.527 169 L N 3.120 124.396 121.223 0.088 0.000 2.417 169 L HA 0.231 4.574 4.340 0.004 0.000 0.268 169 L C -2.066 174.714 176.870 -0.149 0.000 1.158 169 L CA -1.978 52.694 54.840 -0.279 0.000 0.819 169 L CB 0.334 42.170 42.059 -0.372 0.000 1.112 169 L HN 0.085 nan 8.230 nan 0.000 0.458 170 P HA 0.100 nan 4.420 nan 0.000 0.271 170 P C -1.207 176.093 177.300 0.001 0.000 1.218 170 P CA -0.256 62.827 63.100 -0.028 0.000 0.780 170 P CB 0.454 32.169 31.700 0.024 0.000 0.901 171 E N 2.058 122.290 120.200 0.053 0.000 2.055 171 E HA 0.217 4.570 4.350 0.004 0.000 0.274 171 E C 0.023 176.679 176.600 0.094 0.000 0.949 171 E CA -0.528 55.941 56.400 0.115 0.000 0.775 171 E CB 0.520 30.284 29.700 0.106 0.000 1.097 171 E HN 0.371 nan 8.360 nan 0.000 0.404 172 N N 2.063 120.837 118.700 0.122 0.000 2.495 172 N HA 0.407 5.150 4.740 0.004 0.000 0.294 172 N C -0.447 174.943 175.510 -0.199 0.000 1.276 172 N CA -0.405 52.595 53.050 -0.084 0.000 0.973 172 N CB 0.745 39.124 38.487 -0.179 0.000 1.143 172 N HN 0.270 nan 8.380 nan 0.000 0.589 173 L N 1.032 122.028 121.223 -0.379 0.000 2.282 173 L HA 0.430 4.773 4.340 0.004 0.000 0.288 173 L C -0.842 175.774 176.870 -0.425 0.000 1.033 173 L CA -0.414 54.244 54.840 -0.304 0.000 0.807 173 L CB 0.382 42.249 42.059 -0.320 0.000 1.209 173 L HN 0.289 nan 8.230 nan 0.000 0.423 174 F N 2.347 122.305 119.950 0.014 0.000 2.382 174 F HA 0.561 5.091 4.527 0.004 0.000 0.361 174 F C 0.681 176.540 175.800 0.098 0.000 1.109 174 F CA -0.541 57.499 58.000 0.068 0.000 1.031 174 F CB 1.400 40.440 39.000 0.067 0.000 1.234 174 F HN 0.486 nan 8.300 nan 0.000 0.445 175 A N 4.921 127.910 122.820 0.281 0.000 2.332 175 A HA 0.689 5.011 4.320 0.004 0.000 0.258 175 A C -2.423 175.346 177.584 0.308 0.000 1.087 175 A CA -1.611 50.623 52.037 0.330 0.000 0.802 175 A CB -0.052 19.269 19.000 0.535 0.000 1.042 175 A HN 0.393 nan 8.150 nan 0.000 0.489 176 P HA 0.255 nan 4.420 nan 0.000 0.269 176 P C -0.191 177.053 177.300 -0.093 0.000 1.215 176 P CA 0.177 63.326 63.100 0.081 0.000 0.780 176 P CB 0.366 32.109 31.700 0.072 0.000 0.898 177 A N 4.369 127.093 122.820 -0.161 0.000 2.498 177 A HA 0.290 4.613 4.320 0.004 0.000 0.239 177 A C -1.993 175.248 177.584 -0.571 0.000 1.068 177 A CA -0.902 50.896 52.037 -0.398 0.000 0.766 177 A CB -1.499 17.375 19.000 -0.211 0.000 1.003 177 A HN 0.411 nan 8.150 nan 0.000 0.497 178 P HA 0.108 nan 4.420 nan 0.000 0.264 178 P C -0.044 177.105 177.300 -0.252 0.000 1.193 178 P CA 0.329 62.902 63.100 -0.878 0.000 0.763 178 P CB 0.546 31.251 31.700 -1.659 0.000 0.810 179 Q N 0.673 120.472 119.800 -0.001 0.000 2.259 179 Q HA 0.064 4.406 4.340 0.004 0.000 0.201 179 Q C 0.337 176.389 176.000 0.086 0.000 0.938 179 Q CA 0.522 56.336 55.803 0.019 0.000 0.872 179 Q CB -0.009 28.726 28.738 -0.005 0.000 0.971 179 Q HN 0.413 nan 8.270 nan 0.000 0.494 180 S N 1.621 117.414 115.700 0.155 0.000 2.537 180 S HA 0.100 4.572 4.470 0.004 0.000 0.286 180 S C -0.032 174.758 174.600 0.316 0.000 1.299 180 S CA 0.038 58.357 58.200 0.198 0.000 1.067 180 S CB 0.410 63.729 63.200 0.198 0.000 0.864 180 S HN 0.179 nan 8.310 nan 0.000 0.494 181 R N 1.618 122.263 120.500 0.241 0.000 2.531 181 R HA 0.221 4.564 4.340 0.004 0.000 0.273 181 R C 1.464 177.889 176.300 0.209 0.000 1.070 181 R CA -0.648 55.572 56.100 0.200 0.000 1.112 181 R CB 0.232 30.603 30.300 0.119 0.000 1.049 181 R HN 0.611 nan 8.270 nan 0.000 0.508 182 M N 1.435 121.091 119.600 0.092 0.000 2.117 182 M HA -0.156 4.327 4.480 0.004 0.000 0.262 182 M C 0.845 177.118 176.300 -0.046 0.000 1.065 182 M CA 1.963 57.233 55.300 -0.049 0.000 1.114 182 M CB -0.104 32.425 32.600 -0.119 0.000 1.361 182 M HN 0.553 nan 8.290 nan 0.000 0.408 183 D N 0.161 120.568 120.400 0.011 0.000 2.117 183 D HA 0.006 4.649 4.640 0.004 0.000 0.198 183 D C 1.311 177.646 176.300 0.059 0.000 0.982 183 D CA 1.444 55.457 54.000 0.022 0.000 0.828 183 D CB -0.455 40.365 40.800 0.032 0.000 0.967 183 D HN 0.507 nan 8.370 nan 0.000 0.464 184 G N -0.326 108.538 108.800 0.107 0.000 2.666 184 G HA2 0.443 4.406 3.960 0.004 0.000 0.207 184 G HA3 0.443 4.406 3.960 0.004 0.000 0.207 184 G C 0.045 175.085 174.900 0.234 0.000 1.481 184 G CA 0.283 45.466 45.100 0.139 0.000 1.071 184 G HN 0.288 nan 8.290 nan 0.000 0.572 185 E N -1.084 119.236 120.200 0.199 0.000 2.280 185 E HA 0.463 4.815 4.350 0.004 0.000 0.264 185 E C -0.655 176.063 176.600 0.198 0.000 1.064 185 E CA -1.072 55.452 56.400 0.207 0.000 0.900 185 E CB 0.933 30.695 29.700 0.103 0.000 1.123 185 E HN 0.565 nan 8.360 nan 0.000 0.418 186 W N 1.927 123.143 121.300 -0.140 0.000 2.315 186 W HA 0.459 5.121 4.660 0.004 0.000 0.316 186 W C -1.133 175.288 176.519 -0.165 0.000 1.211 186 W CA -0.024 57.119 57.345 -0.337 0.000 1.201 186 W CB 1.062 30.193 29.460 -0.547 0.000 1.184 186 W HN 0.685 nan 8.180 nan 0.000 0.544 187 D N 3.621 123.401 120.400 -1.032 0.000 2.481 187 D HA 0.099 4.742 4.640 0.004 0.000 0.246 187 D C 0.601 176.139 176.300 -1.268 0.000 1.109 187 D CA -0.219 53.285 54.000 -0.827 0.000 0.845 187 D CB 1.539 42.073 40.800 -0.443 0.000 1.160 187 D HN 0.464 nan 8.370 nan 0.000 0.534 188 E N 2.198 121.904 120.200 -0.824 0.000 2.409 188 E HA -0.109 4.244 4.350 0.004 0.000 0.198 188 E C 1.502 177.896 176.600 -0.344 0.000 1.024 188 E CA 0.280 56.383 56.400 -0.495 0.000 0.861 188 E CB 0.271 29.916 29.700 -0.093 0.000 0.788 188 E HN 0.468 nan 8.360 nan 0.000 0.521 189 R N 0.695 121.009 120.500 -0.310 0.000 2.189 189 R HA -0.128 4.215 4.340 0.004 0.000 0.223 189 R C 1.636 177.835 176.300 -0.168 0.000 1.092 189 R CA 0.816 56.807 56.100 -0.181 0.000 0.989 189 R CB 0.053 30.269 30.300 -0.140 0.000 0.876 189 R HN 0.083 nan 8.270 nan 0.000 0.457 190 D N 0.115 120.332 120.400 -0.306 0.000 2.182 190 D HA -0.166 4.477 4.640 0.004 0.000 0.201 190 D C 1.556 177.871 176.300 0.026 0.000 0.986 190 D CA 1.069 54.981 54.000 -0.147 0.000 0.847 190 D CB 0.165 40.759 40.800 -0.344 0.000 0.942 190 D HN 0.111 nan 8.370 nan 0.000 0.467 191 M N 0.043 119.548 119.600 -0.158 0.000 2.492 191 M HA -0.036 4.446 4.480 0.004 0.000 0.262 191 M C 2.332 178.742 176.300 0.183 0.000 1.090 191 M CA 0.312 55.600 55.300 -0.019 0.000 1.110 191 M CB -0.884 31.667 32.600 -0.081 0.000 1.407 191 M HN 0.027 nan 8.290 nan 0.000 0.470 192 V N -0.033 119.948 119.914 0.112 0.000 2.282 192 V HA -0.162 3.960 4.120 0.004 0.000 0.249 192 V C 2.135 178.329 176.094 0.167 0.000 1.057 192 V CA 2.577 64.945 62.300 0.115 0.000 1.032 192 V CB -1.612 30.246 31.823 0.058 0.000 0.645 192 V HN 0.399 nan 8.190 nan 0.000 0.447 193 G N -1.189 107.736 108.800 0.208 0.000 2.421 193 G HA2 -0.295 3.667 3.960 0.004 0.000 0.216 193 G HA3 -0.295 3.667 3.960 0.004 0.000 0.216 193 G C 1.533 176.590 174.900 0.262 0.000 1.171 193 G CA 1.094 46.320 45.100 0.209 0.000 0.775 193 G HN 0.620 nan 8.290 nan 0.000 0.543 194 F N 2.345 122.456 119.950 0.269 0.000 2.102 194 F HA 0.021 4.551 4.527 0.004 0.000 0.298 194 F C 2.843 178.756 175.800 0.189 0.000 1.105 194 F CA 1.515 59.691 58.000 0.292 0.000 1.239 194 F CB -0.189 39.133 39.000 0.536 0.000 0.991 194 F HN 0.230 nan 8.300 nan 0.000 0.474 195 A N 0.450 123.468 122.820 0.329 0.000 1.902 195 A HA -0.233 4.090 4.320 0.004 0.000 0.217 195 A C 2.323 179.930 177.584 0.039 0.000 1.181 195 A CA 1.817 53.956 52.037 0.169 0.000 0.623 195 A CB -0.900 18.201 19.000 0.168 0.000 0.818 195 A HN 0.491 nan 8.150 nan 0.000 0.443 196 R N -0.368 120.162 120.500 0.050 0.000 2.081 196 R HA -0.062 4.281 4.340 0.004 0.000 0.235 196 R C 1.960 178.254 176.300 -0.011 0.000 1.131 196 R CA 1.605 57.717 56.100 0.019 0.000 0.960 196 R CB -0.411 29.915 30.300 0.044 0.000 0.856 196 R HN 0.504 nan 8.270 nan 0.000 0.436 197 L N 0.157 121.370 121.223 -0.018 0.000 2.056 197 L HA -0.171 4.172 4.340 0.004 0.000 0.207 197 L C 2.658 179.497 176.870 -0.051 0.000 1.078 197 L CA 1.121 55.967 54.840 0.010 0.000 0.749 197 L CB -0.321 41.695 42.059 -0.071 0.000 0.901 197 L HN 0.330 nan 8.230 nan 0.000 0.433 198 M N 0.123 119.594 119.600 -0.214 0.000 2.117 198 M HA -0.146 4.337 4.480 0.004 0.000 0.262 198 M C 2.277 178.486 176.300 -0.152 0.000 1.065 198 M CA 2.125 57.294 55.300 -0.218 0.000 1.114 198 M CB -0.476 31.982 32.600 -0.237 0.000 1.361 198 M HN 0.157 nan 8.290 nan 0.000 0.408 199 A N -0.234 122.515 122.820 -0.118 0.000 1.908 199 A HA 0.025 4.348 4.320 0.004 0.000 0.218 199 A C 2.357 179.833 177.584 -0.180 0.000 1.181 199 A CA 2.175 54.138 52.037 -0.123 0.000 0.627 199 A CB -1.446 17.510 19.000 -0.074 0.000 0.818 199 A HN 0.674 nan 8.150 nan 0.000 0.445 200 A N -1.667 121.026 122.820 -0.213 0.000 2.016 200 A HA 0.011 4.334 4.320 0.004 0.000 0.217 200 A C 1.579 178.802 177.584 -0.601 0.000 1.162 200 A CA 1.550 53.346 52.037 -0.402 0.000 0.662 200 A CB -0.471 18.223 19.000 -0.511 0.000 0.812 200 A HN 0.692 nan 8.150 nan 0.000 0.450 201 H N -1.511 117.470 119.070 -0.149 0.000 2.785 201 H HA 0.143 4.702 4.556 0.005 0.000 0.268 201 H C 1.724 176.923 175.328 -0.216 0.000 1.153 201 H CA 0.186 56.141 56.048 -0.155 0.000 1.111 201 H CB 0.302 29.980 29.762 -0.140 0.000 1.633 201 H HN 0.627 nan 8.280 nan 0.000 0.576 202 R N 0.123 120.487 120.500 -0.227 0.000 2.119 202 R HA -0.222 4.121 4.340 0.004 0.000 0.246 202 R C 0.608 176.715 176.300 -0.321 0.000 1.146 202 R CA 2.189 58.102 56.100 -0.312 0.000 0.962 202 R CB -0.816 29.230 30.300 -0.424 0.000 0.863 202 R HN 0.493 nan 8.270 nan 0.000 0.442 203 H N 0.413 119.409 119.070 -0.123 0.000 2.546 203 H HA -0.001 4.557 4.556 0.004 0.000 0.277 203 H C 0.948 176.158 175.328 -0.197 0.000 1.004 203 H CA 1.162 57.116 56.048 -0.155 0.000 1.231 203 H CB 0.210 29.903 29.762 -0.115 0.000 1.382 203 H HN 0.690 nan 8.280 nan 0.000 0.580 204 E N 0.373 120.523 120.200 -0.083 0.000 2.562 204 E HA 0.162 4.515 4.350 0.004 0.000 0.214 204 E C -0.231 176.228 176.600 -0.234 0.000 0.979 204 E CA -0.147 56.170 56.400 -0.140 0.000 1.002 204 E CB 0.500 30.165 29.700 -0.058 0.000 1.048 204 E HN 0.278 nan 8.360 nan 0.000 0.488 205 I N 1.854 122.266 120.570 -0.262 0.000 2.416 205 I HA 0.150 4.322 4.170 0.004 0.000 0.288 205 I C 1.102 176.965 176.117 -0.424 0.000 1.051 205 I CA -0.267 60.848 61.300 -0.309 0.000 1.375 205 I CB 1.531 39.393 38.000 -0.229 0.000 1.407 205 I HN 0.193 nan 8.210 nan 0.000 0.516 206 A N 5.546 128.076 122.820 -0.483 0.000 1.935 206 A HA 0.568 4.890 4.320 0.004 0.000 0.214 206 A C 0.958 178.511 177.584 -0.051 0.000 1.178 206 A CA 1.078 52.908 52.037 -0.344 0.000 0.640 206 A CB 0.090 18.890 19.000 -0.334 0.000 0.825 206 A HN 0.774 nan 8.150 nan 0.000 0.447 207 A N -1.944 120.719 122.820 -0.260 0.000 2.612 207 A HA 0.570 4.892 4.320 0.004 0.000 0.293 207 A C -1.215 176.370 177.584 0.002 0.000 1.075 207 A CA -0.370 51.654 52.037 -0.021 0.000 0.680 207 A CB 0.677 19.752 19.000 0.125 0.000 1.279 207 A HN 0.407 nan 8.150 nan 0.000 0.411 208 V N 1.557 121.494 119.914 0.039 0.000 2.439 208 V HA 0.555 4.678 4.120 0.004 0.000 0.282 208 V C -0.254 175.839 176.094 -0.001 0.000 1.039 208 V CA -0.205 62.112 62.300 0.028 0.000 0.913 208 V CB 1.327 33.196 31.823 0.077 0.000 0.983 208 V HN 0.733 nan 8.190 nan 0.000 0.460 209 I N 7.145 127.675 120.570 -0.066 0.000 2.466 209 I HA 0.699 4.872 4.170 0.004 0.000 0.289 209 I C -0.738 175.276 176.117 -0.171 0.000 1.026 209 I CA -0.434 60.770 61.300 -0.160 0.000 1.078 209 I CB 1.045 38.858 38.000 -0.312 0.000 1.249 209 I HN 0.729 nan 8.210 nan 0.000 0.429 210 I N 2.637 123.164 120.570 -0.071 0.000 3.095 210 I HA 0.558 4.731 4.170 0.004 0.000 0.310 210 I C -1.370 174.885 176.117 0.230 0.000 1.196 210 I CA -0.911 60.435 61.300 0.076 0.000 0.985 210 I CB 2.316 40.265 38.000 -0.085 0.000 1.250 210 I HN 0.476 nan 8.210 nan 0.000 0.446 211 E N 4.136 124.510 120.200 0.289 0.000 2.130 211 E HA 0.345 4.697 4.350 0.004 0.000 0.284 211 E C -2.442 174.315 176.600 0.261 0.000 1.018 211 E CA -1.787 54.735 56.400 0.203 0.000 0.817 211 E CB 0.945 30.715 29.700 0.117 0.000 1.078 211 E HN 0.380 nan 8.360 nan 0.000 0.396 212 P HA 0.010 nan 4.420 nan 0.000 0.276 212 P C 0.630 177.899 177.300 -0.051 0.000 1.243 212 P CA -0.038 63.148 63.100 0.144 0.000 0.768 212 P CB 0.811 32.571 31.700 0.099 0.000 0.856 213 I N 0.408 120.697 120.570 -0.468 0.000 4.270 213 I HA -0.278 3.895 4.170 0.004 0.000 0.084 213 I C 0.420 176.177 176.117 -0.600 0.000 0.554 213 I CA 1.451 62.230 61.300 -0.868 0.000 1.128 213 I CB -2.056 35.704 38.000 -0.400 0.000 1.004 213 I HN 0.182 nan 8.210 nan 0.000 0.177 214 V N 3.286 123.096 119.914 -0.174 0.000 2.448 214 V HA 0.366 4.489 4.120 0.004 0.000 0.295 214 V C 0.347 176.496 176.094 0.092 0.000 1.025 214 V CA -0.508 61.791 62.300 -0.002 0.000 0.859 214 V CB 1.659 33.521 31.823 0.066 0.000 0.988 214 V HN 0.235 nan 8.190 nan 0.000 0.431 215 Q N 3.133 123.023 119.800 0.150 0.000 2.421 215 Q HA 0.368 4.711 4.340 0.004 0.000 0.242 215 Q C 1.090 177.155 176.000 0.109 0.000 1.024 215 Q CA -0.029 55.853 55.803 0.132 0.000 0.891 215 Q CB 1.703 30.519 28.738 0.130 0.000 1.222 215 Q HN 0.958 nan 8.270 nan 0.000 0.483 216 G N 1.843 110.704 108.800 0.102 0.000 2.752 216 G HA2 -0.204 3.759 3.960 0.004 0.000 0.209 216 G HA3 -0.204 3.759 3.960 0.004 0.000 0.209 216 G C 1.143 176.121 174.900 0.130 0.000 1.392 216 G CA 0.712 45.931 45.100 0.199 0.000 0.873 216 G HN 0.650 nan 8.290 nan 0.000 0.586 217 A N 0.155 123.008 122.820 0.055 0.000 2.131 217 A HA 0.174 4.497 4.320 0.004 0.000 0.220 217 A C 2.427 180.012 177.584 0.001 0.000 1.158 217 A CA 1.971 53.941 52.037 -0.112 0.000 0.665 217 A CB -0.710 17.908 19.000 -0.636 0.000 0.795 217 A HN 0.742 nan 8.150 nan 0.000 0.460 218 G N -2.092 106.735 108.800 0.045 0.000 2.920 218 G HA2 0.362 4.324 3.960 0.004 0.000 0.208 218 G HA3 0.362 4.324 3.960 0.004 0.000 0.208 218 G C 0.844 175.761 174.900 0.028 0.000 1.159 218 G CA 0.861 45.993 45.100 0.053 0.000 0.784 218 G HN 1.425 nan 8.290 nan 0.000 0.535 219 G N -0.984 107.830 108.800 0.023 0.000 4.106 219 G HA2 -0.029 3.934 3.960 0.004 0.000 0.220 219 G HA3 -0.029 3.934 3.960 0.004 0.000 0.220 219 G C 0.568 175.450 174.900 -0.030 0.000 0.853 219 G CA 0.008 45.091 45.100 -0.028 0.000 0.920 219 G HN 0.209 nan 8.290 nan 0.000 0.715 220 M N 0.325 119.919 119.600 -0.010 0.000 2.249 220 M HA -0.145 4.338 4.480 0.004 0.000 0.198 220 M C 0.331 176.647 176.300 0.027 0.000 0.394 220 M CA 0.829 56.122 55.300 -0.011 0.000 0.427 220 M CB -2.017 30.500 32.600 -0.137 0.000 1.307 220 M HN 0.564 nan 8.290 nan 0.000 0.924 221 R N 0.010 120.543 120.500 0.055 0.000 2.404 221 R HA 0.722 5.065 4.340 0.004 0.000 0.291 221 R C 0.213 176.570 176.300 0.095 0.000 1.025 221 R CA -0.314 55.827 56.100 0.068 0.000 0.991 221 R CB 1.020 31.361 30.300 0.068 0.000 1.053 221 R HN 0.359 nan 8.270 nan 0.000 0.479 222 M N 4.130 123.777 119.600 0.077 0.000 2.085 222 M HA 0.305 4.787 4.480 0.004 0.000 0.309 222 M C -1.207 175.137 176.300 0.072 0.000 0.947 222 M CA -0.798 54.515 55.300 0.021 0.000 0.918 222 M CB 1.146 33.742 32.600 -0.007 0.000 1.504 222 M HN 0.544 nan 8.290 nan 0.000 0.420 223 Y N -1.074 119.245 120.300 0.030 0.000 2.602 223 Y HA 0.604 5.156 4.550 0.004 0.000 0.330 223 Y C -0.027 175.983 175.900 0.184 0.000 1.114 223 Y CA -1.340 56.823 58.100 0.105 0.000 1.182 223 Y CB 0.564 39.054 38.460 0.051 0.000 1.305 223 Y HN 0.477 nan 8.280 nan 0.000 0.502 224 H N 2.684 122.050 119.070 0.493 0.000 2.848 224 H HA 0.131 4.690 4.556 0.004 0.000 0.341 224 H C -1.880 173.677 175.328 0.382 0.000 1.060 224 H CA -1.907 54.377 56.048 0.394 0.000 1.444 224 H CB 1.755 31.845 29.762 0.545 0.000 1.446 224 H HN 0.506 nan 8.280 nan 0.000 0.583 225 P HA -0.134 nan 4.420 nan 0.000 0.220 225 P C 1.267 178.716 177.300 0.249 0.000 1.148 225 P CA 0.964 64.172 63.100 0.178 0.000 0.803 225 P CB 0.406 32.124 31.700 0.031 0.000 0.782 226 E N -0.958 119.417 120.200 0.292 0.000 2.130 226 E HA -0.203 4.150 4.350 0.004 0.000 0.196 226 E C 1.734 178.125 176.600 -0.347 0.000 0.998 226 E CA 1.337 57.531 56.400 -0.343 0.000 0.806 226 E CB -1.028 27.904 29.700 -1.281 0.000 0.738 226 E HN 0.253 nan 8.360 nan 0.000 0.459 227 W N 0.370 121.650 121.300 -0.034 0.000 2.304 227 W HA -0.220 4.443 4.660 0.005 0.000 0.315 227 W C 2.086 178.667 176.519 0.103 0.000 1.233 227 W CA 1.405 58.848 57.345 0.163 0.000 1.261 227 W CB -0.311 29.394 29.460 0.408 0.000 1.150 227 W HN 0.133 nan 8.180 nan 0.000 0.494 228 L N -0.209 121.276 121.223 0.436 0.000 2.056 228 L HA -0.223 4.120 4.340 0.004 0.000 0.207 228 L C 2.430 179.375 176.870 0.125 0.000 1.078 228 L CA 1.344 56.345 54.840 0.268 0.000 0.749 228 L CB -0.917 41.278 42.059 0.228 0.000 0.901 228 L HN -0.031 nan 8.230 nan 0.000 0.433 229 K N -0.153 120.283 120.400 0.061 0.000 2.032 229 K HA -0.174 4.149 4.320 0.004 0.000 0.209 229 K C 2.414 178.997 176.600 -0.029 0.000 1.048 229 K CA 1.207 57.488 56.287 -0.009 0.000 0.927 229 K CB 0.085 32.541 32.500 -0.073 0.000 0.712 229 K HN 0.132 nan 8.250 nan 0.000 0.441 230 R N 0.517 120.973 120.500 -0.073 0.000 2.073 230 R HA -0.099 4.243 4.340 0.004 0.000 0.234 230 R C 2.347 178.649 176.300 0.003 0.000 1.134 230 R CA 1.271 57.326 56.100 -0.074 0.000 0.952 230 R CB -0.713 29.482 30.300 -0.174 0.000 0.850 230 R HN 0.336 nan 8.270 nan 0.000 0.433 231 I N 0.562 121.151 120.570 0.032 0.000 2.179 231 I HA -0.294 3.879 4.170 0.004 0.000 0.242 231 I C 2.733 178.891 176.117 0.067 0.000 1.088 231 I CA 1.261 62.578 61.300 0.027 0.000 1.357 231 I CB -0.266 37.732 38.000 -0.003 0.000 1.051 231 I HN 0.056 nan 8.210 nan 0.000 0.409 232 R N 1.643 122.175 120.500 0.053 0.000 2.083 232 R HA -0.206 4.136 4.340 0.004 0.000 0.237 232 R C 2.074 178.400 176.300 0.044 0.000 1.137 232 R CA 1.794 57.920 56.100 0.044 0.000 0.951 232 R CB -0.248 30.070 30.300 0.031 0.000 0.851 232 R HN 0.039 nan 8.270 nan 0.000 0.434 233 K N 0.246 120.668 120.400 0.036 0.000 2.057 233 K HA 0.022 4.345 4.320 0.004 0.000 0.206 233 K C 2.015 178.649 176.600 0.057 0.000 1.050 233 K CA 1.531 57.838 56.287 0.034 0.000 0.935 233 K CB -0.406 32.103 32.500 0.016 0.000 0.715 233 K HN 0.267 nan 8.250 nan 0.000 0.439 234 I N 0.043 120.663 120.570 0.084 0.000 2.179 234 I HA -0.373 3.800 4.170 0.004 0.000 0.242 234 I C 2.051 178.233 176.117 0.109 0.000 1.088 234 I CA 1.044 62.416 61.300 0.120 0.000 1.357 234 I CB -0.295 37.838 38.000 0.221 0.000 1.051 234 I HN 0.107 nan 8.210 nan 0.000 0.409 235 C N 0.586 119.954 119.300 0.114 0.000 2.429 235 C HA -0.177 4.286 4.460 0.004 0.000 0.277 235 C C 2.477 177.515 174.990 0.080 0.000 1.262 235 C CA 0.790 59.867 59.018 0.097 0.000 1.733 235 C CB -1.043 26.749 27.740 0.087 0.000 2.010 235 C HN 0.528 nan 8.230 nan 0.000 0.483 236 D N 0.358 120.796 120.400 0.064 0.000 2.104 236 D HA -0.127 4.516 4.640 0.004 0.000 0.194 236 D C 2.329 178.665 176.300 0.060 0.000 0.994 236 D CA 1.312 55.346 54.000 0.056 0.000 0.830 236 D CB -0.448 40.376 40.800 0.040 0.000 0.959 236 D HN 0.298 nan 8.370 nan 0.000 0.452 237 R N 0.670 121.203 120.500 0.055 0.000 2.081 237 R HA -0.044 4.299 4.340 0.004 0.000 0.235 237 R C 1.909 178.240 176.300 0.052 0.000 1.131 237 R CA 0.960 57.089 56.100 0.049 0.000 0.960 237 R CB -0.109 30.216 30.300 0.043 0.000 0.856 237 R HN 0.198 nan 8.270 nan 0.000 0.436 238 E N -1.327 118.905 120.200 0.054 0.000 2.435 238 E HA 0.097 4.450 4.350 0.004 0.000 0.195 238 E C 0.901 177.542 176.600 0.069 0.000 1.029 238 E CA 0.825 57.248 56.400 0.038 0.000 0.865 238 E CB 0.392 30.096 29.700 0.007 0.000 0.833 238 E HN 0.492 nan 8.360 nan 0.000 0.510 239 G N 1.814 110.684 108.800 0.116 0.000 2.143 239 G HA2 -0.284 3.678 3.960 0.004 0.000 0.249 239 G HA3 -0.284 3.678 3.960 0.004 0.000 0.249 239 G C 0.318 175.409 174.900 0.318 0.000 0.981 239 G CA 0.241 45.468 45.100 0.211 0.000 0.665 239 G HN 0.240 nan 8.290 nan 0.000 0.528 240 I N 0.832 121.522 120.570 0.200 0.000 2.499 240 I HA 0.409 4.582 4.170 0.004 0.000 0.296 240 I C 1.166 177.405 176.117 0.202 0.000 0.992 240 I CA -0.952 60.482 61.300 0.223 0.000 1.297 240 I CB 1.111 39.150 38.000 0.065 0.000 1.410 240 I HN -0.037 nan 8.210 nan 0.000 0.507 241 L N 5.427 126.785 121.223 0.226 0.000 2.417 241 L HA 0.269 4.612 4.340 0.004 0.000 0.268 241 L C -0.424 176.465 176.870 0.032 0.000 1.158 241 L CA -0.459 54.411 54.840 0.050 0.000 0.819 241 L CB 0.854 42.885 42.059 -0.047 0.000 1.112 241 L HN 0.384 nan 8.230 nan 0.000 0.458 242 L N 4.138 125.355 121.223 -0.011 0.000 2.305 242 L HA 0.531 4.873 4.340 0.004 0.000 0.284 242 L C -0.615 176.232 176.870 -0.038 0.000 1.013 242 L CA 0.071 54.907 54.840 -0.006 0.000 0.819 242 L CB 1.212 43.272 42.059 0.002 0.000 1.227 242 L HN 0.336 nan 8.230 nan 0.000 0.417 243 I N 5.458 126.007 120.570 -0.036 0.000 2.330 243 I HA 0.565 4.738 4.170 0.004 0.000 0.289 243 I C 0.082 176.160 176.117 -0.064 0.000 1.001 243 I CA -0.471 60.790 61.300 -0.065 0.000 1.193 243 I CB 1.620 39.575 38.000 -0.075 0.000 1.345 243 I HN 0.800 nan 8.210 nan 0.000 0.461 244 A N 4.837 127.620 122.820 -0.061 0.000 2.249 244 A HA 0.342 4.664 4.320 0.004 0.000 0.314 244 A C -0.527 177.037 177.584 -0.034 0.000 1.290 244 A CA -0.484 51.535 52.037 -0.030 0.000 0.893 244 A CB 0.454 19.436 19.000 -0.030 0.000 1.165 244 A HN 0.658 nan 8.150 nan 0.000 0.530 245 D N 2.613 123.023 120.400 0.016 0.000 2.411 245 D HA 0.149 4.791 4.640 0.004 0.000 0.225 245 D C 0.173 176.475 176.300 0.003 0.000 1.156 245 D CA 0.108 54.127 54.000 0.031 0.000 0.874 245 D CB 0.566 41.475 40.800 0.182 0.000 1.034 245 D HN 0.573 nan 8.370 nan 0.000 0.502 246 E N 3.558 123.737 120.200 -0.035 0.000 2.496 246 E HA 0.106 4.459 4.350 0.004 0.000 0.202 246 E C 1.537 178.091 176.600 -0.077 0.000 1.021 246 E CA -0.203 56.164 56.400 -0.054 0.000 1.015 246 E CB 0.567 30.251 29.700 -0.027 0.000 1.102 246 E HN 0.620 nan 8.360 nan 0.000 0.452 247 I N 0.818 121.342 120.570 -0.077 0.000 2.286 247 I HA -0.266 3.907 4.170 0.004 0.000 0.248 247 I C 2.288 178.296 176.117 -0.183 0.000 1.115 247 I CA 1.377 62.635 61.300 -0.070 0.000 1.392 247 I CB 0.006 37.979 38.000 -0.045 0.000 1.065 247 I HN 0.120 nan 8.210 nan 0.000 0.418 248 A N -0.083 122.500 122.820 -0.395 0.000 2.014 248 A HA -0.040 4.282 4.320 0.004 0.000 0.210 248 A C 2.263 179.485 177.584 -0.603 0.000 1.188 248 A CA 1.054 52.569 52.037 -0.869 0.000 0.731 248 A CB -0.609 17.407 19.000 -1.640 0.000 0.858 248 A HN 0.424 nan 8.150 nan 0.000 0.464 249 T N -2.415 111.939 114.554 -0.334 0.000 3.067 249 T HA 0.292 4.644 4.350 0.004 0.000 0.257 249 T C 1.173 175.818 174.700 -0.092 0.000 1.105 249 T CA 0.534 62.549 62.100 -0.141 0.000 1.104 249 T CB -0.483 68.341 68.868 -0.073 0.000 0.925 249 T HN 0.408 nan 8.240 nan 0.000 0.498 250 G N 0.625 109.344 108.800 -0.135 0.000 2.664 250 G HA2 0.368 4.331 3.960 0.004 0.000 0.242 250 G HA3 0.368 4.331 3.960 0.004 0.000 0.242 250 G C -0.298 174.345 174.900 -0.428 0.000 1.225 250 G CA -0.683 44.202 45.100 -0.358 0.000 0.849 250 G HN 0.380 nan 8.290 nan 0.000 0.581 251 F N -0.925 118.704 119.950 -0.535 0.000 3.040 251 F HA -0.197 4.333 4.527 0.004 0.000 0.298 251 F C 1.768 177.261 175.800 -0.512 0.000 0.948 251 F CA 1.395 59.061 58.000 -0.556 0.000 1.022 251 F CB -1.604 37.222 39.000 -0.289 0.000 1.023 251 F HN 1.706 nan 8.300 nan 0.000 0.742 252 G N -0.883 107.546 108.800 -0.620 0.000 2.179 252 G HA2 -0.457 3.506 3.960 0.004 0.000 0.260 252 G HA3 -0.457 3.506 3.960 0.004 0.000 0.260 252 G C 1.037 175.859 174.900 -0.130 0.000 0.977 252 G CA 0.772 45.448 45.100 -0.707 0.000 0.641 252 G HN 0.692 nan 8.290 nan 0.000 0.533 253 R N 1.271 121.832 120.500 0.102 0.000 2.127 253 R HA -0.040 4.303 4.340 0.004 0.000 0.238 253 R C 2.648 179.065 176.300 0.193 0.000 1.134 253 R CA 2.730 58.985 56.100 0.258 0.000 0.975 253 R CB -0.786 29.754 30.300 0.400 0.000 0.865 253 R HN 0.723 nan 8.270 nan 0.000 0.447 254 T N -3.933 110.723 114.554 0.169 0.000 3.144 254 T HA 0.315 4.668 4.350 0.004 0.000 0.249 254 T C 1.232 176.084 174.700 0.254 0.000 1.089 254 T CA 0.314 62.538 62.100 0.207 0.000 0.989 254 T CB 0.412 69.425 68.868 0.242 0.000 0.992 254 T HN 0.404 nan 8.240 nan 0.000 0.540 255 G N 0.931 109.856 108.800 0.210 0.000 2.232 255 G HA2 -0.175 3.787 3.960 0.004 0.000 0.226 255 G HA3 -0.175 3.787 3.960 0.004 0.000 0.226 255 G C -0.033 175.025 174.900 0.264 0.000 0.996 255 G CA -0.166 45.071 45.100 0.228 0.000 0.626 255 G HN 0.638 nan 8.290 nan 0.000 0.509 256 K N -0.396 120.086 120.400 0.136 0.000 2.281 256 K HA 0.653 4.975 4.320 0.004 0.000 0.242 256 K C 0.934 177.503 176.600 -0.052 0.000 0.971 256 K CA -0.797 55.524 56.287 0.057 0.000 0.834 256 K CB 2.283 34.592 32.500 -0.318 0.000 1.181 256 K HN 0.048 nan 8.250 nan 0.000 0.435 257 L N 1.109 122.287 121.223 -0.075 0.000 2.012 257 L HA -0.019 4.324 4.340 0.004 0.000 0.210 257 L C -0.152 176.153 176.870 -0.943 0.000 1.073 257 L CA 1.958 56.430 54.840 -0.614 0.000 0.748 257 L CB -0.004 41.829 42.059 -0.377 0.000 0.891 257 L HN 0.421 nan 8.230 nan 0.000 0.431 258 F N -2.209 117.639 119.950 -0.170 0.000 2.540 258 F HA 0.515 5.045 4.527 0.004 0.000 0.317 258 F C 1.036 176.773 175.800 -0.106 0.000 1.104 258 F CA -0.409 57.480 58.000 -0.183 0.000 0.913 258 F CB 1.212 40.100 39.000 -0.187 0.000 1.170 258 F HN -0.159 nan 8.300 nan 0.000 0.450 259 A N 0.567 123.456 122.820 0.115 0.000 2.070 259 A HA -0.115 4.207 4.320 0.004 0.000 0.220 259 A C 1.911 179.596 177.584 0.167 0.000 1.159 259 A CA 1.438 53.583 52.037 0.180 0.000 0.656 259 A CB -1.137 17.952 19.000 0.147 0.000 0.800 259 A HN 0.905 nan 8.150 nan 0.000 0.453 260 C N -0.298 119.072 119.300 0.117 0.000 2.419 260 C HA -0.100 4.363 4.460 0.004 0.000 0.281 260 C C 2.443 177.475 174.990 0.070 0.000 1.336 260 C CA 1.104 60.174 59.018 0.085 0.000 1.770 260 C CB -1.273 26.490 27.740 0.038 0.000 1.929 260 C HN 0.672 nan 8.230 nan 0.000 0.509 261 E N -0.342 119.884 120.200 0.043 0.000 2.204 261 E HA -0.222 4.131 4.350 0.004 0.000 0.195 261 E C 1.490 178.061 176.600 -0.047 0.000 0.990 261 E CA 1.095 57.488 56.400 -0.012 0.000 0.821 261 E CB -0.235 29.441 29.700 -0.041 0.000 0.750 261 E HN 0.777 nan 8.360 nan 0.000 0.477 262 H N -0.303 118.784 119.070 0.028 0.000 2.457 262 H HA -0.062 4.497 4.556 0.004 0.000 0.297 262 H C 1.708 177.038 175.328 0.004 0.000 1.092 262 H CA 1.268 57.318 56.048 0.005 0.000 1.309 262 H CB 0.174 29.923 29.762 -0.022 0.000 1.382 262 H HN 0.161 nan 8.280 nan 0.000 0.535 263 A N -0.061 122.835 122.820 0.126 0.000 2.343 263 A HA 0.119 4.442 4.320 0.004 0.000 0.223 263 A C 0.394 178.006 177.584 0.046 0.000 1.214 263 A CA 0.065 52.151 52.037 0.082 0.000 0.900 263 A CB 0.324 19.381 19.000 0.095 0.000 0.942 263 A HN 0.432 nan 8.150 nan 0.000 0.507 264 E N -0.885 119.338 120.200 0.038 0.000 2.320 264 E HA -0.221 4.131 4.350 0.004 0.000 0.234 264 E C -0.360 176.251 176.600 0.018 0.000 1.183 264 E CA 0.722 57.135 56.400 0.022 0.000 0.713 264 E CB -1.823 27.886 29.700 0.015 0.000 1.226 264 E HN 0.861 nan 8.360 nan 0.000 0.382 265 I N -3.534 117.050 120.570 0.023 0.000 3.002 265 I HA 0.846 5.018 4.170 0.004 0.000 0.310 265 I C -0.379 175.738 176.117 0.000 0.000 1.087 265 I CA -1.007 60.302 61.300 0.014 0.000 1.017 265 I CB 2.183 40.197 38.000 0.024 0.000 1.226 265 I HN -0.046 nan 8.210 nan 0.000 0.443 266 A N 3.258 126.070 122.820 -0.014 0.000 2.355 266 A HA 0.948 5.270 4.320 0.004 0.000 0.317 266 A C -2.754 174.804 177.584 -0.043 0.000 1.094 266 A CA -1.561 50.452 52.037 -0.040 0.000 0.764 266 A CB 0.823 19.794 19.000 -0.049 0.000 1.230 266 A HN 0.658 nan 8.150 nan 0.000 0.448 267 P HA 0.283 nan 4.420 nan 0.000 0.278 267 P C -0.353 176.895 177.300 -0.087 0.000 1.266 267 P CA -0.243 62.818 63.100 -0.064 0.000 0.807 267 P CB 1.079 32.733 31.700 -0.076 0.000 1.094 268 D N -0.413 119.929 120.400 -0.097 0.000 2.194 268 D HA 0.079 4.722 4.640 0.004 0.000 0.204 268 D C 0.599 176.804 176.300 -0.159 0.000 0.964 268 D CA 1.348 55.265 54.000 -0.139 0.000 0.846 268 D CB 0.359 41.052 40.800 -0.179 0.000 0.962 268 D HN 0.322 nan 8.370 nan 0.000 0.490 269 I N 1.001 121.485 120.570 -0.142 0.000 2.533 269 I HA 0.244 4.416 4.170 0.004 0.000 0.290 269 I C -1.185 174.853 176.117 -0.131 0.000 1.056 269 I CA -0.911 60.300 61.300 -0.148 0.000 1.057 269 I CB 2.889 40.797 38.000 -0.152 0.000 1.240 269 I HN -0.224 nan 8.210 nan 0.000 0.423 270 L N 6.798 127.937 121.223 -0.140 0.000 2.356 270 L HA 0.627 4.970 4.340 0.004 0.000 0.277 270 L C -1.104 175.695 176.870 -0.118 0.000 0.996 270 L CA -0.047 54.704 54.840 -0.149 0.000 0.822 270 L CB 1.385 43.311 42.059 -0.221 0.000 1.256 270 L HN 0.661 nan 8.230 nan 0.000 0.413 271 C N 5.611 124.855 119.300 -0.095 0.000 2.329 271 C HA 0.742 5.204 4.460 0.004 0.000 0.329 271 C C -0.160 174.810 174.990 -0.033 0.000 1.275 271 C CA -0.884 58.101 59.018 -0.055 0.000 1.726 271 C CB 0.420 28.129 27.740 -0.050 0.000 2.291 271 C HN 0.720 nan 8.230 nan 0.000 0.514 272 L N 2.686 123.921 121.223 0.020 0.000 2.388 272 L HA 0.905 5.247 4.340 0.004 0.000 0.264 272 L C 0.530 177.482 176.870 0.136 0.000 0.998 272 L CA 0.005 54.902 54.840 0.094 0.000 0.817 272 L CB 2.068 44.235 42.059 0.180 0.000 1.338 272 L HN 0.908 nan 8.230 nan 0.000 0.414 273 G N -0.137 108.766 108.800 0.173 0.000 2.726 273 G HA2 0.316 4.278 3.960 0.004 0.000 0.198 273 G HA3 0.316 4.278 3.960 0.004 0.000 0.198 273 G C -0.466 174.525 174.900 0.151 0.000 1.195 273 G CA 0.118 45.298 45.100 0.134 0.000 0.951 273 G HN 0.576 nan 8.290 nan 0.000 0.532 274 K N -0.763 119.705 120.400 0.114 0.000 6.244 274 K HA -0.400 3.922 4.320 0.004 0.000 0.320 274 K C 2.120 178.777 176.600 0.095 0.000 0.632 274 K CA 2.408 58.773 56.287 0.129 0.000 1.101 274 K CB -1.609 30.994 32.500 0.172 0.000 0.782 274 K HN 1.235 nan 8.250 nan 0.000 0.907 275 A N 1.211 124.103 122.820 0.120 0.000 2.209 275 A HA 0.039 4.362 4.320 0.004 0.000 0.212 275 A C 2.030 179.501 177.584 -0.189 0.000 1.158 275 A CA 1.275 53.318 52.037 0.009 0.000 0.742 275 A CB -0.346 18.689 19.000 0.058 0.000 0.790 275 A HN 0.412 nan 8.150 nan 0.000 0.472 276 L N 0.709 121.848 121.223 -0.139 0.000 2.043 276 L HA -0.156 4.186 4.340 0.004 0.000 0.212 276 L C 2.322 179.002 176.870 -0.317 0.000 1.075 276 L CA 2.869 57.467 54.840 -0.403 0.000 0.752 276 L CB -0.804 41.243 42.059 -0.019 0.000 0.891 276 L HN 0.486 nan 8.230 nan 0.000 0.432 277 T N -3.738 110.722 114.554 -0.155 0.000 3.144 277 T HA 0.392 4.745 4.350 0.004 0.000 0.249 277 T C 1.298 175.936 174.700 -0.103 0.000 1.089 277 T CA 0.187 62.219 62.100 -0.112 0.000 0.989 277 T CB -0.361 68.473 68.868 -0.056 0.000 0.992 277 T HN 0.709 nan 8.240 nan 0.000 0.540 278 G N 1.045 109.759 108.800 -0.142 0.000 2.160 278 G HA2 0.085 4.048 3.960 0.004 0.000 0.251 278 G HA3 0.085 4.048 3.960 0.004 0.000 0.251 278 G C 0.932 175.752 174.900 -0.133 0.000 1.008 278 G CA 0.095 45.123 45.100 -0.121 0.000 0.724 278 G HN 1.778 nan 8.290 nan 0.000 0.514 279 G N -1.385 107.360 108.800 -0.093 0.000 2.273 279 G HA2 -0.001 3.961 3.960 0.004 0.000 0.280 279 G HA3 -0.001 3.961 3.960 0.004 0.000 0.280 279 G C 1.110 175.989 174.900 -0.035 0.000 1.047 279 G CA 1.704 46.774 45.100 -0.051 0.000 0.869 279 G HN 2.132 nan 8.290 nan 0.000 0.502 280 T N -3.251 111.288 114.554 -0.026 0.000 3.023 280 T HA 0.547 4.899 4.350 0.004 0.000 0.249 280 T C 0.992 175.694 174.700 0.003 0.000 1.050 280 T CA 1.376 63.472 62.100 -0.007 0.000 1.088 280 T CB 0.112 68.971 68.868 -0.015 0.000 0.946 280 T HN 1.670 nan 8.240 nan 0.000 0.480 281 M N -0.833 118.766 119.600 -0.001 0.000 2.956 281 M HA 0.464 4.946 4.480 0.004 0.000 0.272 281 M C -1.364 174.937 176.300 0.001 0.000 1.132 281 M CA -0.907 54.391 55.300 -0.004 0.000 0.805 281 M CB 1.454 34.040 32.600 -0.024 0.000 1.639 281 M HN -0.182 nan 8.290 nan 0.000 0.520 282 T N 1.403 115.955 114.554 -0.003 0.000 2.907 282 T HA 0.703 5.055 4.350 0.004 0.000 0.298 282 T C -1.143 173.559 174.700 0.005 0.000 1.017 282 T CA -0.106 62.001 62.100 0.013 0.000 1.118 282 T CB 0.439 69.317 68.868 0.017 0.000 0.948 282 T HN 0.626 nan 8.240 nan 0.000 0.531 283 L N 3.497 124.735 121.223 0.025 0.000 2.794 283 L HA 0.689 5.032 4.340 0.004 0.000 0.261 283 L C -1.166 175.737 176.870 0.054 0.000 0.989 283 L CA -0.211 54.646 54.840 0.029 0.000 0.900 283 L CB 1.948 44.012 42.059 0.009 0.000 1.473 283 L HN 0.820 nan 8.230 nan 0.000 0.414 284 S N 1.506 117.247 115.700 0.068 0.000 2.638 284 S HA 1.052 5.525 4.470 0.004 0.000 0.274 284 S C -1.228 173.431 174.600 0.098 0.000 1.157 284 S CA -0.178 58.075 58.200 0.089 0.000 0.826 284 S CB 1.746 64.997 63.200 0.086 0.000 1.139 284 S HN 1.737 nan 8.310 nan 0.000 0.474 285 A N 0.547 123.432 122.820 0.107 0.000 2.547 285 A HA 0.782 5.105 4.320 0.004 0.000 0.297 285 A C -0.824 176.808 177.584 0.081 0.000 1.056 285 A CA -0.707 51.395 52.037 0.108 0.000 0.688 285 A CB 1.628 20.690 19.000 0.104 0.000 1.282 285 A HN 0.847 nan 8.150 nan 0.000 0.400 286 T N 2.538 117.149 114.554 0.095 0.000 2.815 286 T HA 0.568 4.921 4.350 0.004 0.000 0.289 286 T C -0.731 173.973 174.700 0.007 0.000 1.000 286 T CA -0.119 61.993 62.100 0.021 0.000 0.958 286 T CB 0.429 69.285 68.868 -0.021 0.000 0.944 286 T HN 0.410 nan 8.240 nan 0.000 0.442 287 L N 2.553 123.745 121.223 -0.052 0.000 2.331 287 L HA 0.823 5.166 4.340 0.004 0.000 0.275 287 L C 0.634 177.438 176.870 -0.110 0.000 1.022 287 L CA -0.132 54.668 54.840 -0.067 0.000 0.812 287 L CB 2.065 44.070 42.059 -0.090 0.000 1.257 287 L HN 0.622 nan 8.230 nan 0.000 0.435 288 T N -0.728 113.762 114.554 -0.108 0.000 2.696 288 T HA 0.603 4.955 4.350 0.004 0.000 0.291 288 T C -0.546 174.083 174.700 -0.118 0.000 1.095 288 T CA -0.114 61.901 62.100 -0.143 0.000 1.026 288 T CB 1.345 70.096 68.868 -0.196 0.000 1.390 288 T HN 0.751 nan 8.240 nan 0.000 0.513 289 T N -0.454 114.019 114.554 -0.135 0.000 2.847 289 T HA 0.411 4.764 4.350 0.004 0.000 0.279 289 T C 1.223 175.873 174.700 -0.083 0.000 0.984 289 T CA -0.540 61.498 62.100 -0.103 0.000 0.988 289 T CB 0.985 69.785 68.868 -0.113 0.000 1.040 289 T HN 0.661 nan 8.240 nan 0.000 0.528 290 R N 0.223 120.690 120.500 -0.055 0.000 2.096 290 R HA -0.117 4.226 4.340 0.004 0.000 0.235 290 R C 2.324 178.606 176.300 -0.029 0.000 1.127 290 R CA 1.773 57.851 56.100 -0.036 0.000 0.968 290 R CB -0.467 29.819 30.300 -0.023 0.000 0.861 290 R HN 0.879 nan 8.270 nan 0.000 0.440 291 E N 0.029 120.210 120.200 -0.032 0.000 2.070 291 E HA -0.172 4.181 4.350 0.004 0.000 0.197 291 E C 1.715 178.336 176.600 0.035 0.000 1.004 291 E CA 2.130 58.530 56.400 0.000 0.000 0.805 291 E CB -0.420 29.276 29.700 -0.005 0.000 0.744 291 E HN 0.182 nan 8.360 nan 0.000 0.451 292 V N 0.901 120.772 119.914 -0.071 0.000 2.307 292 V HA -0.230 3.893 4.120 0.004 0.000 0.245 292 V C 2.474 178.554 176.094 -0.024 0.000 1.045 292 V CA 1.963 64.205 62.300 -0.097 0.000 1.024 292 V CB -1.062 30.561 31.823 -0.333 0.000 0.651 292 V HN 0.514 nan 8.190 nan 0.000 0.449 293 A N -0.528 122.253 122.820 -0.065 0.000 1.933 293 A HA -0.237 4.086 4.320 0.004 0.000 0.218 293 A C 2.161 179.746 177.584 0.002 0.000 1.175 293 A CA 1.925 53.934 52.037 -0.046 0.000 0.628 293 A CB -0.415 18.560 19.000 -0.042 0.000 0.814 293 A HN 0.654 nan 8.150 nan 0.000 0.444 294 E N -1.013 119.191 120.200 0.005 0.000 2.112 294 E HA -0.084 4.268 4.350 0.004 0.000 0.190 294 E C 2.044 178.649 176.600 0.009 0.000 0.979 294 E CA 1.291 57.697 56.400 0.010 0.000 0.814 294 E CB -0.289 29.413 29.700 0.003 0.000 0.762 294 E HN 0.570 nan 8.360 nan 0.000 0.460 295 T N 1.853 116.415 114.554 0.013 0.000 2.684 295 T HA -0.160 4.193 4.350 0.004 0.000 0.267 295 T C 2.000 176.683 174.700 -0.028 0.000 1.036 295 T CA 1.019 63.098 62.100 -0.036 0.000 1.148 295 T CB -0.222 68.586 68.868 -0.100 0.000 0.863 295 T HN 0.114 nan 8.240 nan 0.000 0.436 296 I N 0.950 121.537 120.570 0.028 0.000 2.208 296 I HA -0.170 4.002 4.170 0.004 0.000 0.245 296 I C 2.629 178.784 176.117 0.064 0.000 1.097 296 I CA 1.028 62.363 61.300 0.058 0.000 1.363 296 I CB -0.362 37.700 38.000 0.103 0.000 1.051 296 I HN 0.165 nan 8.210 nan 0.000 0.413 297 S N 0.618 116.354 115.700 0.060 0.000 2.474 297 S HA -0.075 4.398 4.470 0.004 0.000 0.235 297 S C 1.530 176.147 174.600 0.029 0.000 0.997 297 S CA 0.864 59.098 58.200 0.057 0.000 0.949 297 S CB -0.246 62.987 63.200 0.055 0.000 0.766 297 S HN 0.430 nan 8.310 nan 0.000 0.517 298 N N 1.040 119.746 118.700 0.010 0.000 2.422 298 N HA 0.124 4.866 4.740 0.004 0.000 0.181 298 N C 0.890 176.395 175.510 -0.009 0.000 1.080 298 N CA 0.143 53.191 53.050 -0.004 0.000 0.893 298 N CB -0.169 38.307 38.487 -0.017 0.000 0.973 298 N HN 0.343 nan 8.380 nan 0.000 0.456 299 G N 0.337 109.134 108.800 -0.006 0.000 2.653 299 G HA2 0.036 3.998 3.960 0.004 0.000 0.265 299 G HA3 0.036 3.998 3.960 0.004 0.000 0.265 299 G C 0.793 175.696 174.900 0.005 0.000 1.237 299 G CA -0.343 44.753 45.100 -0.007 0.000 0.946 299 G HN 0.078 nan 8.290 nan 0.000 0.522 300 E N -0.328 119.875 120.200 0.005 0.000 2.114 300 E HA -0.273 4.080 4.350 0.004 0.000 0.199 300 E C 2.725 179.331 176.600 0.009 0.000 1.008 300 E CA 1.437 57.840 56.400 0.006 0.000 0.810 300 E CB -0.140 29.564 29.700 0.006 0.000 0.739 300 E HN 0.461 nan 8.360 nan 0.000 0.456 301 A N -0.061 122.769 122.820 0.016 0.000 2.014 301 A HA 0.076 4.398 4.320 0.004 0.000 0.218 301 A C 2.055 179.651 177.584 0.020 0.000 1.163 301 A CA 1.362 53.408 52.037 0.016 0.000 0.652 301 A CB -0.447 18.566 19.000 0.021 0.000 0.808 301 A HN 0.406 nan 8.150 nan 0.000 0.449 302 G N -2.275 106.541 108.800 0.027 0.000 2.179 302 G HA2 -0.259 3.704 3.960 0.004 0.000 0.260 302 G HA3 -0.259 3.704 3.960 0.004 0.000 0.260 302 G C 0.491 175.419 174.900 0.047 0.000 0.977 302 G CA 0.642 45.759 45.100 0.028 0.000 0.641 302 G HN 2.154 nan 8.290 nan 0.000 0.533 303 C N -3.074 116.267 119.300 0.069 0.000 3.231 303 C HA 0.680 5.143 4.460 0.004 0.000 0.343 303 C C -0.309 174.786 174.990 0.174 0.000 1.349 303 C CA -1.463 57.622 59.018 0.112 0.000 1.209 303 C CB 0.678 28.470 27.740 0.087 0.000 1.475 303 C HN 1.327 nan 8.230 nan 0.000 0.460 304 F N 3.003 122.995 119.950 0.070 0.000 2.445 304 F HA 0.590 5.120 4.527 0.005 0.000 0.359 304 F C 0.653 176.507 175.800 0.091 0.000 1.101 304 F CA -1.102 56.938 58.000 0.065 0.000 1.177 304 F CB 0.821 39.861 39.000 0.067 0.000 1.110 304 F HN 0.595 nan 8.300 nan 0.000 0.522 305 M N 7.529 126.843 119.600 -0.477 0.000 3.436 305 M HA 0.117 4.600 4.480 0.004 0.000 0.240 305 M C -1.028 174.928 176.300 -0.573 0.000 1.469 305 M CA 0.554 55.618 55.300 -0.392 0.000 1.622 305 M CB -1.588 30.884 32.600 -0.212 0.000 1.098 305 M HN 0.729 nan 8.290 nan 0.000 0.568 306 H N -0.876 117.840 119.070 -0.591 0.000 3.064 306 H HA 0.608 5.167 4.556 0.005 0.000 0.352 306 H C -0.540 174.873 175.328 0.142 0.000 1.260 306 H CA -0.257 55.576 56.048 -0.358 0.000 1.160 306 H CB 1.928 31.249 29.762 -0.734 0.000 1.879 306 H HN 0.555 nan 8.280 nan 0.000 0.544 307 G N 3.821 112.791 108.800 0.283 0.000 3.391 307 G HA2 0.173 4.135 3.960 0.004 0.000 0.257 307 G HA3 0.173 4.135 3.960 0.004 0.000 0.257 307 G C -3.115 171.900 174.900 0.191 0.000 3.853 307 G CA -0.875 44.421 45.100 0.327 0.000 0.453 307 G HN 0.405 nan 8.290 nan 0.000 0.287 308 P HA 0.308 nan 4.420 nan 0.000 0.271 308 P C 1.390 178.764 177.300 0.122 0.000 1.218 308 P CA -0.158 63.058 63.100 0.194 0.000 0.780 308 P CB 1.041 32.907 31.700 0.276 0.000 0.901 309 T N 0.914 115.499 114.554 0.052 0.000 2.653 309 T HA -0.174 4.179 4.350 0.004 0.000 0.268 309 T C 0.894 175.486 174.700 -0.180 0.000 1.035 309 T CA 1.692 63.732 62.100 -0.101 0.000 1.154 309 T CB -0.703 68.028 68.868 -0.228 0.000 0.862 309 T HN 0.361 nan 8.240 nan 0.000 0.441 310 F N 0.754 120.724 119.950 0.033 0.000 2.663 310 F HA 0.417 4.945 4.527 0.003 0.000 0.299 310 F C 0.802 176.642 175.800 0.067 0.000 1.143 310 F CA -0.605 57.383 58.000 -0.020 0.000 1.387 310 F CB -0.704 38.184 39.000 -0.188 0.000 1.019 310 F HN 0.118 nan 8.300 nan 0.000 0.523 311 M N 0.371 120.071 119.600 0.167 0.000 2.255 311 M HA 0.162 4.644 4.480 0.004 0.000 0.356 311 M C 1.360 177.535 176.300 -0.208 0.000 1.338 311 M CA 1.470 56.781 55.300 0.017 0.000 0.962 311 M CB 0.093 32.711 32.600 0.030 0.000 1.877 311 M HN 0.517 nan 8.290 nan 0.000 0.463 312 G N 3.276 111.836 108.800 -0.400 0.000 2.148 312 G HA2 -0.337 3.626 3.960 0.004 0.000 0.254 312 G HA3 -0.337 3.626 3.960 0.004 0.000 0.254 312 G C 0.006 174.815 174.900 -0.153 0.000 0.981 312 G CA 0.484 45.154 45.100 -0.716 0.000 0.670 312 G HN 0.980 nan 8.290 nan 0.000 0.528 313 N N 1.109 119.847 118.700 0.063 0.000 2.142 313 N HA 0.138 4.881 4.740 0.004 0.000 0.282 313 N C -0.295 175.259 175.510 0.073 0.000 1.342 313 N CA -0.058 53.131 53.050 0.231 0.000 0.831 313 N CB 0.640 39.231 38.487 0.173 0.000 1.083 313 N HN 0.165 nan 8.380 nan 0.000 0.492 314 P HA -0.187 nan 4.420 nan 0.000 0.216 314 P C 1.454 178.720 177.300 -0.055 0.000 1.153 314 P CA 0.673 63.649 63.100 -0.207 0.000 0.858 314 P CB 0.112 31.561 31.700 -0.418 0.000 0.789 315 L N -0.251 120.965 121.223 -0.013 0.000 2.017 315 L HA -0.113 4.229 4.340 0.004 0.000 0.208 315 L C 2.209 179.072 176.870 -0.012 0.000 1.073 315 L CA 2.264 57.098 54.840 -0.011 0.000 0.745 315 L CB -1.615 40.442 42.059 -0.003 0.000 0.894 315 L HN -0.113 nan 8.230 nan 0.000 0.432 316 A N -1.558 121.257 122.820 -0.008 0.000 1.930 316 A HA -0.196 4.127 4.320 0.004 0.000 0.217 316 A C 2.363 179.939 177.584 -0.014 0.000 1.175 316 A CA 1.609 53.636 52.037 -0.016 0.000 0.627 316 A CB -1.419 17.571 19.000 -0.018 0.000 0.815 316 A HN 0.640 nan 8.150 nan 0.000 0.443 317 C N -0.943 118.357 119.300 0.001 0.000 2.422 317 C HA 0.081 4.544 4.460 0.004 0.000 0.279 317 C C 3.248 178.241 174.990 0.004 0.000 1.305 317 C CA 0.691 59.715 59.018 0.010 0.000 1.757 317 C CB -1.303 26.469 27.740 0.053 0.000 1.962 317 C HN 0.700 nan 8.230 nan 0.000 0.499 318 A N 0.444 123.265 122.820 0.001 0.000 1.930 318 A HA 0.158 4.481 4.320 0.004 0.000 0.217 318 A C 2.339 179.909 177.584 -0.023 0.000 1.175 318 A CA 1.806 53.839 52.037 -0.005 0.000 0.627 318 A CB -0.695 18.300 19.000 -0.008 0.000 0.815 318 A HN 0.542 nan 8.150 nan 0.000 0.443 319 A N -0.023 122.779 122.820 -0.029 0.000 1.898 319 A HA 0.216 4.539 4.320 0.004 0.000 0.216 319 A C 2.498 180.043 177.584 -0.066 0.000 1.181 319 A CA 1.877 53.888 52.037 -0.043 0.000 0.620 319 A CB -1.003 17.975 19.000 -0.037 0.000 0.819 319 A HN 0.994 nan 8.150 nan 0.000 0.442 320 A N 0.329 123.109 122.820 -0.067 0.000 1.902 320 A HA -0.211 4.112 4.320 0.004 0.000 0.217 320 A C 1.947 179.472 177.584 -0.098 0.000 1.181 320 A CA 1.839 53.814 52.037 -0.102 0.000 0.623 320 A CB -0.651 18.298 19.000 -0.085 0.000 0.818 320 A HN 0.535 nan 8.150 nan 0.000 0.443 321 N N 0.410 119.077 118.700 -0.055 0.000 2.120 321 N HA -0.113 4.629 4.740 0.004 0.000 0.188 321 N C 1.898 177.374 175.510 -0.056 0.000 1.024 321 N CA 1.583 54.610 53.050 -0.038 0.000 0.852 321 N CB -0.572 37.909 38.487 -0.010 0.000 1.003 321 N HN 0.472 nan 8.380 nan 0.000 0.424 322 A N 0.170 122.948 122.820 -0.070 0.000 1.902 322 A HA -0.120 4.203 4.320 0.004 0.000 0.217 322 A C 2.472 179.953 177.584 -0.172 0.000 1.181 322 A CA 1.932 53.909 52.037 -0.099 0.000 0.623 322 A CB -0.848 18.098 19.000 -0.089 0.000 0.818 322 A HN 0.333 nan 8.150 nan 0.000 0.443 323 S N -0.415 115.182 115.700 -0.171 0.000 2.368 323 S HA -0.085 4.387 4.470 0.004 0.000 0.225 323 S C 1.933 176.460 174.600 -0.122 0.000 1.030 323 S CA 1.412 59.506 58.200 -0.177 0.000 0.999 323 S CB -0.483 62.671 63.200 -0.075 0.000 0.844 323 S HN 0.492 nan 8.310 nan 0.000 0.459 324 L N 1.025 122.175 121.223 -0.121 0.000 2.093 324 L HA -0.021 4.322 4.340 0.004 0.000 0.208 324 L C 2.970 179.828 176.870 -0.019 0.000 1.085 324 L CA 1.103 55.902 54.840 -0.069 0.000 0.755 324 L CB -0.754 41.280 42.059 -0.043 0.000 0.904 324 L HN 0.411 nan 8.230 nan 0.000 0.435 325 A N 0.527 123.321 122.820 -0.044 0.000 1.933 325 A HA -0.167 4.155 4.320 0.004 0.000 0.218 325 A C 2.208 179.778 177.584 -0.024 0.000 1.175 325 A CA 1.424 53.448 52.037 -0.021 0.000 0.628 325 A CB -0.598 18.383 19.000 -0.032 0.000 0.814 325 A HN 0.345 nan 8.150 nan 0.000 0.444 326 I N -0.252 120.254 120.570 -0.106 0.000 2.226 326 I HA -0.265 3.908 4.170 0.004 0.000 0.245 326 I C 2.247 178.406 176.117 0.071 0.000 1.100 326 I CA 1.130 62.365 61.300 -0.108 0.000 1.374 326 I CB -0.320 37.417 38.000 -0.438 0.000 1.057 326 I HN 0.282 nan 8.210 nan 0.000 0.413 327 L N 0.147 121.442 121.223 0.121 0.000 2.141 327 L HA -0.179 4.164 4.340 0.004 0.000 0.209 327 L C 2.367 179.424 176.870 0.311 0.000 1.094 327 L CA 1.181 56.186 54.840 0.276 0.000 0.763 327 L CB -0.655 41.464 42.059 0.100 0.000 0.908 327 L HN 0.268 nan 8.230 nan 0.000 0.437 328 E N 0.135 120.441 120.200 0.177 0.000 2.209 328 E HA -0.228 4.124 4.350 0.004 0.000 0.196 328 E C 2.297 178.983 176.600 0.144 0.000 0.993 328 E CA 1.455 57.949 56.400 0.157 0.000 0.819 328 E CB -0.067 29.690 29.700 0.096 0.000 0.745 328 E HN 0.570 nan 8.360 nan 0.000 0.477 329 S N -0.501 115.278 115.700 0.131 0.000 2.400 329 S HA -0.118 4.355 4.470 0.004 0.000 0.232 329 S C 1.847 176.487 174.600 0.067 0.000 1.025 329 S CA 1.115 59.369 58.200 0.090 0.000 0.993 329 S CB -0.289 62.962 63.200 0.084 0.000 0.808 329 S HN 0.430 nan 8.310 nan 0.000 0.478 330 G N 0.941 109.809 108.800 0.114 0.000 2.176 330 G HA2 -0.264 3.699 3.960 0.004 0.000 0.253 330 G HA3 -0.264 3.699 3.960 0.004 0.000 0.253 330 G C 0.390 175.121 174.900 -0.283 0.000 0.979 330 G CA 0.476 45.510 45.100 -0.110 0.000 0.641 330 G HN 0.522 nan 8.290 nan 0.000 0.530 331 D N 0.137 120.507 120.400 -0.050 0.000 2.182 331 D HA -0.097 4.545 4.640 0.004 0.000 0.201 331 D C 2.310 178.586 176.300 -0.039 0.000 0.986 331 D CA 1.407 55.387 54.000 -0.033 0.000 0.847 331 D CB -0.464 40.379 40.800 0.072 0.000 0.942 331 D HN 0.858 nan 8.370 nan 0.000 0.467 332 W N 1.547 122.884 121.300 0.061 0.000 2.350 332 W HA -0.198 4.465 4.660 0.005 0.000 0.289 332 W C 1.408 177.859 176.519 -0.113 0.000 1.215 332 W CA 0.569 57.919 57.345 0.009 0.000 1.236 332 W CB -0.958 28.558 29.460 0.094 0.000 1.130 332 W HN 0.080 nan 8.180 nan 0.000 0.541 333 Q N 0.861 119.968 119.800 -1.155 0.000 2.061 333 Q HA -0.294 4.048 4.340 0.004 0.000 0.204 333 Q C 2.356 178.103 176.000 -0.422 0.000 0.984 333 Q CA 2.390 57.549 55.803 -1.073 0.000 0.846 333 Q CB -0.481 27.604 28.738 -1.089 0.000 0.902 333 Q HN 0.264 nan 8.270 nan 0.000 0.421 334 Q N 0.856 120.472 119.800 -0.306 0.000 2.119 334 Q HA -0.158 4.185 4.340 0.004 0.000 0.201 334 Q C 1.854 177.800 176.000 -0.090 0.000 0.972 334 Q CA 1.573 57.280 55.803 -0.159 0.000 0.847 334 Q CB 0.087 28.755 28.738 -0.118 0.000 0.903 334 Q HN 0.345 nan 8.270 nan 0.000 0.433 335 Q N -0.979 118.784 119.800 -0.061 0.000 2.020 335 Q HA -0.128 4.215 4.340 0.004 0.000 0.202 335 Q C 2.107 178.087 176.000 -0.033 0.000 0.982 335 Q CA 1.828 57.631 55.803 -0.000 0.000 0.838 335 Q CB -0.080 28.709 28.738 0.085 0.000 0.899 335 Q HN 0.261 nan 8.270 nan 0.000 0.423 336 V N 0.933 120.787 119.914 -0.099 0.000 2.343 336 V HA -0.283 3.840 4.120 0.004 0.000 0.247 336 V C 2.251 178.319 176.094 -0.044 0.000 1.051 336 V CA 1.765 63.998 62.300 -0.111 0.000 1.036 336 V CB -1.009 30.736 31.823 -0.130 0.000 0.654 336 V HN 0.416 nan 8.190 nan 0.000 0.451 337 A N 0.007 122.791 122.820 -0.059 0.000 1.883 337 A HA -0.272 4.050 4.320 0.004 0.000 0.217 337 A C 2.002 179.574 177.584 -0.021 0.000 1.186 337 A CA 2.162 54.175 52.037 -0.040 0.000 0.624 337 A CB -0.669 18.290 19.000 -0.067 0.000 0.822 337 A HN 0.538 nan 8.150 nan 0.000 0.444 338 D N -0.078 120.309 120.400 -0.021 0.000 2.117 338 D HA -0.108 4.535 4.640 0.004 0.000 0.197 338 D C 1.837 178.142 176.300 0.008 0.000 0.987 338 D CA 1.132 55.129 54.000 -0.005 0.000 0.829 338 D CB -0.363 40.436 40.800 -0.002 0.000 0.961 338 D HN 0.527 nan 8.370 nan 0.000 0.460 339 I N 0.908 121.486 120.570 0.014 0.000 2.226 339 I HA -0.238 3.935 4.170 0.004 0.000 0.245 339 I C 2.462 178.594 176.117 0.026 0.000 1.100 339 I CA 1.038 62.355 61.300 0.028 0.000 1.374 339 I CB -0.158 37.869 38.000 0.045 0.000 1.057 339 I HN 0.024 nan 8.210 nan 0.000 0.413 340 E N 0.895 121.108 120.200 0.021 0.000 2.038 340 E HA -0.218 4.135 4.350 0.004 0.000 0.195 340 E C 2.298 178.910 176.600 0.020 0.000 1.000 340 E CA 1.844 58.259 56.400 0.025 0.000 0.803 340 E CB 0.079 29.794 29.700 0.025 0.000 0.750 340 E HN 0.254 nan 8.360 nan 0.000 0.448 341 V N 1.115 121.037 119.914 0.014 0.000 2.343 341 V HA -0.281 3.842 4.120 0.004 0.000 0.247 341 V C 2.602 178.705 176.094 0.015 0.000 1.051 341 V CA 2.265 64.572 62.300 0.012 0.000 1.036 341 V CB -0.659 31.168 31.823 0.007 0.000 0.654 341 V HN 0.408 nan 8.190 nan 0.000 0.451 342 Q N -0.450 119.359 119.800 0.016 0.000 2.119 342 Q HA -0.174 4.169 4.340 0.004 0.000 0.201 342 Q C 2.239 178.251 176.000 0.020 0.000 0.972 342 Q CA 1.642 57.455 55.803 0.017 0.000 0.847 342 Q CB -0.113 28.636 28.738 0.018 0.000 0.903 342 Q HN 0.612 nan 8.270 nan 0.000 0.433 343 L N -0.022 121.214 121.223 0.023 0.000 2.056 343 L HA -0.170 4.173 4.340 0.004 0.000 0.207 343 L C 2.663 179.548 176.870 0.025 0.000 1.078 343 L CA 1.191 56.046 54.840 0.025 0.000 0.749 343 L CB -0.329 41.747 42.059 0.030 0.000 0.901 343 L HN 0.185 nan 8.230 nan 0.000 0.433 344 R N -0.102 120.412 120.500 0.023 0.000 2.080 344 R HA -0.228 4.115 4.340 0.004 0.000 0.236 344 R C 2.232 178.544 176.300 0.020 0.000 1.137 344 R CA 1.834 57.947 56.100 0.022 0.000 0.943 344 R CB -0.413 29.899 30.300 0.019 0.000 0.846 344 R HN 0.404 nan 8.270 nan 0.000 0.431 345 E N 0.996 121.207 120.200 0.018 0.000 2.072 345 E HA -0.215 4.137 4.350 0.004 0.000 0.191 345 E C 1.840 178.452 176.600 0.020 0.000 0.985 345 E CA 1.228 57.638 56.400 0.017 0.000 0.801 345 E CB 0.183 29.892 29.700 0.015 0.000 0.750 345 E HN 0.398 nan 8.360 nan 0.000 0.452 346 Q N -0.397 119.416 119.800 0.022 0.000 2.398 346 Q HA 0.058 4.401 4.340 0.004 0.000 0.204 346 Q C 1.992 178.010 176.000 0.029 0.000 0.932 346 Q CA 0.358 56.176 55.803 0.025 0.000 0.916 346 Q CB 0.412 29.164 28.738 0.023 0.000 1.024 346 Q HN 0.347 nan 8.270 nan 0.000 0.504 347 L N -0.339 120.902 121.223 0.029 0.000 2.529 347 L HA 0.170 4.513 4.340 0.004 0.000 0.223 347 L C 2.231 179.120 176.870 0.031 0.000 1.113 347 L CA 0.076 54.937 54.840 0.035 0.000 0.861 347 L CB -0.238 41.843 42.059 0.037 0.000 1.012 347 L HN 0.131 nan 8.230 nan 0.000 0.461 348 A N 1.499 124.334 122.820 0.025 0.000 1.917 348 A HA -0.150 4.173 4.320 0.004 0.000 0.219 348 A C -0.103 177.492 177.584 0.019 0.000 1.182 348 A CA 1.747 53.797 52.037 0.021 0.000 0.633 348 A CB -1.690 17.320 19.000 0.018 0.000 0.819 348 A HN 0.263 nan 8.150 nan 0.000 0.448 349 P HA -0.126 nan 4.420 nan 0.000 0.216 349 P C 1.601 178.912 177.300 0.020 0.000 1.150 349 P CA 1.778 64.890 63.100 0.020 0.000 0.837 349 P CB -0.171 31.544 31.700 0.025 0.000 0.786 350 A N 0.043 122.880 122.820 0.028 0.000 2.076 350 A HA -0.231 4.092 4.320 0.004 0.000 0.220 350 A C 2.152 179.743 177.584 0.012 0.000 1.160 350 A CA 1.309 53.363 52.037 0.028 0.000 0.653 350 A CB -1.063 17.964 19.000 0.046 0.000 0.801 350 A HN 0.133 nan 8.150 nan 0.000 0.455 351 R N -0.210 120.295 120.500 0.009 0.000 2.200 351 R HA -0.112 4.231 4.340 0.004 0.000 0.234 351 R C 0.570 176.862 176.300 -0.013 0.000 1.127 351 R CA 1.316 57.415 56.100 -0.002 0.000 0.989 351 R CB -0.224 30.077 30.300 0.002 0.000 0.869 351 R HN 0.497 nan 8.270 nan 0.000 0.459 352 D N 0.211 120.605 120.400 -0.010 0.000 2.350 352 D HA 0.079 4.721 4.640 0.004 0.000 0.213 352 D C 0.285 176.569 176.300 -0.027 0.000 1.031 352 D CA 0.208 54.197 54.000 -0.017 0.000 0.861 352 D CB 0.247 41.041 40.800 -0.010 0.000 0.926 352 D HN 0.149 nan 8.370 nan 0.000 0.520 353 A N 0.967 123.770 122.820 -0.028 0.000 2.407 353 A HA 0.044 4.366 4.320 0.004 0.000 0.248 353 A C 1.358 178.893 177.584 -0.081 0.000 1.082 353 A CA -0.207 51.805 52.037 -0.042 0.000 0.785 353 A CB 0.789 19.775 19.000 -0.024 0.000 1.020 353 A HN 0.014 nan 8.150 nan 0.000 0.489 354 E N 1.461 121.599 120.200 -0.102 0.000 2.150 354 E HA -0.140 4.213 4.350 0.004 0.000 0.193 354 E C 1.019 177.485 176.600 -0.224 0.000 0.985 354 E CA 1.028 57.344 56.400 -0.139 0.000 0.814 354 E CB -0.078 29.545 29.700 -0.129 0.000 0.752 354 E HN 0.704 nan 8.360 nan 0.000 0.466 355 M N 0.622 120.049 119.600 -0.290 0.000 2.686 355 M HA 0.049 4.532 4.480 0.004 0.000 0.246 355 M C 0.138 176.224 176.300 -0.356 0.000 1.096 355 M CA 0.405 55.411 55.300 -0.490 0.000 1.076 355 M CB -0.043 32.096 32.600 -0.767 0.000 1.504 355 M HN -0.168 nan 8.290 nan 0.000 0.524 356 V N 0.323 120.120 119.914 -0.195 0.000 2.427 356 V HA 0.454 4.577 4.120 0.004 0.000 0.286 356 V C 1.092 177.129 176.094 -0.095 0.000 1.034 356 V CA -0.246 61.987 62.300 -0.110 0.000 0.893 356 V CB 1.305 33.101 31.823 -0.046 0.000 0.982 356 V HN 0.328 nan 8.190 nan 0.000 0.452 357 A N 3.537 126.313 122.820 -0.072 0.000 1.973 357 A HA 0.301 4.623 4.320 0.004 0.000 0.210 357 A C 0.562 178.130 177.584 -0.027 0.000 1.200 357 A CA 0.803 52.807 52.037 -0.054 0.000 0.707 357 A CB 0.096 19.066 19.000 -0.050 0.000 0.862 357 A HN 0.794 nan 8.150 nan 0.000 0.461 358 D N -2.634 117.759 120.400 -0.012 0.000 2.663 358 D HA 0.462 5.105 4.640 0.004 0.000 0.233 358 D C -1.792 174.517 176.300 0.015 0.000 1.240 358 D CA -0.178 53.823 54.000 0.001 0.000 0.774 358 D CB 1.979 42.781 40.800 0.004 0.000 1.443 358 D HN -0.033 nan 8.370 nan 0.000 0.441 359 V N 3.143 123.068 119.914 0.019 0.000 2.483 359 V HA 0.667 4.789 4.120 0.004 0.000 0.297 359 V C -0.533 175.578 176.094 0.028 0.000 1.027 359 V CA -0.686 61.631 62.300 0.028 0.000 0.855 359 V CB 1.536 33.375 31.823 0.027 0.000 0.995 359 V HN 0.606 nan 8.190 nan 0.000 0.424 360 R N 3.493 124.013 120.500 0.034 0.000 2.673 360 R HA 0.937 5.280 4.340 0.004 0.000 0.281 360 R C -2.031 174.291 176.300 0.037 0.000 0.991 360 R CA -0.818 55.301 56.100 0.032 0.000 0.896 360 R CB 2.371 32.690 30.300 0.031 0.000 1.201 360 R HN 0.328 nan 8.270 nan 0.000 0.457 361 V N 3.075 123.007 119.914 0.031 0.000 2.760 361 V HA 0.548 4.671 4.120 0.004 0.000 0.309 361 V C -1.409 174.702 176.094 0.028 0.000 1.077 361 V CA -0.859 61.462 62.300 0.035 0.000 0.910 361 V CB 2.053 33.896 31.823 0.032 0.000 1.008 361 V HN 0.699 nan 8.190 nan 0.000 0.424 362 L N 4.468 125.714 121.223 0.040 0.000 2.580 362 L HA 0.853 5.196 4.340 0.004 0.000 0.266 362 L C 0.289 177.201 176.870 0.070 0.000 0.955 362 L CA 1.295 56.155 54.840 0.032 0.000 0.886 362 L CB 1.321 43.378 42.059 -0.004 0.000 1.263 362 L HN 1.101 nan 8.230 nan 0.000 0.406 363 G N 3.937 112.780 108.800 0.072 0.000 2.596 363 G HA2 -0.152 3.811 3.960 0.004 0.000 0.295 363 G HA3 -0.152 3.811 3.960 0.004 0.000 0.295 363 G C 0.512 175.457 174.900 0.074 0.000 1.240 363 G CA 0.378 45.529 45.100 0.085 0.000 0.985 363 G HN 1.882 nan 8.290 nan 0.000 0.555 364 A N -0.013 122.863 122.820 0.095 0.000 2.929 364 A HA 0.654 4.977 4.320 0.004 0.000 0.279 364 A C 0.422 178.079 177.584 0.123 0.000 1.418 364 A CA 0.243 52.347 52.037 0.111 0.000 1.035 364 A CB -0.617 18.481 19.000 0.163 0.000 1.047 364 A HN 0.766 nan 8.150 nan 0.000 0.609 365 I N 0.050 120.682 120.570 0.104 0.000 2.447 365 I HA 0.517 4.690 4.170 0.004 0.000 0.287 365 I C 0.300 176.458 176.117 0.070 0.000 1.023 365 I CA -0.555 60.796 61.300 0.085 0.000 1.083 365 I CB 2.283 40.358 38.000 0.126 0.000 1.245 365 I HN 0.231 nan 8.210 nan 0.000 0.434 366 G N 5.694 114.532 108.800 0.064 0.000 2.626 366 G HA2 0.650 4.613 3.960 0.004 0.000 0.304 366 G HA3 0.650 4.613 3.960 0.004 0.000 0.304 366 G C -1.164 173.788 174.900 0.087 0.000 1.385 366 G CA -0.406 44.730 45.100 0.060 0.000 0.957 366 G HN 0.309 nan 8.290 nan 0.000 0.504 367 V N 2.408 122.372 119.914 0.084 0.000 2.540 367 V HA 0.512 4.634 4.120 0.004 0.000 0.302 367 V C -0.324 175.821 176.094 0.085 0.000 1.035 367 V CA -0.785 61.578 62.300 0.106 0.000 0.873 367 V CB 1.901 33.769 31.823 0.075 0.000 0.992 367 V HN 0.530 nan 8.190 nan 0.000 0.428 368 V N 4.010 123.987 119.914 0.105 0.000 2.326 368 V HA 0.376 4.499 4.120 0.004 0.000 0.281 368 V C 0.029 176.181 176.094 0.096 0.000 1.015 368 V CA -0.518 61.836 62.300 0.090 0.000 0.823 368 V CB 1.392 33.275 31.823 0.100 0.000 1.009 368 V HN 0.971 nan 8.190 nan 0.000 0.436 369 E N 3.592 123.828 120.200 0.060 0.000 2.227 369 E HA 0.489 4.842 4.350 0.004 0.000 0.282 369 E C 0.145 176.762 176.600 0.028 0.000 1.015 369 E CA -0.385 56.041 56.400 0.043 0.000 0.823 369 E CB 1.210 30.918 29.700 0.013 0.000 1.081 369 E HN 0.811 nan 8.360 nan 0.000 0.396 370 T N 0.451 115.031 114.554 0.044 0.000 2.936 370 T HA 0.199 4.552 4.350 0.004 0.000 0.282 370 T C 1.266 175.928 174.700 -0.063 0.000 1.003 370 T CA -0.075 62.015 62.100 -0.017 0.000 1.005 370 T CB 1.437 70.354 68.868 0.081 0.000 1.097 370 T HN 0.525 nan 8.240 nan 0.000 0.532 371 T N -2.100 112.338 114.554 -0.194 0.000 2.985 371 T HA 0.076 4.429 4.350 0.004 0.000 0.266 371 T C 0.397 175.107 174.700 0.016 0.000 1.076 371 T CA 0.629 62.626 62.100 -0.173 0.000 1.135 371 T CB -0.405 68.239 68.868 -0.373 0.000 0.890 371 T HN 0.733 nan 8.240 nan 0.000 0.480 372 H N 0.948 119.972 119.070 -0.075 0.000 2.797 372 H HA 0.578 5.137 4.556 0.004 0.000 0.372 372 H C -2.935 172.499 175.328 0.176 0.000 1.168 372 H CA -3.158 52.904 56.048 0.024 0.000 1.163 372 H CB 1.066 30.838 29.762 0.017 0.000 1.778 372 H HN 0.016 nan 8.280 nan 0.000 0.551 373 P HA 0.011 nan 4.420 nan 0.000 0.271 373 P C -0.023 177.441 177.300 0.272 0.000 1.218 373 P CA -0.365 62.858 63.100 0.205 0.000 0.780 373 P CB 0.501 32.262 31.700 0.101 0.000 0.901 374 V N -0.075 119.921 119.914 0.137 0.000 3.003 374 V HA 0.315 4.438 4.120 0.004 0.000 0.305 374 V C 0.493 176.554 176.094 -0.055 0.000 1.078 374 V CA -0.606 61.635 62.300 -0.097 0.000 1.083 374 V CB 0.543 32.268 31.823 -0.163 0.000 1.039 374 V HN 0.449 nan 8.190 nan 0.000 0.481 375 N N 4.255 122.881 118.700 -0.123 0.000 2.482 375 N HA 0.185 4.928 4.740 0.004 0.000 0.242 375 N C 0.801 176.284 175.510 -0.046 0.000 1.100 375 N CA -0.363 52.664 53.050 -0.038 0.000 0.946 375 N CB 0.803 39.285 38.487 -0.010 0.000 1.227 375 N HN 0.780 nan 8.380 nan 0.000 0.508 376 M N 2.066 121.664 119.600 -0.002 0.000 2.110 376 M HA -0.215 4.267 4.480 0.004 0.000 0.257 376 M C 1.822 178.129 176.300 0.011 0.000 1.071 376 M CA 1.806 57.115 55.300 0.016 0.000 1.096 376 M CB -1.556 31.085 32.600 0.068 0.000 1.300 376 M HN 0.638 nan 8.290 nan 0.000 0.411 377 A N -0.284 122.553 122.820 0.029 0.000 1.902 377 A HA 0.022 4.345 4.320 0.004 0.000 0.217 377 A C 2.407 180.005 177.584 0.023 0.000 1.181 377 A CA 2.238 54.302 52.037 0.045 0.000 0.623 377 A CB -0.907 18.119 19.000 0.044 0.000 0.818 377 A HN 0.528 nan 8.150 nan 0.000 0.443 378 A N -0.688 122.135 122.820 0.005 0.000 1.873 378 A HA 0.034 4.356 4.320 0.004 0.000 0.215 378 A C 2.097 179.552 177.584 -0.215 0.000 1.186 378 A CA 1.642 53.685 52.037 0.010 0.000 0.616 378 A CB -0.593 18.491 19.000 0.140 0.000 0.823 378 A HN 0.613 nan 8.150 nan 0.000 0.442 379 L N -0.454 120.567 121.223 -0.336 0.000 2.093 379 L HA -0.132 4.211 4.340 0.004 0.000 0.208 379 L C 2.404 178.939 176.870 -0.559 0.000 1.085 379 L CA 2.526 56.937 54.840 -0.715 0.000 0.755 379 L CB -0.772 40.949 42.059 -0.564 0.000 0.904 379 L HN 0.494 nan 8.230 nan 0.000 0.435 380 Q N -0.008 119.654 119.800 -0.230 0.000 2.119 380 Q HA -0.244 4.099 4.340 0.004 0.000 0.201 380 Q C 2.317 178.248 176.000 -0.115 0.000 0.972 380 Q CA 2.083 57.818 55.803 -0.114 0.000 0.847 380 Q CB -0.229 28.520 28.738 0.019 0.000 0.903 380 Q HN 0.553 nan 8.270 nan 0.000 0.433 381 K N -0.933 119.442 120.400 -0.042 0.000 2.026 381 K HA -0.179 4.143 4.320 0.004 0.000 0.208 381 K C 1.923 178.455 176.600 -0.112 0.000 1.048 381 K CA 1.362 57.657 56.287 0.013 0.000 0.929 381 K CB -0.460 32.089 32.500 0.081 0.000 0.713 381 K HN 0.282 nan 8.250 nan 0.000 0.439 382 F N 1.039 120.728 119.950 -0.435 0.000 2.069 382 F HA -0.228 4.302 4.527 0.004 0.000 0.298 382 F C 1.602 177.180 175.800 -0.370 0.000 1.113 382 F CA 1.580 59.253 58.000 -0.545 0.000 1.214 382 F CB -0.476 37.781 39.000 -1.238 0.000 0.978 382 F HN -0.018 nan 8.300 nan 0.000 0.474 383 F N 0.416 120.127 119.950 -0.398 0.000 2.095 383 F HA -0.197 4.333 4.527 0.004 0.000 0.298 383 F C 2.525 178.085 175.800 -0.401 0.000 1.104 383 F CA 1.514 59.238 58.000 -0.460 0.000 1.232 383 F CB -1.580 37.198 39.000 -0.370 0.000 0.987 383 F HN -0.162 nan 8.300 nan 0.000 0.475 384 V N -0.158 119.663 119.914 -0.155 0.000 2.392 384 V HA -0.283 3.839 4.120 0.004 0.000 0.249 384 V C 2.129 178.127 176.094 -0.160 0.000 1.059 384 V CA 2.000 64.193 62.300 -0.178 0.000 1.051 384 V CB -0.671 30.938 31.823 -0.356 0.000 0.658 384 V HN 0.331 nan 8.190 nan 0.000 0.455 385 E N -0.517 119.568 120.200 -0.192 0.000 2.204 385 E HA -0.177 4.175 4.350 0.004 0.000 0.194 385 E C 2.039 178.508 176.600 -0.218 0.000 0.989 385 E CA 0.642 56.941 56.400 -0.170 0.000 0.824 385 E CB -0.042 29.572 29.700 -0.143 0.000 0.756 385 E HN 0.530 nan 8.360 nan 0.000 0.477 386 Q N -0.614 118.984 119.800 -0.337 0.000 2.444 386 Q HA 0.056 4.399 4.340 0.004 0.000 0.206 386 Q C 0.912 176.816 176.000 -0.160 0.000 0.948 386 Q CA 0.685 56.312 55.803 -0.292 0.000 0.946 386 Q CB 0.911 29.395 28.738 -0.423 0.000 1.027 386 Q HN 0.386 nan 8.270 nan 0.000 0.513 387 G N 0.876 109.599 108.800 -0.128 0.000 2.176 387 G HA2 -0.250 3.713 3.960 0.004 0.000 0.252 387 G HA3 -0.250 3.713 3.960 0.004 0.000 0.252 387 G C 0.180 175.037 174.900 -0.073 0.000 1.024 387 G CA 0.488 45.537 45.100 -0.084 0.000 0.755 387 G HN 0.348 nan 8.290 nan 0.000 0.507 388 V N -4.187 115.677 119.914 -0.084 0.000 2.823 388 V HA 0.847 4.970 4.120 0.004 0.000 0.312 388 V C -0.012 176.047 176.094 -0.058 0.000 1.072 388 V CA -1.652 60.593 62.300 -0.091 0.000 0.937 388 V CB 2.182 33.906 31.823 -0.164 0.000 1.013 388 V HN 0.626 nan 8.190 nan 0.000 0.430 389 W N 5.686 126.834 121.300 -0.254 0.000 2.282 389 W HA 0.724 5.387 4.660 0.005 0.000 0.322 389 W C -1.863 174.442 176.519 -0.357 0.000 1.011 389 W CA -0.793 56.384 57.345 -0.279 0.000 1.392 389 W CB 1.273 30.584 29.460 -0.249 0.000 1.215 389 W HN 0.616 nan 8.180 nan 0.000 0.394 390 I N 6.145 126.079 120.570 -1.061 0.000 2.447 390 I HA 0.225 4.398 4.170 0.004 0.000 0.287 390 I C -0.210 175.240 176.117 -1.113 0.000 1.023 390 I CA -0.843 59.778 61.300 -1.132 0.000 1.083 390 I CB 2.224 39.299 38.000 -1.543 0.000 1.245 390 I HN 0.213 nan 8.210 nan 0.000 0.434 391 R N 8.783 128.734 120.500 -0.915 0.000 2.332 391 R HA 0.455 4.798 4.340 0.004 0.000 0.306 391 R C -2.570 173.574 176.300 -0.260 0.000 1.117 391 R CA -1.663 54.084 56.100 -0.588 0.000 1.108 391 R CB 0.653 30.689 30.300 -0.441 0.000 1.126 391 R HN 0.246 nan 8.270 nan 0.000 0.548 392 P HA 0.245 nan 4.420 nan 0.000 0.276 392 P C -1.214 176.269 177.300 0.305 0.000 1.261 392 P CA -0.333 62.829 63.100 0.103 0.000 0.800 392 P CB 0.754 32.534 31.700 0.133 0.000 1.066 393 F N -0.511 119.543 119.950 0.174 0.000 2.623 393 F HA 0.500 5.030 4.527 0.005 0.000 0.323 393 F C 0.337 176.207 175.800 0.116 0.000 1.158 393 F CA 0.650 58.738 58.000 0.147 0.000 1.030 393 F CB 1.155 40.263 39.000 0.179 0.000 1.280 393 F HN 0.768 nan 8.300 nan 0.000 0.474 394 G N 5.685 114.447 108.800 -0.063 0.000 2.602 394 G HA2 -0.350 3.612 3.960 0.004 0.000 0.310 394 G HA3 -0.350 3.612 3.960 0.004 0.000 0.310 394 G C 0.434 175.292 174.900 -0.071 0.000 1.183 394 G CA 0.564 45.544 45.100 -0.199 0.000 0.979 394 G HN 0.844 nan 8.290 nan 0.000 0.545 395 K N 0.329 120.660 120.400 -0.114 0.000 2.498 395 K HA 0.474 4.797 4.320 0.004 0.000 0.207 395 K C -0.086 176.536 176.600 0.037 0.000 1.033 395 K CA -0.106 56.192 56.287 0.019 0.000 1.138 395 K CB 0.222 32.722 32.500 0.001 0.000 0.860 395 K HN 0.310 nan 8.250 nan 0.000 0.490 396 L N 1.661 122.898 121.223 0.022 0.000 2.325 396 L HA 0.504 4.846 4.340 0.004 0.000 0.281 396 L C -0.485 176.547 176.870 0.270 0.000 1.004 396 L CA -0.688 54.227 54.840 0.124 0.000 0.823 396 L CB 1.711 43.805 42.059 0.057 0.000 1.236 396 L HN -0.020 nan 8.230 nan 0.000 0.415 397 I N 4.485 125.202 120.570 0.244 0.000 2.405 397 I HA 0.314 4.487 4.170 0.004 0.000 0.280 397 I C -0.874 175.348 176.117 0.175 0.000 1.027 397 I CA -0.639 60.775 61.300 0.189 0.000 1.161 397 I CB 0.605 38.724 38.000 0.199 0.000 1.300 397 I HN 0.482 nan 8.210 nan 0.000 0.463 398 Y N 5.496 125.782 120.300 -0.024 0.000 2.576 398 Y HA 0.872 5.424 4.550 0.004 0.000 0.346 398 Y C -1.584 174.242 175.900 -0.123 0.000 1.018 398 Y CA -1.614 56.452 58.100 -0.056 0.000 1.050 398 Y CB 1.287 39.727 38.460 -0.034 0.000 1.280 398 Y HN 0.229 nan 8.280 nan 0.000 0.474 399 L N 4.005 125.196 121.223 -0.053 0.000 2.386 399 L HA 0.622 4.965 4.340 0.004 0.000 0.271 399 L C -0.593 176.250 176.870 -0.046 0.000 0.993 399 L CA -1.169 53.592 54.840 -0.133 0.000 0.819 399 L CB 2.148 44.151 42.059 -0.093 0.000 1.294 399 L HN 0.911 nan 8.230 nan 0.000 0.414 400 M N 1.624 121.168 119.600 -0.092 0.000 2.542 400 M HA 0.382 4.865 4.480 0.004 0.000 0.273 400 M C -2.950 173.343 176.300 -0.012 0.000 1.296 400 M CA -1.400 53.864 55.300 -0.060 0.000 0.631 400 M CB 1.034 33.491 32.600 -0.238 0.000 1.747 400 M HN 0.095 nan 8.290 nan 0.000 0.378 401 P HA 0.434 nan 4.420 nan 0.000 0.274 401 P C -2.688 174.665 177.300 0.089 0.000 1.237 401 P CA -0.993 62.134 63.100 0.045 0.000 0.793 401 P CB -0.169 31.559 31.700 0.047 0.000 0.977 402 P HA -0.027 nan 4.420 nan 0.000 0.268 402 P C 0.683 178.081 177.300 0.162 0.000 1.208 402 P CA 0.405 63.499 63.100 -0.010 0.000 0.777 402 P CB -0.121 31.566 31.700 -0.021 0.000 0.875 403 Y N 1.599 121.919 120.300 0.034 0.000 2.421 403 Y HA -0.067 4.485 4.550 0.005 0.000 0.292 403 Y C 1.872 177.829 175.900 0.095 0.000 1.136 403 Y CA 0.619 58.768 58.100 0.082 0.000 1.255 403 Y CB -1.435 37.099 38.460 0.122 0.000 0.991 403 Y HN 0.311 nan 8.280 nan 0.000 0.552 404 I N -2.090 118.621 120.570 0.236 0.000 3.564 404 I HA 0.110 4.283 4.170 0.004 0.000 0.294 404 I C 0.913 177.106 176.117 0.126 0.000 1.289 404 I CA -0.039 61.368 61.300 0.177 0.000 1.325 404 I CB -0.401 37.700 38.000 0.168 0.000 1.039 404 I HN -0.071 nan 8.210 nan 0.000 0.474 405 I N 2.370 123.012 120.570 0.120 0.000 2.815 405 I HA 0.002 4.175 4.170 0.004 0.000 0.291 405 I C 0.068 176.226 176.117 0.069 0.000 1.209 405 I CA 0.136 61.487 61.300 0.085 0.000 1.431 405 I CB 0.551 38.597 38.000 0.078 0.000 1.351 405 I HN 0.173 nan 8.210 nan 0.000 0.585 406 L N 8.428 129.681 121.223 0.051 0.000 2.439 406 L HA 0.284 4.626 4.340 0.004 0.000 0.261 406 L C -1.584 175.305 176.870 0.031 0.000 1.153 406 L CA -1.428 53.436 54.840 0.039 0.000 0.808 406 L CB 0.220 42.297 42.059 0.030 0.000 1.126 406 L HN 0.501 nan 8.230 nan 0.000 0.460 407 P HA -0.201 nan 4.420 nan 0.000 0.216 407 P C 1.192 178.502 177.300 0.016 0.000 1.150 407 P CA 0.866 63.978 63.100 0.021 0.000 0.837 407 P CB 0.133 31.844 31.700 0.018 0.000 0.786 408 Q N 0.019 119.828 119.800 0.014 0.000 2.079 408 Q HA -0.217 4.126 4.340 0.004 0.000 0.200 408 Q C 2.115 178.120 176.000 0.007 0.000 0.974 408 Q CA 1.739 57.548 55.803 0.010 0.000 0.840 408 Q CB -0.345 28.398 28.738 0.008 0.000 0.898 408 Q HN 0.365 nan 8.270 nan 0.000 0.430 409 Q N -0.036 119.770 119.800 0.010 0.000 2.079 409 Q HA -0.154 4.188 4.340 0.004 0.000 0.200 409 Q C 2.174 178.175 176.000 0.002 0.000 0.974 409 Q CA 1.162 56.968 55.803 0.006 0.000 0.840 409 Q CB -0.106 28.641 28.738 0.015 0.000 0.898 409 Q HN 0.225 nan 8.270 nan 0.000 0.430 410 L N 1.086 122.314 121.223 0.010 0.000 2.046 410 L HA -0.230 4.112 4.340 0.004 0.000 0.208 410 L C 2.298 179.168 176.870 0.001 0.000 1.077 410 L CA 1.890 56.734 54.840 0.006 0.000 0.747 410 L CB -0.589 41.481 42.059 0.018 0.000 0.896 410 L HN 0.219 nan 8.230 nan 0.000 0.432 411 Q N -0.981 118.823 119.800 0.007 0.000 2.124 411 Q HA -0.215 4.128 4.340 0.004 0.000 0.202 411 Q C 2.332 178.335 176.000 0.005 0.000 0.977 411 Q CA 1.486 57.294 55.803 0.009 0.000 0.850 411 Q CB 0.002 28.747 28.738 0.012 0.000 0.901 411 Q HN 0.462 nan 8.270 nan 0.000 0.429 412 R N -0.295 120.203 120.500 -0.003 0.000 2.096 412 R HA -0.102 4.241 4.340 0.004 0.000 0.235 412 R C 2.306 178.593 176.300 -0.022 0.000 1.127 412 R CA 1.201 57.295 56.100 -0.011 0.000 0.968 412 R CB -0.178 30.109 30.300 -0.021 0.000 0.861 412 R HN 0.297 nan 8.270 nan 0.000 0.440 413 L N -0.042 121.158 121.223 -0.039 0.000 2.027 413 L HA -0.165 4.178 4.340 0.004 0.000 0.206 413 L C 2.729 179.574 176.870 -0.042 0.000 1.074 413 L CA 1.796 56.590 54.840 -0.077 0.000 0.745 413 L CB -0.909 41.092 42.059 -0.097 0.000 0.898 413 L HN 0.372 nan 8.230 nan 0.000 0.433 414 T N -2.471 112.077 114.554 -0.011 0.000 2.821 414 T HA -0.099 4.254 4.350 0.004 0.000 0.267 414 T C 1.966 176.696 174.700 0.050 0.000 1.046 414 T CA 0.878 62.988 62.100 0.017 0.000 1.139 414 T CB -0.393 68.487 68.868 0.020 0.000 0.871 414 T HN 0.291 nan 8.240 nan 0.000 0.454 415 A N 2.089 124.939 122.820 0.049 0.000 1.908 415 A HA 0.250 4.573 4.320 0.004 0.000 0.218 415 A C 2.852 180.514 177.584 0.130 0.000 1.181 415 A CA 2.081 54.162 52.037 0.075 0.000 0.627 415 A CB -1.466 17.567 19.000 0.055 0.000 0.818 415 A HN 0.782 nan 8.150 nan 0.000 0.445 416 A N -0.690 122.208 122.820 0.131 0.000 1.902 416 A HA 0.015 4.338 4.320 0.004 0.000 0.217 416 A C 2.247 180.087 177.584 0.426 0.000 1.181 416 A CA 1.776 53.971 52.037 0.263 0.000 0.623 416 A CB -0.911 18.197 19.000 0.180 0.000 0.818 416 A HN 0.384 nan 8.150 nan 0.000 0.443 417 V N 1.004 121.077 119.914 0.265 0.000 2.295 417 V HA -0.273 3.850 4.120 0.004 0.000 0.246 417 V C 2.349 178.585 176.094 0.237 0.000 1.049 417 V CA 2.108 64.571 62.300 0.271 0.000 1.024 417 V CB -0.925 30.968 31.823 0.117 0.000 0.648 417 V HN 0.576 nan 8.190 nan 0.000 0.447 418 N N 0.030 118.832 118.700 0.170 0.000 2.104 418 N HA -0.220 4.523 4.740 0.004 0.000 0.190 418 N C 2.061 177.662 175.510 0.152 0.000 1.024 418 N CA 1.690 54.821 53.050 0.135 0.000 0.853 418 N CB -0.301 38.245 38.487 0.099 0.000 1.008 418 N HN 0.436 nan 8.380 nan 0.000 0.424 419 R N 0.891 121.514 120.500 0.205 0.000 2.092 419 R HA -0.001 4.342 4.340 0.004 0.000 0.231 419 R C 2.087 178.464 176.300 0.129 0.000 1.119 419 R CA 1.177 57.404 56.100 0.211 0.000 0.970 419 R CB -0.098 30.412 30.300 0.350 0.000 0.864 419 R HN 0.138 nan 8.270 nan 0.000 0.440 420 A N 0.435 123.348 122.820 0.156 0.000 1.972 420 A HA -0.101 4.222 4.320 0.004 0.000 0.219 420 A C 1.939 179.628 177.584 0.176 0.000 1.169 420 A CA 1.555 53.575 52.037 -0.028 0.000 0.635 420 A CB -0.317 18.690 19.000 0.013 0.000 0.810 420 A HN 0.330 nan 8.150 nan 0.000 0.446 421 V N -3.532 116.513 119.914 0.219 0.000 3.596 421 V HA 0.092 4.215 4.120 0.004 0.000 0.289 421 V C 1.426 177.573 176.094 0.089 0.000 1.336 421 V CA 0.572 63.019 62.300 0.245 0.000 1.137 421 V CB -0.184 31.749 31.823 0.184 0.000 0.966 421 V HN 0.338 nan 8.190 nan 0.000 0.428 422 Q N 2.443 122.280 119.800 0.062 0.000 2.224 422 Q HA 0.067 4.410 4.340 0.004 0.000 0.203 422 Q C 0.624 176.605 176.000 -0.033 0.000 0.970 422 Q CA 1.592 57.399 55.803 0.007 0.000 0.865 422 Q CB -0.024 28.721 28.738 0.011 0.000 0.922 422 Q HN 1.071 nan 8.270 nan 0.000 0.445 423 D N -2.295 118.084 120.400 -0.036 0.000 2.812 423 D HA 0.004 4.647 4.640 0.004 0.000 0.318 423 D C 0.221 176.508 176.300 -0.021 0.000 1.234 423 D CA -0.460 53.498 54.000 -0.070 0.000 0.989 423 D CB 0.008 40.750 40.800 -0.097 0.000 1.442 423 D HN -0.137 nan 8.370 nan 0.000 0.537 424 E N -0.627 119.554 120.200 -0.032 0.000 2.465 424 E HA 0.040 4.392 4.350 0.004 0.000 0.191 424 E C 0.679 177.312 176.600 0.055 0.000 1.053 424 E CA 0.138 56.592 56.400 0.091 0.000 0.869 424 E CB -0.556 29.162 29.700 0.030 0.000 0.977 424 E HN 0.451 nan 8.360 nan 0.000 0.483 425 T N 1.194 115.625 114.554 -0.207 0.000 2.653 425 T HA -0.169 4.184 4.350 0.004 0.000 0.268 425 T C 0.605 174.996 174.700 -0.515 0.000 1.035 425 T CA 1.495 63.289 62.100 -0.510 0.000 1.154 425 T CB -0.272 67.975 68.868 -1.035 0.000 0.862 425 T HN 0.226 nan 8.240 nan 0.000 0.441 426 F N 0.039 119.883 119.950 -0.177 0.000 2.668 426 F HA 0.461 4.990 4.527 0.005 0.000 0.297 426 F C -0.120 175.314 175.800 -0.610 0.000 1.124 426 F CA -1.607 56.149 58.000 -0.406 0.000 1.353 426 F CB -0.569 38.059 39.000 -0.620 0.000 0.992 426 F HN 0.023 nan 8.300 nan 0.000 0.524 427 F N -2.068 117.911 119.950 0.049 0.000 2.507 427 F HA 0.523 5.053 4.527 0.005 0.000 0.327 427 F C 1.083 176.915 175.800 0.054 0.000 1.068 427 F CA -0.674 57.364 58.000 0.063 0.000 0.965 427 F CB 1.342 40.383 39.000 0.068 0.000 1.192 427 F HN 0.025 nan 8.300 nan 0.000 0.476 428 C N -0.189 119.265 119.300 0.257 0.000 5.886 428 C HA -0.167 4.295 4.460 0.004 0.000 0.328 428 C C -0.144 174.891 174.990 0.076 0.000 2.430 428 C CA 0.496 59.597 59.018 0.138 0.000 2.194 428 C CB -1.463 26.322 27.740 0.074 0.000 3.234 428 C HN 0.979 nan 8.230 nan 0.000 0.262 429 Q N 0.000 119.831 119.800 0.052 0.000 2.315 429 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 429 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 429 Q CB 0.000 28.758 28.738 0.032 0.000 1.108 429 Q HN 0.000 nan 8.270 nan 0.000 0.481