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 3ekg_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLSIPTIKQV RAFVLRGGGA DYHDQGDGHW IDDHISTPXG KYPEYRQSRR DATA SEQUENCE SFGINVLGTL VVEIEASDGN VGFAVTTGGE PAAYIVEKHL ARFLEGARVT DATA SEQUENCE DIERIWDQXY NSTLYYGRKG LVINTISGVD LALWDLLGKV RREPVHQLLG DATA SEQUENCE GAVRDELQFY ATGARPDLAQ KXGFIGGKXP LHHGPSEGEE GLKKNLEELA DATA SEQUENCE TXRERVGPDF WLXFDCWXSL DLNYATRLAR GAREYGLKWI EEALPPDDYW DATA SEQUENCE GYAELRRNAP TGXXVTTGEH EATRWGFRXL LEXGCCDIIQ PDVGWCGGVT DATA SEQUENCE ELLKISALAD AHNALVVPHG SSVYSYHFVA TRQNSPFAEF LXXAPKADQV DATA SEQUENCE VPXFHPQLLG EPVPENGRXR LSRLDQPGFG VTLNPECQLH RPYTH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.601 174.600 0.002 0.000 1.055 2 S CA 0.000 58.201 58.200 0.002 0.000 1.107 2 S CB 0.000 63.201 63.200 0.002 0.000 0.593 3 L N 2.413 123.637 121.223 0.001 0.000 2.514 3 L HA 0.373 4.714 4.340 0.001 0.000 0.280 3 L C 0.477 177.347 176.870 0.001 0.000 1.223 3 L CA 0.771 55.611 54.840 0.001 0.000 0.864 3 L CB 0.716 42.774 42.059 -0.000 0.000 1.118 3 L HN 0.699 nan 8.230 nan 0.000 0.494 4 S N 5.819 121.520 115.700 0.002 0.000 2.422 4 S HA 0.376 4.847 4.470 0.001 0.000 0.283 4 S C -0.095 174.506 174.600 0.001 0.000 1.163 4 S CA -0.880 57.322 58.200 0.003 0.000 1.054 4 S CB -0.425 62.777 63.200 0.005 0.000 0.967 4 S HN 0.437 nan 8.310 nan 0.000 0.499 5 I N 8.298 128.867 120.570 -0.001 0.000 2.396 5 I HA 0.311 4.482 4.170 0.001 0.000 0.289 5 I C -1.448 174.669 176.117 0.000 0.000 1.056 5 I CA -2.458 58.840 61.300 -0.004 0.000 1.365 5 I CB 0.366 38.361 38.000 -0.009 0.000 1.407 5 I HN 0.499 nan 8.210 nan 0.000 0.509 6 P HA 0.244 nan 4.420 nan 0.000 0.276 6 P C -0.335 176.970 177.300 0.007 0.000 1.252 6 P CA -0.165 62.940 63.100 0.007 0.000 0.802 6 P CB 0.830 32.537 31.700 0.012 0.000 1.035 7 T N -2.095 112.467 114.554 0.013 0.000 2.948 7 T HA 0.585 4.936 4.350 0.001 0.000 0.285 7 T C 0.502 175.216 174.700 0.022 0.000 1.019 7 T CA -0.924 61.185 62.100 0.015 0.000 1.013 7 T CB 0.599 69.477 68.868 0.017 0.000 1.117 7 T HN 0.229 nan 8.240 nan 0.000 0.533 8 I N 1.841 122.427 120.570 0.027 0.000 2.352 8 I HA 0.264 4.435 4.170 0.001 0.000 0.290 8 I C 1.523 177.664 176.117 0.040 0.000 1.036 8 I CA -0.522 60.800 61.300 0.037 0.000 1.336 8 I CB 1.320 39.344 38.000 0.041 0.000 1.407 8 I HN 0.832 nan 8.210 nan 0.000 0.497 9 K N 5.215 125.642 120.400 0.045 0.000 2.067 9 K HA 0.080 4.401 4.320 0.001 0.000 0.203 9 K C 0.572 177.204 176.600 0.053 0.000 1.048 9 K CA 0.943 57.255 56.287 0.042 0.000 0.954 9 K CB 0.449 32.972 32.500 0.038 0.000 0.737 9 K HN 0.666 nan 8.250 nan 0.000 0.444 10 Q N 0.197 120.038 119.800 0.069 0.000 2.426 10 Q HA 0.277 4.618 4.340 0.001 0.000 0.278 10 Q C -2.178 173.890 176.000 0.113 0.000 1.007 10 Q CA -0.639 55.220 55.803 0.093 0.000 0.850 10 Q CB 2.468 31.243 28.738 0.062 0.000 1.427 10 Q HN 0.055 nan 8.270 nan 0.000 0.391 11 V N 3.265 123.267 119.914 0.147 0.000 2.513 11 V HA 0.739 4.860 4.120 0.001 0.000 0.299 11 V C -1.334 174.841 176.094 0.136 0.000 1.035 11 V CA -0.303 62.068 62.300 0.118 0.000 0.889 11 V CB 1.766 33.624 31.823 0.059 0.000 0.988 11 V HN 0.802 nan 8.190 nan 0.000 0.440 12 R N 4.378 124.920 120.500 0.071 0.000 2.686 12 R HA 0.829 5.170 4.340 0.001 0.000 0.283 12 R C -1.116 175.068 176.300 -0.194 0.000 0.978 12 R CA -0.513 55.533 56.100 -0.090 0.000 0.897 12 R CB 2.263 32.477 30.300 -0.144 0.000 1.192 12 R HN 0.841 nan 8.270 nan 0.000 0.457 13 A N 3.060 125.675 122.820 -0.342 0.000 2.331 13 A HA 0.791 5.112 4.320 0.001 0.000 0.320 13 A C -1.222 176.109 177.584 -0.422 0.000 1.138 13 A CA -0.453 51.460 52.037 -0.207 0.000 0.790 13 A CB 0.545 19.533 19.000 -0.021 0.000 1.206 13 A HN 0.542 nan 8.150 nan 0.000 0.470 14 F N 0.811 120.834 119.950 0.120 0.000 2.611 14 F HA 0.668 5.195 4.527 0.001 0.000 0.324 14 F C -0.026 175.835 175.800 0.103 0.000 1.061 14 F CA -0.859 57.208 58.000 0.111 0.000 0.954 14 F CB 2.366 41.413 39.000 0.079 0.000 1.301 14 F HN 0.314 nan 8.300 nan 0.000 0.482 15 V N 2.814 122.914 119.914 0.309 0.000 2.604 15 V HA 0.591 4.712 4.120 0.001 0.000 0.305 15 V C -1.213 174.953 176.094 0.121 0.000 1.043 15 V CA -0.656 61.741 62.300 0.161 0.000 0.888 15 V CB 1.917 33.780 31.823 0.067 0.000 0.995 15 V HN 0.528 nan 8.190 nan 0.000 0.429 16 L N 5.351 126.611 121.223 0.062 0.000 2.401 16 L HA 0.812 5.153 4.340 0.001 0.000 0.266 16 L C -0.618 176.242 176.870 -0.017 0.000 0.991 16 L CA -0.353 54.500 54.840 0.020 0.000 0.818 16 L CB 2.033 44.097 42.059 0.009 0.000 1.321 16 L HN 0.552 nan 8.230 nan 0.000 0.413 17 R N 2.879 123.362 120.500 -0.029 0.000 2.740 17 R HA 0.850 5.191 4.340 0.001 0.000 0.282 17 R C -0.592 175.676 176.300 -0.054 0.000 0.969 17 R CA -0.642 55.431 56.100 -0.044 0.000 0.918 17 R CB 1.465 31.741 30.300 -0.040 0.000 1.175 17 R HN 0.843 nan 8.270 nan 0.000 0.464 18 G N 0.697 109.459 108.800 -0.063 0.000 2.860 18 G HA2 0.283 4.244 3.960 0.001 0.000 0.547 18 G HA3 0.283 4.244 3.960 0.001 0.000 0.547 18 G C 0.437 175.283 174.900 -0.090 0.000 1.103 18 G CA 0.268 45.329 45.100 -0.066 0.000 1.126 18 G HN 1.046 nan 8.290 nan 0.000 0.490 19 G N 0.929 109.670 108.800 -0.098 0.000 2.564 19 G HA2 0.394 4.354 3.960 0.001 0.000 0.273 19 G HA3 0.394 4.354 3.960 0.001 0.000 0.273 19 G C 1.520 176.310 174.900 -0.183 0.000 1.242 19 G CA 1.834 46.864 45.100 -0.116 0.000 0.951 19 G HN 3.101 nan 8.290 nan 0.000 0.564 20 G N -1.801 106.883 108.800 -0.192 0.000 2.525 20 G HA2 0.227 4.188 3.960 0.001 0.000 0.248 20 G HA3 0.227 4.188 3.960 0.001 0.000 0.248 20 G C 1.609 176.049 174.900 -0.767 0.000 1.238 20 G CA 2.281 47.194 45.100 -0.312 0.000 0.926 20 G HN 2.500 nan 8.290 nan 0.000 0.574 21 A N -0.597 121.601 122.820 -1.036 0.000 1.917 21 A HA 0.085 4.406 4.320 0.001 0.000 0.219 21 A C 1.525 178.467 177.584 -1.071 0.000 1.182 21 A CA 2.513 53.610 52.037 -1.567 0.000 0.633 21 A CB -0.469 18.067 19.000 -0.773 0.000 0.819 21 A HN 1.178 nan 8.150 nan 0.000 0.448 22 D N -0.807 119.267 120.400 -0.544 0.000 2.470 22 D HA 0.225 4.866 4.640 0.001 0.000 0.226 22 D C 0.623 176.755 176.300 -0.279 0.000 1.196 22 D CA -0.392 53.442 54.000 -0.276 0.000 0.979 22 D CB -0.339 40.400 40.800 -0.103 0.000 1.059 22 D HN 0.434 nan 8.370 nan 0.000 0.515 23 Y N 1.477 121.711 120.300 -0.109 0.000 2.173 23 Y HA -0.248 4.303 4.550 0.002 0.000 0.282 23 Y C 1.734 177.366 175.900 -0.446 0.000 1.192 23 Y CA 1.527 59.457 58.100 -0.282 0.000 1.176 23 Y CB -0.671 37.594 38.460 -0.325 0.000 0.969 23 Y HN 0.596 nan 8.280 nan 0.000 0.519 24 H N -1.798 117.305 119.070 0.055 0.000 2.539 24 H HA 0.069 4.626 4.556 0.001 0.000 0.267 24 H C 0.257 175.497 175.328 -0.148 0.000 0.982 24 H CA 0.316 56.298 56.048 -0.109 0.000 1.146 24 H CB -0.020 29.683 29.762 -0.098 0.000 1.382 24 H HN 0.094 nan 8.280 nan 0.000 0.577 25 D N 1.714 122.083 120.400 -0.052 0.000 2.845 25 D HA 0.016 4.657 4.640 0.001 0.000 0.235 25 D C -0.183 176.057 176.300 -0.099 0.000 1.158 25 D CA -0.133 53.824 54.000 -0.071 0.000 0.990 25 D CB -0.120 40.636 40.800 -0.073 0.000 1.094 25 D HN 0.204 nan 8.370 nan 0.000 0.486 26 Q N -0.246 119.480 119.800 -0.123 0.000 2.286 26 Q HA 0.649 4.990 4.340 0.001 0.000 0.250 26 Q C 0.652 176.614 176.000 -0.065 0.000 1.021 26 Q CA -0.988 54.744 55.803 -0.119 0.000 0.930 26 Q CB 1.073 29.661 28.738 -0.250 0.000 1.266 26 Q HN 0.300 nan 8.270 nan 0.000 0.491 27 G N -0.233 108.556 108.800 -0.017 0.000 2.641 27 G HA2 0.318 4.278 3.960 0.001 0.000 0.239 27 G HA3 0.318 4.278 3.960 0.001 0.000 0.239 27 G C -0.545 174.362 174.900 0.012 0.000 1.402 27 G CA -0.431 44.669 45.100 -0.000 0.000 1.046 27 G HN 0.409 nan 8.290 nan 0.000 0.565 28 D N -0.753 119.659 120.400 0.020 0.000 2.358 28 D HA 0.407 5.048 4.640 0.001 0.000 0.244 28 D C 1.217 177.547 176.300 0.050 0.000 1.163 28 D CA 1.043 55.059 54.000 0.026 0.000 0.945 28 D CB 1.010 41.821 40.800 0.018 0.000 1.152 28 D HN 0.900 nan 8.370 nan 0.000 0.451 29 G N 0.327 109.158 108.800 0.051 0.000 2.153 29 G HA2 -0.276 3.685 3.960 0.001 0.000 0.252 29 G HA3 -0.276 3.685 3.960 0.001 0.000 0.252 29 G C 0.070 175.014 174.900 0.074 0.000 0.994 29 G CA 0.731 45.865 45.100 0.057 0.000 0.698 29 G HN 0.742 nan 8.290 nan 0.000 0.521 30 H N -0.323 118.740 119.070 -0.011 0.000 2.473 30 H HA 0.417 4.974 4.556 0.001 0.000 0.327 30 H C 1.674 176.969 175.328 -0.055 0.000 1.105 30 H CA -0.535 55.480 56.048 -0.055 0.000 1.280 30 H CB 0.286 29.952 29.762 -0.161 0.000 1.450 30 H HN 0.288 nan 8.280 nan 0.000 0.492 31 W N 4.816 126.218 121.300 0.169 0.000 2.350 31 W HA -0.170 4.491 4.660 0.002 0.000 0.289 31 W C 0.766 177.450 176.519 0.276 0.000 1.215 31 W CA 0.563 58.028 57.345 0.200 0.000 1.236 31 W CB -0.595 28.944 29.460 0.132 0.000 1.130 31 W HN 0.579 nan 8.180 nan 0.000 0.541 32 I N 1.599 121.719 120.570 -0.750 0.000 3.083 32 I HA -0.199 3.972 4.170 0.001 0.000 0.273 32 I C 0.838 176.744 176.117 -0.352 0.000 1.297 32 I CA 1.800 62.500 61.300 -1.001 0.000 1.452 32 I CB -0.374 36.810 38.000 -1.360 0.000 1.078 32 I HN -0.129 nan 8.210 nan 0.000 0.484 33 D N -0.457 119.851 120.400 -0.153 0.000 2.563 33 D HA 0.022 4.663 4.640 0.001 0.000 0.237 33 D C -0.215 176.098 176.300 0.021 0.000 1.282 33 D CA -0.176 53.768 54.000 -0.094 0.000 0.816 33 D CB 0.139 40.869 40.800 -0.117 0.000 1.066 33 D HN 0.043 nan 8.370 nan 0.000 0.501 34 D N 0.125 120.601 120.400 0.127 0.000 2.524 34 D HA 0.073 4.714 4.640 0.001 0.000 0.222 34 D C -0.078 176.392 176.300 0.284 0.000 1.142 34 D CA -0.021 54.090 54.000 0.186 0.000 0.973 34 D CB -0.454 40.472 40.800 0.210 0.000 1.025 34 D HN 0.172 nan 8.370 nan 0.000 0.519 35 H N 3.233 122.362 119.070 0.098 0.000 2.770 35 H HA -0.175 4.383 4.556 0.002 0.000 0.309 35 H C -0.482 174.966 175.328 0.201 0.000 1.206 35 H CA 0.150 56.262 56.048 0.106 0.000 1.147 35 H CB -0.809 28.969 29.762 0.027 0.000 1.422 35 H HN 0.368 nan 8.280 nan 0.000 0.420 36 I N 1.313 122.014 120.570 0.218 0.000 2.556 36 I HA -0.038 4.133 4.170 0.001 0.000 0.284 36 I C 1.391 177.566 176.117 0.096 0.000 1.114 36 I CA 0.468 61.861 61.300 0.154 0.000 1.418 36 I CB 0.912 38.924 38.000 0.021 0.000 1.394 36 I HN 0.255 nan 8.210 nan 0.000 0.552 37 S N 5.421 121.184 115.700 0.105 0.000 2.516 37 S HA 0.357 4.828 4.470 0.001 0.000 0.282 37 S C 0.186 174.892 174.600 0.176 0.000 1.286 37 S CA -0.258 58.002 58.200 0.100 0.000 1.066 37 S CB -0.047 63.193 63.200 0.066 0.000 0.884 37 S HN 0.860 nan 8.310 nan 0.000 0.491 38 T N 3.134 117.790 114.554 0.171 0.000 2.812 38 T HA 0.696 5.047 4.350 0.001 0.000 0.294 38 T C -3.067 171.689 174.700 0.094 0.000 1.159 38 T CA -1.780 60.487 62.100 0.278 0.000 1.008 38 T CB 0.831 69.926 68.868 0.378 0.000 1.289 38 T HN 0.342 nan 8.240 nan 0.000 0.514 42 K N -0.006 120.303 120.400 -0.151 0.000 2.515 42 K HA 0.098 4.419 4.320 0.001 0.000 0.196 42 K C -0.336 176.077 176.600 -0.313 0.000 1.038 42 K CA 0.331 56.450 56.287 -0.279 0.000 0.967 42 K CB -0.136 32.103 32.500 -0.434 0.000 0.780 42 K HN 0.289 nan 8.250 nan 0.000 0.483 43 Y N 0.977 121.313 120.300 0.061 0.000 2.417 43 Y HA 0.279 4.830 4.550 0.002 0.000 0.336 43 Y C -1.847 174.102 175.900 0.082 0.000 0.961 43 Y CA -3.007 55.153 58.100 0.099 0.000 1.215 43 Y CB 1.718 40.308 38.460 0.217 0.000 1.120 43 Y HN -0.097 nan 8.280 nan 0.000 0.499 44 P HA -0.218 nan 4.420 nan 0.000 0.217 44 P C 0.765 178.088 177.300 0.038 0.000 1.151 44 P CA 1.724 64.876 63.100 0.086 0.000 0.849 44 P CB 0.440 32.179 31.700 0.064 0.000 0.787 45 E N -2.152 118.040 120.200 -0.014 0.000 2.204 45 E HA -0.164 4.187 4.350 0.001 0.000 0.195 45 E C 0.760 177.139 176.600 -0.369 0.000 0.990 45 E CA 1.170 57.424 56.400 -0.243 0.000 0.821 45 E CB -0.845 28.596 29.700 -0.432 0.000 0.750 45 E HN 0.494 nan 8.360 nan 0.000 0.477 46 Y N -0.846 119.522 120.300 0.112 0.000 2.660 46 Y HA 0.344 4.895 4.550 0.001 0.000 0.254 46 Y C 1.696 177.674 175.900 0.129 0.000 1.176 46 Y CA -0.540 57.649 58.100 0.149 0.000 1.195 46 Y CB 0.336 38.930 38.460 0.223 0.000 1.190 46 Y HN -0.103 nan 8.280 nan 0.000 0.535 47 R N 0.200 120.773 120.500 0.123 0.000 2.112 47 R HA -0.118 4.223 4.340 0.001 0.000 0.216 47 R C 2.024 178.190 176.300 -0.223 0.000 1.080 47 R CA 1.110 57.187 56.100 -0.038 0.000 0.996 47 R CB 0.232 30.484 30.300 -0.080 0.000 0.902 47 R HN 0.249 nan 8.270 nan 0.000 0.449 48 Q N 0.425 120.146 119.800 -0.132 0.000 2.123 48 Q HA 0.013 4.354 4.340 0.001 0.000 0.199 48 Q C -0.097 175.879 176.000 -0.040 0.000 0.966 48 Q CA 1.179 56.926 55.803 -0.093 0.000 0.845 48 Q CB 0.208 28.958 28.738 0.020 0.000 0.907 48 Q HN 0.145 nan 8.270 nan 0.000 0.439 49 S N -0.863 114.820 115.700 -0.029 0.000 2.561 49 S HA 0.428 4.899 4.470 0.001 0.000 0.303 49 S C 0.061 174.572 174.600 -0.148 0.000 1.110 49 S CA -0.787 57.372 58.200 -0.068 0.000 1.034 49 S CB 0.912 64.074 63.200 -0.063 0.000 1.010 49 S HN 0.376 nan 8.310 nan 0.000 0.482 50 R N 2.628 122.944 120.500 -0.307 0.000 2.148 50 R HA 0.077 4.418 4.340 0.001 0.000 0.223 50 R C 1.911 177.603 176.300 -1.014 0.000 1.088 50 R CA 0.805 56.425 56.100 -0.800 0.000 0.985 50 R CB -0.054 29.824 30.300 -0.704 0.000 0.880 50 R HN 0.628 nan 8.270 nan 0.000 0.451 51 R N 0.459 120.664 120.500 -0.493 0.000 2.148 51 R HA -0.075 4.266 4.340 0.001 0.000 0.227 51 R C 2.450 178.599 176.300 -0.252 0.000 1.103 51 R CA 1.569 57.460 56.100 -0.348 0.000 0.983 51 R CB -0.205 29.979 30.300 -0.193 0.000 0.874 51 R HN 0.234 nan 8.270 nan 0.000 0.451 52 S N 1.223 116.826 115.700 -0.162 0.000 2.399 52 S HA -0.158 4.313 4.470 0.001 0.000 0.231 52 S C 1.631 176.374 174.600 0.239 0.000 1.022 52 S CA 1.078 59.313 58.200 0.059 0.000 0.983 52 S CB -0.415 62.856 63.200 0.118 0.000 0.803 52 S HN 0.507 nan 8.310 nan 0.000 0.480 53 F N 0.563 120.596 119.950 0.139 0.000 2.693 53 F HA 0.660 5.188 4.527 0.001 0.000 0.303 53 F C 1.229 176.982 175.800 -0.079 0.000 1.097 53 F CA -0.826 57.131 58.000 -0.073 0.000 1.330 53 F CB -0.606 38.247 39.000 -0.247 0.000 1.067 53 F HN 0.298 nan 8.300 nan 0.000 0.565 54 G N 1.716 110.445 108.800 -0.118 0.000 2.164 54 G HA2 -0.292 3.669 3.960 0.001 0.000 0.212 54 G HA3 -0.292 3.669 3.960 0.001 0.000 0.212 54 G C 0.704 175.543 174.900 -0.102 0.000 1.031 54 G CA 0.218 45.277 45.100 -0.069 0.000 0.730 54 G HN 0.588 nan 8.290 nan 0.000 0.501 55 I N 0.414 120.776 120.570 -0.347 0.000 3.001 55 I HA -0.045 4.125 4.170 0.001 0.000 0.268 55 I C 1.635 177.680 176.117 -0.121 0.000 1.267 55 I CA 1.495 62.650 61.300 -0.241 0.000 1.472 55 I CB 0.055 37.730 38.000 -0.541 0.000 1.089 55 I HN 0.417 nan 8.210 nan 0.000 0.468 56 N N 0.009 118.637 118.700 -0.119 0.000 2.328 56 N HA -0.029 4.712 4.740 0.001 0.000 0.247 56 N C 0.933 176.415 175.510 -0.047 0.000 1.165 56 N CA 0.046 53.059 53.050 -0.061 0.000 0.873 56 N CB 0.130 38.570 38.487 -0.079 0.000 1.125 56 N HN 0.190 nan 8.380 nan 0.000 0.513 57 V N 0.327 120.218 119.914 -0.038 0.000 2.871 57 V HA 0.096 4.217 4.120 0.001 0.000 0.256 57 V C 1.752 177.833 176.094 -0.022 0.000 1.082 57 V CA 0.915 63.198 62.300 -0.028 0.000 1.105 57 V CB -0.149 31.663 31.823 -0.019 0.000 0.713 57 V HN 0.281 nan 8.190 nan 0.000 0.473 58 L N -0.125 121.088 121.223 -0.016 0.000 2.130 58 L HA 0.479 4.820 4.340 0.001 0.000 0.200 58 L C 1.499 178.361 176.870 -0.013 0.000 1.075 58 L CA 0.935 55.768 54.840 -0.011 0.000 0.768 58 L CB -0.889 41.164 42.059 -0.009 0.000 0.933 58 L HN 0.481 nan 8.230 nan 0.000 0.451 59 G N -0.049 108.740 108.800 -0.018 0.000 2.615 59 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 59 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 59 G C -0.322 174.561 174.900 -0.028 0.000 1.339 59 G CA -0.407 44.675 45.100 -0.031 0.000 0.884 59 G HN 0.093 nan 8.290 nan 0.000 0.559 60 T N 0.633 115.166 114.554 -0.035 0.000 2.837 60 T HA 0.538 4.889 4.350 0.001 0.000 0.285 60 T C 0.055 174.775 174.700 0.032 0.000 0.984 60 T CA 0.025 62.108 62.100 -0.029 0.000 1.049 60 T CB 1.532 70.359 68.868 -0.069 0.000 0.947 60 T HN 1.100 nan 8.240 nan 0.000 0.472 61 L N 4.926 126.181 121.223 0.052 0.000 2.282 61 L HA 0.663 5.004 4.340 0.001 0.000 0.288 61 L C -0.987 175.960 176.870 0.129 0.000 1.033 61 L CA -0.345 54.554 54.840 0.098 0.000 0.807 61 L CB 0.941 43.055 42.059 0.091 0.000 1.209 61 L HN 0.403 nan 8.230 nan 0.000 0.423 62 V N 6.038 126.071 119.914 0.198 0.000 2.384 62 V HA 0.526 4.647 4.120 0.001 0.000 0.287 62 V C -0.372 175.909 176.094 0.311 0.000 1.020 62 V CA -0.627 61.837 62.300 0.273 0.000 0.850 62 V CB 1.725 33.735 31.823 0.312 0.000 0.987 62 V HN 0.564 nan 8.190 nan 0.000 0.436 63 V N 4.760 124.845 119.914 0.285 0.000 2.495 63 V HA 0.509 4.630 4.120 0.001 0.000 0.298 63 V C -0.160 176.131 176.094 0.327 0.000 1.031 63 V CA -0.612 61.835 62.300 0.246 0.000 0.871 63 V CB 1.839 33.756 31.823 0.158 0.000 0.988 63 V HN 0.902 nan 8.190 nan 0.000 0.432 64 E N 4.628 125.018 120.200 0.317 0.000 2.199 64 E HA 0.648 4.999 4.350 0.001 0.000 0.269 64 E C -1.298 175.439 176.600 0.229 0.000 0.899 64 E CA -0.672 55.927 56.400 0.332 0.000 0.772 64 E CB 2.923 32.857 29.700 0.391 0.000 1.155 64 E HN 0.525 nan 8.360 nan 0.000 0.408 65 I N 2.239 122.934 120.570 0.209 0.000 2.468 65 I HA 0.189 4.360 4.170 0.001 0.000 0.284 65 I C -0.354 175.845 176.117 0.136 0.000 1.038 65 I CA -0.459 60.931 61.300 0.150 0.000 1.083 65 I CB 1.747 39.823 38.000 0.125 0.000 1.223 65 I HN 0.438 nan 8.210 nan 0.000 0.443 66 E N 5.319 125.589 120.200 0.117 0.000 2.227 66 E HA 0.670 5.020 4.350 0.001 0.000 0.282 66 E C -0.735 175.909 176.600 0.073 0.000 1.015 66 E CA -0.432 56.026 56.400 0.096 0.000 0.823 66 E CB 1.547 31.301 29.700 0.090 0.000 1.081 66 E HN 0.719 nan 8.360 nan 0.000 0.396 67 A N 2.510 125.367 122.820 0.063 0.000 2.269 67 A HA 0.277 4.598 4.320 0.001 0.000 0.327 67 A C 0.927 178.534 177.584 0.039 0.000 1.112 67 A CA -0.058 52.007 52.037 0.046 0.000 0.865 67 A CB 1.049 20.072 19.000 0.039 0.000 1.227 67 A HN 0.786 nan 8.150 nan 0.000 0.498 68 S N -0.232 115.486 115.700 0.030 0.000 2.500 68 S HA -0.140 4.331 4.470 0.001 0.000 0.239 68 S C 0.734 175.348 174.600 0.024 0.000 0.989 68 S CA 1.447 59.662 58.200 0.025 0.000 0.951 68 S CB -0.352 62.860 63.200 0.020 0.000 0.759 68 S HN 0.799 nan 8.310 nan 0.000 0.523 69 D N -0.139 120.276 120.400 0.025 0.000 2.349 69 D HA 0.265 4.906 4.640 0.001 0.000 0.214 69 D C 1.420 177.737 176.300 0.029 0.000 1.063 69 D CA 0.569 54.583 54.000 0.024 0.000 0.847 69 D CB -0.370 40.442 40.800 0.021 0.000 0.933 69 D HN 0.541 nan 8.370 nan 0.000 0.513 70 G N 0.182 109.002 108.800 0.034 0.000 2.234 70 G HA2 -0.278 3.683 3.960 0.001 0.000 0.235 70 G HA3 -0.278 3.683 3.960 0.001 0.000 0.235 70 G C 0.236 175.166 174.900 0.050 0.000 0.997 70 G CA -0.177 44.947 45.100 0.039 0.000 0.623 70 G HN 0.391 nan 8.290 nan 0.000 0.514 71 N N 0.308 119.038 118.700 0.051 0.000 2.492 71 N HA 0.413 5.154 4.740 0.001 0.000 0.260 71 N C -0.212 175.349 175.510 0.085 0.000 1.215 71 N CA 0.613 53.702 53.050 0.065 0.000 0.923 71 N CB 1.587 40.107 38.487 0.055 0.000 1.092 71 N HN 0.235 nan 8.380 nan 0.000 0.448 72 V N 0.837 120.820 119.914 0.114 0.000 2.482 72 V HA 0.491 4.612 4.120 0.001 0.000 0.295 72 V C 0.604 176.829 176.094 0.218 0.000 1.026 72 V CA -0.961 61.430 62.300 0.152 0.000 0.856 72 V CB 1.620 33.532 31.823 0.148 0.000 1.001 72 V HN 0.718 nan 8.190 nan 0.000 0.424 73 G N 3.506 112.437 108.800 0.218 0.000 2.412 73 G HA2 0.836 4.797 3.960 0.001 0.000 0.318 73 G HA3 0.836 4.797 3.960 0.001 0.000 0.318 73 G C -1.122 173.994 174.900 0.360 0.000 1.146 73 G CA -0.459 44.793 45.100 0.252 0.000 0.882 73 G HN 0.850 nan 8.290 nan 0.000 0.501 74 F N -0.726 119.351 119.950 0.211 0.000 2.711 74 F HA 0.888 5.416 4.527 0.001 0.000 0.313 74 F C -0.500 175.438 175.800 0.229 0.000 1.141 74 F CA -1.159 56.963 58.000 0.203 0.000 0.941 74 F CB 1.433 40.544 39.000 0.185 0.000 1.349 74 F HN 0.958 nan 8.300 nan 0.000 0.464 75 A N 0.802 123.704 122.820 0.137 0.000 2.601 75 A HA 0.790 5.111 4.320 0.001 0.000 0.291 75 A C -1.688 175.957 177.584 0.102 0.000 1.075 75 A CA -0.272 51.701 52.037 -0.107 0.000 0.671 75 A CB 1.337 20.145 19.000 -0.320 0.000 1.277 75 A HN 2.113 nan 8.150 nan 0.000 0.417 76 V N -1.781 118.124 119.914 -0.016 0.000 2.735 76 V HA 0.996 5.117 4.120 0.001 0.000 0.310 76 V C -0.372 175.702 176.094 -0.035 0.000 1.061 76 V CA 0.227 62.577 62.300 0.083 0.000 0.913 76 V CB 1.120 33.069 31.823 0.209 0.000 1.005 76 V HN 1.743 nan 8.190 nan 0.000 0.428 77 T N 1.298 115.847 114.554 -0.009 0.000 2.648 77 T HA 0.510 4.861 4.350 0.001 0.000 0.304 77 T C -0.671 174.065 174.700 0.061 0.000 1.312 77 T CA 0.012 62.139 62.100 0.044 0.000 1.023 77 T CB 1.890 70.820 68.868 0.103 0.000 1.612 77 T HN 0.992 nan 8.240 nan 0.000 0.487 78 T N 1.050 115.719 114.554 0.192 0.000 2.771 78 T HA 0.598 4.949 4.350 0.001 0.000 0.291 78 T C 0.880 175.614 174.700 0.056 0.000 0.954 78 T CA 0.479 62.641 62.100 0.103 0.000 1.045 78 T CB 0.968 69.917 68.868 0.134 0.000 0.917 78 T HN 0.959 nan 8.240 nan 0.000 0.484 79 G N 1.263 110.082 108.800 0.032 0.000 3.953 79 G HA2 0.409 4.370 3.960 0.001 0.000 0.175 79 G HA3 0.409 4.370 3.960 0.001 0.000 0.175 79 G C 0.646 175.571 174.900 0.043 0.000 0.875 79 G CA 0.427 45.548 45.100 0.034 0.000 0.908 79 G HN 1.230 nan 8.290 nan 0.000 0.367 80 G N 0.775 109.604 108.800 0.048 0.000 2.574 80 G HA2 -0.350 3.611 3.960 0.001 0.000 0.282 80 G HA3 -0.350 3.611 3.960 0.001 0.000 0.282 80 G C 0.776 175.730 174.900 0.090 0.000 1.257 80 G CA 1.331 46.462 45.100 0.051 0.000 0.956 80 G HN 0.900 nan 8.290 nan 0.000 0.560 81 E N 1.186 121.435 120.200 0.081 0.000 2.058 81 E HA -0.112 4.238 4.350 0.001 0.000 0.194 81 E C 0.504 177.254 176.600 0.250 0.000 0.997 81 E CA 1.910 58.405 56.400 0.158 0.000 0.801 81 E CB -0.435 29.316 29.700 0.085 0.000 0.746 81 E HN 0.402 nan 8.360 nan 0.000 0.450 82 P HA -0.156 nan 4.420 nan 0.000 0.218 82 P C 0.952 178.343 177.300 0.151 0.000 1.149 82 P CA 1.798 64.969 63.100 0.118 0.000 0.817 82 P CB 0.012 31.736 31.700 0.040 0.000 0.785 83 A N 0.617 123.515 122.820 0.131 0.000 1.929 83 A HA 0.041 4.362 4.320 0.001 0.000 0.216 83 A C 2.509 180.180 177.584 0.145 0.000 1.176 83 A CA 1.804 53.913 52.037 0.120 0.000 0.628 83 A CB -1.466 17.588 19.000 0.089 0.000 0.816 83 A HN 0.212 nan 8.150 nan 0.000 0.444 84 A N -1.364 121.569 122.820 0.189 0.000 1.933 84 A HA -0.144 4.177 4.320 0.001 0.000 0.218 84 A C 2.102 179.800 177.584 0.191 0.000 1.175 84 A CA 1.646 53.811 52.037 0.212 0.000 0.628 84 A CB -0.828 18.345 19.000 0.289 0.000 0.814 84 A HN 0.738 nan 8.150 nan 0.000 0.444 85 Y N 0.475 120.775 120.300 -0.000 0.000 2.128 85 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 85 Y C 2.027 177.798 175.900 -0.214 0.000 1.154 85 Y CA 2.032 59.847 58.100 -0.475 0.000 1.149 85 Y CB -0.223 37.926 38.460 -0.518 0.000 0.976 85 Y HN 0.276 nan 8.280 nan 0.000 0.505 86 I N -1.072 119.603 120.570 0.175 0.000 2.226 86 I HA -0.315 3.855 4.170 0.001 0.000 0.245 86 I C 2.209 178.349 176.117 0.040 0.000 1.100 86 I CA 1.221 62.627 61.300 0.176 0.000 1.374 86 I CB -0.546 37.586 38.000 0.220 0.000 1.057 86 I HN 0.121 nan 8.210 nan 0.000 0.413 87 V N 0.663 120.582 119.914 0.008 0.000 2.261 87 V HA -0.247 3.874 4.120 0.001 0.000 0.246 87 V C 2.491 178.502 176.094 -0.138 0.000 1.047 87 V CA 1.852 64.131 62.300 -0.036 0.000 1.015 87 V CB -0.625 31.197 31.823 -0.001 0.000 0.642 87 V HN 0.409 nan 8.190 nan 0.000 0.446 88 E N 0.022 120.125 120.200 -0.160 0.000 2.046 88 E HA -0.155 4.196 4.350 0.001 0.000 0.190 88 E C 2.239 178.620 176.600 -0.365 0.000 0.982 88 E CA 0.886 57.139 56.400 -0.245 0.000 0.800 88 E CB -0.200 29.480 29.700 -0.032 0.000 0.756 88 E HN 0.460 nan 8.360 nan 0.000 0.449 89 K N -0.313 119.846 120.400 -0.402 0.000 2.243 89 K HA -0.022 4.299 4.320 0.001 0.000 0.201 89 K C 1.807 178.280 176.600 -0.212 0.000 1.051 89 K CA 0.881 56.920 56.287 -0.413 0.000 0.970 89 K CB -0.022 31.982 32.500 -0.827 0.000 0.755 89 K HN 0.383 nan 8.250 nan 0.000 0.465 90 H N -0.684 118.249 119.070 -0.228 0.000 2.274 90 H HA 0.227 4.784 4.556 0.001 0.000 0.271 90 H C 1.915 177.177 175.328 -0.109 0.000 0.945 90 H CA 0.039 56.029 56.048 -0.096 0.000 1.200 90 H CB 0.515 30.326 29.762 0.081 0.000 1.456 90 H HN -0.133 nan 8.280 nan 0.000 0.536 91 L N 0.827 122.057 121.223 0.012 0.000 2.141 91 L HA -0.015 4.326 4.340 0.001 0.000 0.209 91 L C 2.865 179.683 176.870 -0.086 0.000 1.094 91 L CA 0.779 55.634 54.840 0.025 0.000 0.763 91 L CB -0.507 41.557 42.059 0.008 0.000 0.908 91 L HN 0.347 nan 8.230 nan 0.000 0.437 92 A N 1.712 124.396 122.820 -0.228 0.000 1.927 92 A HA -0.278 4.043 4.320 0.001 0.000 0.220 92 A C 2.419 179.851 177.584 -0.252 0.000 1.185 92 A CA 2.277 54.141 52.037 -0.289 0.000 0.639 92 A CB -0.723 17.863 19.000 -0.691 0.000 0.820 92 A HN 0.597 nan 8.150 nan 0.000 0.451 93 R N -1.641 118.618 120.500 -0.402 0.000 2.159 93 R HA -0.122 4.219 4.340 0.001 0.000 0.237 93 R C 1.349 177.405 176.300 -0.407 0.000 1.131 93 R CA 1.923 57.760 56.100 -0.438 0.000 0.982 93 R CB -0.672 29.274 30.300 -0.589 0.000 0.868 93 R HN 0.445 nan 8.270 nan 0.000 0.453 94 F N 0.327 120.264 119.950 -0.021 0.000 2.615 94 F HA 0.160 4.688 4.527 0.002 0.000 0.297 94 F C 1.534 177.330 175.800 -0.008 0.000 1.124 94 F CA 0.233 58.225 58.000 -0.013 0.000 1.451 94 F CB -0.012 38.968 39.000 -0.033 0.000 1.103 94 F HN -0.071 nan 8.300 nan 0.000 0.569 95 L N -0.686 120.599 121.223 0.104 0.000 2.269 95 L HA 0.099 4.440 4.340 0.001 0.000 0.200 95 L C 0.699 177.597 176.870 0.047 0.000 1.069 95 L CA 0.503 55.388 54.840 0.075 0.000 0.804 95 L CB -0.595 41.501 42.059 0.061 0.000 0.987 95 L HN -0.133 nan 8.230 nan 0.000 0.468 96 E N 0.494 120.711 120.200 0.028 0.000 2.406 96 E HA 0.286 4.637 4.350 0.001 0.000 0.258 96 E C 0.951 177.568 176.600 0.029 0.000 1.043 96 E CA 0.749 57.170 56.400 0.035 0.000 0.929 96 E CB 0.011 29.740 29.700 0.047 0.000 0.969 96 E HN 0.407 nan 8.360 nan 0.000 0.462 97 G N 2.247 111.066 108.800 0.031 0.000 2.232 97 G HA2 -0.269 3.692 3.960 0.001 0.000 0.226 97 G HA3 -0.269 3.692 3.960 0.001 0.000 0.226 97 G C 0.398 175.315 174.900 0.028 0.000 0.996 97 G CA -0.185 44.931 45.100 0.026 0.000 0.626 97 G HN 0.787 nan 8.290 nan 0.000 0.509 98 A N 0.484 123.324 122.820 0.034 0.000 2.332 98 A HA 0.766 5.087 4.320 0.001 0.000 0.258 98 A C 0.731 178.327 177.584 0.020 0.000 1.087 98 A CA -0.053 52.003 52.037 0.032 0.000 0.802 98 A CB 0.332 19.358 19.000 0.044 0.000 1.042 98 A HN 0.514 nan 8.150 nan 0.000 0.489 99 R N 0.298 120.805 120.500 0.012 0.000 2.539 99 R HA 0.218 4.559 4.340 0.001 0.000 0.275 99 R C 1.361 177.653 176.300 -0.014 0.000 1.077 99 R CA 0.229 56.329 56.100 0.000 0.000 1.097 99 R CB 0.699 30.997 30.300 -0.003 0.000 1.018 99 R HN 0.677 nan 8.270 nan 0.000 0.483 100 V N -0.801 119.099 119.914 -0.022 0.000 2.867 100 V HA -0.195 3.926 4.120 0.001 0.000 0.260 100 V C 1.633 177.670 176.094 -0.094 0.000 1.099 100 V CA 2.000 64.272 62.300 -0.046 0.000 1.122 100 V CB -0.946 30.854 31.823 -0.039 0.000 0.708 100 V HN 0.952 nan 8.190 nan 0.000 0.490 101 T N -3.341 111.165 114.554 -0.080 0.000 3.129 101 T HA 0.076 4.427 4.350 0.001 0.000 0.251 101 T C 0.706 175.348 174.700 -0.096 0.000 1.117 101 T CA 0.447 62.482 62.100 -0.108 0.000 1.034 101 T CB -0.434 68.392 68.868 -0.070 0.000 0.968 101 T HN 0.457 nan 8.240 nan 0.000 0.526 102 D N 1.461 121.825 120.400 -0.060 0.000 2.977 102 D HA 0.274 4.915 4.640 0.001 0.000 0.241 102 D C 1.330 177.611 176.300 -0.030 0.000 1.206 102 D CA -0.138 53.846 54.000 -0.027 0.000 0.902 102 D CB -0.351 40.452 40.800 0.005 0.000 1.131 102 D HN 0.478 nan 8.370 nan 0.000 0.447 103 I N 0.234 120.748 120.570 -0.093 0.000 2.142 103 I HA -0.240 3.931 4.170 0.001 0.000 0.240 103 I C 2.290 178.440 176.117 0.055 0.000 1.078 103 I CA 0.938 62.182 61.300 -0.095 0.000 1.343 103 I CB -0.015 37.796 38.000 -0.316 0.000 1.046 103 I HN 0.019 nan 8.210 nan 0.000 0.405 104 E N 0.613 120.846 120.200 0.056 0.000 2.077 104 E HA -0.231 4.120 4.350 0.001 0.000 0.193 104 E C 2.234 178.923 176.600 0.149 0.000 0.989 104 E CA 0.907 57.372 56.400 0.108 0.000 0.800 104 E CB -0.375 29.363 29.700 0.063 0.000 0.746 104 E HN 0.353 nan 8.360 nan 0.000 0.452 105 R N 1.081 121.639 120.500 0.098 0.000 2.075 105 R HA -0.052 4.289 4.340 0.001 0.000 0.232 105 R C 2.385 178.740 176.300 0.092 0.000 1.126 105 R CA 0.749 56.904 56.100 0.091 0.000 0.963 105 R CB -0.502 29.836 30.300 0.063 0.000 0.858 105 R HN 0.184 nan 8.270 nan 0.000 0.435 106 I N -0.597 120.029 120.570 0.094 0.000 2.226 106 I HA -0.285 3.886 4.170 0.001 0.000 0.245 106 I C 2.274 178.432 176.117 0.068 0.000 1.100 106 I CA 1.369 62.717 61.300 0.080 0.000 1.374 106 I CB -0.412 37.639 38.000 0.084 0.000 1.057 106 I HN 0.285 nan 8.210 nan 0.000 0.413 107 W N 2.105 123.407 121.300 0.003 0.000 2.355 107 W HA -0.288 4.373 4.660 0.001 0.000 0.309 107 W C 2.266 178.795 176.519 0.016 0.000 1.206 107 W CA 2.241 59.599 57.345 0.022 0.000 1.284 107 W CB -0.273 29.215 29.460 0.046 0.000 1.145 107 W HN 0.204 nan 8.180 nan 0.000 0.502 108 D N -0.342 120.275 120.400 0.361 0.000 2.123 108 D HA -0.200 4.441 4.640 0.001 0.000 0.196 108 D C 1.278 177.551 176.300 -0.045 0.000 0.992 108 D CA 1.306 55.460 54.000 0.257 0.000 0.833 108 D CB -0.167 40.770 40.800 0.228 0.000 0.954 108 D HN 0.226 nan 8.370 nan 0.000 0.455 112 N N 0.502 119.081 118.700 -0.202 0.000 2.309 112 N HA -0.064 4.677 4.740 0.001 0.000 0.182 112 N C 1.323 176.734 175.510 -0.165 0.000 1.018 112 N CA 1.670 54.630 53.050 -0.151 0.000 0.876 112 N CB 0.026 38.500 38.487 -0.022 0.000 0.972 112 N HN 0.320 nan 8.380 nan 0.000 0.434 113 S N -0.630 114.927 115.700 -0.239 0.000 2.496 113 S HA -0.025 4.446 4.470 0.001 0.000 0.224 113 S C 1.757 176.424 174.600 0.112 0.000 0.996 113 S CA 0.965 59.154 58.200 -0.019 0.000 0.927 113 S CB 0.137 63.293 63.200 -0.074 0.000 0.774 113 S HN 0.581 nan 8.310 nan 0.000 0.524 114 T N -0.871 113.530 114.554 -0.254 0.000 3.054 114 T HA 0.348 4.699 4.350 0.001 0.000 0.255 114 T C 1.481 175.801 174.700 -0.634 0.000 1.035 114 T CA -0.219 61.584 62.100 -0.495 0.000 0.941 114 T CB -0.286 68.120 68.868 -0.770 0.000 1.026 114 T HN 0.147 nan 8.240 nan 0.000 0.533 115 L N 0.931 121.888 121.223 -0.445 0.000 2.051 115 L HA -0.148 4.193 4.340 0.001 0.000 0.214 115 L C 2.544 179.297 176.870 -0.195 0.000 1.076 115 L CA 2.159 56.755 54.840 -0.407 0.000 0.758 115 L CB -0.548 41.338 42.059 -0.288 0.000 0.890 115 L HN 0.594 nan 8.230 nan 0.000 0.433 116 Y N -0.780 119.492 120.300 -0.047 0.000 2.569 116 Y HA -0.251 4.300 4.550 0.002 0.000 0.293 116 Y C 1.494 177.484 175.900 0.150 0.000 1.144 116 Y CA 0.978 59.111 58.100 0.055 0.000 1.321 116 Y CB -0.959 37.557 38.460 0.094 0.000 0.982 116 Y HN 0.400 nan 8.280 nan 0.000 0.558 117 Y N -1.959 118.049 120.300 -0.486 0.000 2.830 117 Y HA 0.749 5.300 4.550 0.002 0.000 0.255 117 Y C 0.897 176.645 175.900 -0.254 0.000 1.130 117 Y CA -0.595 57.303 58.100 -0.336 0.000 1.217 117 Y CB 0.104 38.307 38.460 -0.428 0.000 1.296 117 Y HN 0.031 nan 8.280 nan 0.000 0.571 118 G N 0.839 109.359 108.800 -0.467 0.000 3.069 118 G HA2 0.413 4.374 3.960 0.001 0.000 0.205 118 G HA3 0.413 4.374 3.960 0.001 0.000 0.205 118 G C 0.457 175.232 174.900 -0.209 0.000 1.771 118 G CA -0.028 44.817 45.100 -0.425 0.000 0.739 118 G HN 0.162 nan 8.290 nan 0.000 0.784 119 R N -1.350 119.034 120.500 -0.193 0.000 2.248 119 R HA -0.162 4.179 4.340 0.001 0.000 0.154 119 R C 0.238 176.622 176.300 0.139 0.000 0.881 119 R CA 2.145 58.264 56.100 0.031 0.000 1.877 119 R CB -1.212 29.094 30.300 0.010 0.000 0.832 119 R HN 0.472 nan 8.270 nan 0.000 0.665 120 K N -1.063 119.369 120.400 0.052 0.000 2.466 120 K HA 0.540 4.861 4.320 0.001 0.000 0.277 120 K C 0.157 176.768 176.600 0.019 0.000 1.039 120 K CA -0.432 55.897 56.287 0.070 0.000 0.904 120 K CB 2.115 34.652 32.500 0.062 0.000 1.506 120 K HN 0.295 nan 8.250 nan 0.000 0.441 121 G N 0.676 109.489 108.800 0.021 0.000 2.562 121 G HA2 -0.310 3.651 3.960 0.001 0.000 0.250 121 G HA3 -0.310 3.651 3.960 0.001 0.000 0.250 121 G C 0.497 175.383 174.900 -0.023 0.000 1.269 121 G CA 0.318 45.407 45.100 -0.018 0.000 0.919 121 G HN 0.540 nan 8.290 nan 0.000 0.574 122 L N 0.312 121.511 121.223 -0.039 0.000 2.064 122 L HA -0.123 4.218 4.340 0.001 0.000 0.216 122 L C 3.141 180.000 176.870 -0.018 0.000 1.077 122 L CA 3.181 58.004 54.840 -0.027 0.000 0.766 122 L CB -0.795 41.256 42.059 -0.013 0.000 0.890 122 L HN 0.797 nan 8.230 nan 0.000 0.435 123 V N -0.333 119.545 119.914 -0.059 0.000 2.407 123 V HA -0.283 3.838 4.120 0.001 0.000 0.248 123 V C 2.420 178.462 176.094 -0.087 0.000 1.055 123 V CA 1.635 63.855 62.300 -0.133 0.000 1.049 123 V CB -0.589 31.022 31.823 -0.353 0.000 0.662 123 V HN 0.405 nan 8.190 nan 0.000 0.455 124 I N 0.395 120.955 120.570 -0.017 0.000 2.439 124 I HA -0.115 4.056 4.170 0.001 0.000 0.251 124 I C 2.194 178.380 176.117 0.115 0.000 1.139 124 I CA 1.240 62.586 61.300 0.076 0.000 1.438 124 I CB -1.628 36.468 38.000 0.159 0.000 1.085 124 I HN 0.348 nan 8.210 nan 0.000 0.427 125 N N 0.967 119.729 118.700 0.104 0.000 2.104 125 N HA -0.143 4.598 4.740 0.001 0.000 0.190 125 N C 1.842 177.422 175.510 0.117 0.000 1.024 125 N CA 1.938 55.080 53.050 0.155 0.000 0.853 125 N CB -0.504 38.032 38.487 0.083 0.000 1.008 125 N HN 0.292 nan 8.380 nan 0.000 0.424 126 T N 0.987 115.578 114.554 0.061 0.000 2.708 126 T HA -0.020 4.330 4.350 0.001 0.000 0.266 126 T C 2.002 176.721 174.700 0.033 0.000 1.037 126 T CA 0.823 62.950 62.100 0.045 0.000 1.146 126 T CB -0.301 68.581 68.868 0.024 0.000 0.865 126 T HN 0.181 nan 8.240 nan 0.000 0.435 127 I N 1.303 121.873 120.570 0.000 0.000 2.264 127 I HA -0.187 3.984 4.170 0.001 0.000 0.248 127 I C 2.666 178.833 176.117 0.083 0.000 1.111 127 I CA 0.975 62.258 61.300 -0.028 0.000 1.382 127 I CB -0.397 37.523 38.000 -0.133 0.000 1.060 127 I HN 0.202 nan 8.210 nan 0.000 0.418 128 S N 0.780 116.562 115.700 0.136 0.000 2.368 128 S HA -0.130 4.341 4.470 0.001 0.000 0.225 128 S C 2.136 176.796 174.600 0.101 0.000 1.030 128 S CA 1.381 59.680 58.200 0.166 0.000 0.999 128 S CB -0.753 62.547 63.200 0.167 0.000 0.844 128 S HN 0.646 nan 8.310 nan 0.000 0.459 129 G N 1.393 110.237 108.800 0.072 0.000 2.418 129 G HA2 -0.149 3.812 3.960 0.001 0.000 0.217 129 G HA3 -0.149 3.812 3.960 0.001 0.000 0.217 129 G C 1.447 176.380 174.900 0.055 0.000 1.158 129 G CA 0.994 46.110 45.100 0.027 0.000 0.771 129 G HN 0.429 nan 8.290 nan 0.000 0.545 130 V N 1.154 121.116 119.914 0.080 0.000 2.343 130 V HA -0.170 3.950 4.120 0.001 0.000 0.247 130 V C 2.421 178.597 176.094 0.137 0.000 1.051 130 V CA 2.293 64.649 62.300 0.094 0.000 1.036 130 V CB -0.496 31.367 31.823 0.066 0.000 0.654 130 V HN 0.457 nan 8.190 nan 0.000 0.451 131 D N -0.046 120.466 120.400 0.186 0.000 2.123 131 D HA -0.170 4.471 4.640 0.001 0.000 0.196 131 D C 2.069 178.592 176.300 0.372 0.000 0.992 131 D CA 1.345 55.528 54.000 0.305 0.000 0.833 131 D CB -0.136 40.921 40.800 0.428 0.000 0.954 131 D HN 0.366 nan 8.370 nan 0.000 0.455 132 L N -0.012 121.357 121.223 0.244 0.000 2.046 132 L HA -0.123 4.218 4.340 0.001 0.000 0.208 132 L C 2.570 179.615 176.870 0.292 0.000 1.077 132 L CA 1.133 56.106 54.840 0.221 0.000 0.747 132 L CB -0.509 41.417 42.059 -0.221 0.000 0.896 132 L HN 0.104 nan 8.230 nan 0.000 0.432 133 A N -0.133 122.786 122.820 0.166 0.000 1.972 133 A HA -0.143 4.178 4.320 0.001 0.000 0.219 133 A C 2.244 179.942 177.584 0.190 0.000 1.169 133 A CA 1.254 53.396 52.037 0.175 0.000 0.635 133 A CB -0.558 18.538 19.000 0.160 0.000 0.810 133 A HN 0.360 nan 8.150 nan 0.000 0.446 134 L N -2.772 118.549 121.223 0.163 0.000 2.056 134 L HA -0.187 4.154 4.340 0.001 0.000 0.207 134 L C 2.539 179.409 176.870 -0.001 0.000 1.078 134 L CA 1.200 56.068 54.840 0.046 0.000 0.749 134 L CB -0.427 41.613 42.059 -0.031 0.000 0.901 134 L HN 0.607 nan 8.230 nan 0.000 0.433 135 W N 0.383 121.769 121.300 0.144 0.000 2.402 135 W HA -0.192 4.470 4.660 0.002 0.000 0.286 135 W C 2.349 178.860 176.519 -0.013 0.000 1.221 135 W CA 1.211 58.606 57.345 0.084 0.000 1.257 135 W CB -0.208 29.349 29.460 0.163 0.000 1.120 135 W HN 0.216 nan 8.180 nan 0.000 0.551 136 D N 0.078 120.680 120.400 0.337 0.000 2.117 136 D HA -0.199 4.442 4.640 0.001 0.000 0.197 136 D C 2.049 178.401 176.300 0.087 0.000 0.987 136 D CA 1.270 55.377 54.000 0.179 0.000 0.829 136 D CB -0.301 40.677 40.800 0.297 0.000 0.961 136 D HN -0.013 nan 8.370 nan 0.000 0.460 137 L N 0.064 121.349 121.223 0.103 0.000 2.046 137 L HA -0.032 4.309 4.340 0.001 0.000 0.208 137 L C 2.083 178.962 176.870 0.014 0.000 1.077 137 L CA 1.402 56.282 54.840 0.066 0.000 0.747 137 L CB -0.947 41.151 42.059 0.065 0.000 0.896 137 L HN 0.202 nan 8.230 nan 0.000 0.432 138 L N -0.162 121.045 121.223 -0.027 0.000 2.083 138 L HA 0.009 4.350 4.340 0.001 0.000 0.209 138 L C 2.308 179.161 176.870 -0.029 0.000 1.083 138 L CA 1.991 56.793 54.840 -0.064 0.000 0.752 138 L CB -1.377 40.576 42.059 -0.176 0.000 0.899 138 L HN 0.324 nan 8.230 nan 0.000 0.433 139 G N -0.979 107.807 108.800 -0.023 0.000 2.408 139 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 139 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 139 G C 1.700 176.578 174.900 -0.037 0.000 1.150 139 G CA 0.721 45.787 45.100 -0.056 0.000 0.776 139 G HN 0.395 nan 8.290 nan 0.000 0.542 140 K N -0.121 120.272 120.400 -0.010 0.000 2.097 140 K HA 0.049 4.370 4.320 0.001 0.000 0.205 140 K C 2.530 179.137 176.600 0.013 0.000 1.050 140 K CA 0.724 57.019 56.287 0.014 0.000 0.938 140 K CB -0.122 32.407 32.500 0.049 0.000 0.718 140 K HN 0.198 nan 8.250 nan 0.000 0.442 141 V N 1.454 121.371 119.914 0.006 0.000 2.358 141 V HA -0.186 3.935 4.120 0.001 0.000 0.246 141 V C 2.061 178.154 176.094 -0.002 0.000 1.047 141 V CA 1.533 63.835 62.300 0.004 0.000 1.035 141 V CB -0.345 31.475 31.823 -0.005 0.000 0.658 141 V HN 0.254 nan 8.190 nan 0.000 0.452 142 R N -0.165 120.330 120.500 -0.010 0.000 2.275 142 R HA 0.125 4.466 4.340 0.001 0.000 0.199 142 R C 0.642 176.936 176.300 -0.010 0.000 0.989 142 R CA 0.002 56.096 56.100 -0.011 0.000 1.016 142 R CB -0.189 30.103 30.300 -0.013 0.000 0.918 142 R HN 0.474 nan 8.270 nan 0.000 0.473 143 R N 1.120 121.614 120.500 -0.010 0.000 3.422 143 R HA -0.165 4.176 4.340 0.001 0.000 0.267 143 R C -0.880 175.408 176.300 -0.020 0.000 1.074 143 R CA 0.862 56.958 56.100 -0.007 0.000 0.718 143 R CB -1.595 28.706 30.300 0.002 0.000 1.157 143 R HN 0.400 nan 8.270 nan 0.000 0.440 144 E N -0.085 120.090 120.200 -0.042 0.000 2.383 144 E HA 0.370 4.721 4.350 0.001 0.000 0.275 144 E C -2.603 173.918 176.600 -0.132 0.000 0.918 144 E CA -2.321 54.036 56.400 -0.072 0.000 0.764 144 E CB 2.767 32.426 29.700 -0.068 0.000 1.252 144 E HN -0.113 nan 8.360 nan 0.000 0.449 145 P HA -0.013 nan 4.420 nan 0.000 0.271 145 P C 0.930 178.012 177.300 -0.364 0.000 1.218 145 P CA -0.104 62.835 63.100 -0.268 0.000 0.780 145 P CB 1.080 32.603 31.700 -0.296 0.000 0.901 146 V N 2.641 122.284 119.914 -0.451 0.000 2.380 146 V HA -0.290 3.830 4.120 0.001 0.000 0.251 146 V C 2.471 178.490 176.094 -0.124 0.000 1.063 146 V CA 2.729 64.802 62.300 -0.379 0.000 1.055 146 V CB -2.063 29.243 31.823 -0.860 0.000 0.657 146 V HN 0.748 nan 8.190 nan 0.000 0.455 147 H N 0.003 119.178 119.070 0.175 0.000 2.457 147 H HA -0.171 4.386 4.556 0.002 0.000 0.297 147 H C 2.000 177.316 175.328 -0.019 0.000 1.092 147 H CA 1.702 57.777 56.048 0.045 0.000 1.309 147 H CB -0.620 29.154 29.762 0.021 0.000 1.382 147 H HN 0.467 nan 8.280 nan 0.000 0.535 148 Q N 0.120 119.835 119.800 -0.141 0.000 2.378 148 Q HA 0.102 4.443 4.340 0.001 0.000 0.205 148 Q C 1.708 177.699 176.000 -0.015 0.000 0.954 148 Q CA 0.647 56.432 55.803 -0.031 0.000 0.901 148 Q CB 0.247 28.932 28.738 -0.089 0.000 0.981 148 Q HN 0.556 nan 8.270 nan 0.000 0.483 149 L N -0.180 121.032 121.223 -0.017 0.000 2.446 149 L HA 0.053 4.394 4.340 0.001 0.000 0.219 149 L C 1.037 177.933 176.870 0.045 0.000 1.116 149 L CA 0.328 55.210 54.840 0.070 0.000 0.844 149 L CB 0.239 42.419 42.059 0.201 0.000 0.970 149 L HN 0.189 nan 8.230 nan 0.000 0.457 150 L N 0.113 121.299 121.223 -0.062 0.000 3.034 150 L HA 0.347 4.688 4.340 0.001 0.000 0.245 150 L C 1.125 177.917 176.870 -0.131 0.000 1.295 150 L CA 0.123 54.870 54.840 -0.154 0.000 1.068 150 L CB -0.002 41.881 42.059 -0.294 0.000 1.426 150 L HN 0.347 nan 8.230 nan 0.000 0.531 151 G N -0.585 108.177 108.800 -0.063 0.000 2.176 151 G HA2 -0.151 3.809 3.960 0.001 0.000 0.253 151 G HA3 -0.151 3.809 3.960 0.001 0.000 0.253 151 G C 0.629 175.502 174.900 -0.044 0.000 0.979 151 G CA -0.013 45.051 45.100 -0.060 0.000 0.641 151 G HN 0.955 nan 8.290 nan 0.000 0.530 152 G N -0.838 107.953 108.800 -0.015 0.000 2.705 152 G HA2 0.446 4.407 3.960 0.001 0.000 0.686 152 G HA3 0.446 4.407 3.960 0.001 0.000 0.686 152 G C 0.328 175.209 174.900 -0.032 0.000 1.285 152 G CA 0.793 45.907 45.100 0.024 0.000 0.800 152 G HN 2.191 nan 8.290 nan 0.000 0.611 153 A N -0.128 122.662 122.820 -0.051 0.000 2.445 153 A HA 0.678 4.998 4.320 0.001 0.000 0.242 153 A C 1.688 179.205 177.584 -0.112 0.000 1.075 153 A CA 0.797 52.748 52.037 -0.143 0.000 0.777 153 A CB 0.789 19.637 19.000 -0.253 0.000 1.013 153 A HN 2.358 nan 8.150 nan 0.000 0.493 154 V N -0.815 119.027 119.914 -0.120 0.000 3.528 154 V HA 0.368 4.489 4.120 0.001 0.000 0.294 154 V C 0.360 176.399 176.094 -0.092 0.000 1.404 154 V CA 0.276 62.519 62.300 -0.096 0.000 1.065 154 V CB -1.443 30.323 31.823 -0.095 0.000 0.904 154 V HN 0.932 nan 8.190 nan 0.000 0.435 155 R N -1.399 119.035 120.500 -0.111 0.000 2.740 155 R HA 0.555 4.896 4.340 0.001 0.000 0.273 155 R C -0.863 175.364 176.300 -0.122 0.000 0.998 155 R CA -0.589 55.448 56.100 -0.104 0.000 0.900 155 R CB 1.320 31.557 30.300 -0.105 0.000 1.223 155 R HN -0.037 nan 8.270 nan 0.000 0.466 156 D N 0.690 121.028 120.400 -0.104 0.000 2.317 156 D HA -0.048 4.593 4.640 0.001 0.000 0.211 156 D C -0.137 176.089 176.300 -0.124 0.000 0.966 156 D CA 1.180 55.116 54.000 -0.107 0.000 0.876 156 D CB 0.486 41.237 40.800 -0.081 0.000 0.927 156 D HN 0.653 nan 8.370 nan 0.000 0.519 157 E N -0.485 119.634 120.200 -0.134 0.000 2.407 157 E HA 0.428 4.779 4.350 0.001 0.000 0.279 157 E C -1.217 175.268 176.600 -0.191 0.000 1.012 157 E CA -0.794 55.514 56.400 -0.153 0.000 0.800 157 E CB 1.173 30.796 29.700 -0.128 0.000 1.276 157 E HN -0.165 nan 8.360 nan 0.000 0.452 158 L N 1.584 122.653 121.223 -0.258 0.000 2.343 158 L HA 0.386 4.727 4.340 0.001 0.000 0.275 158 L C -0.116 176.460 176.870 -0.490 0.000 1.056 158 L CA -0.828 53.760 54.840 -0.419 0.000 0.804 158 L CB 1.461 43.146 42.059 -0.622 0.000 1.203 158 L HN 0.612 nan 8.230 nan 0.000 0.440 159 Q N 1.813 121.339 119.800 -0.456 0.000 2.337 159 Q HA 0.625 4.966 4.340 0.001 0.000 0.266 159 Q C -1.652 174.171 176.000 -0.294 0.000 1.023 159 Q CA -0.652 54.984 55.803 -0.278 0.000 0.829 159 Q CB 2.100 30.779 28.738 -0.100 0.000 1.306 159 Q HN 0.330 nan 8.270 nan 0.000 0.449 160 F N 1.591 121.613 119.950 0.120 0.000 2.538 160 F HA 0.490 5.017 4.527 0.001 0.000 0.325 160 F C -0.480 175.586 175.800 0.443 0.000 1.066 160 F CA -1.099 57.073 58.000 0.288 0.000 0.946 160 F CB 1.338 40.539 39.000 0.336 0.000 1.199 160 F HN 0.599 nan 8.300 nan 0.000 0.473 161 Y N 0.600 121.240 120.300 0.567 0.000 2.457 161 Y HA 0.890 5.441 4.550 0.002 0.000 0.333 161 Y C -0.857 175.182 175.900 0.232 0.000 1.119 161 Y CA -1.934 56.357 58.100 0.319 0.000 1.143 161 Y CB 0.890 39.465 38.460 0.192 0.000 1.230 161 Y HN 0.704 nan 8.280 nan 0.000 0.469 162 A N 1.960 124.797 122.820 0.029 0.000 2.317 162 A HA 0.677 4.997 4.320 0.001 0.000 0.327 162 A C -0.688 176.843 177.584 -0.089 0.000 1.178 162 A CA -0.768 51.060 52.037 -0.348 0.000 0.817 162 A CB 0.593 19.016 19.000 -0.962 0.000 1.189 162 A HN 0.811 nan 8.150 nan 0.000 0.489 163 T N 1.392 115.872 114.554 -0.123 0.000 2.749 163 T HA 0.719 5.070 4.350 0.001 0.000 0.287 163 T C 0.306 174.852 174.700 -0.258 0.000 0.970 163 T CA 0.433 62.513 62.100 -0.034 0.000 0.980 163 T CB 1.183 70.113 68.868 0.105 0.000 0.924 163 T HN 1.629 nan 8.240 nan 0.000 0.456 164 G N 0.820 109.291 108.800 -0.548 0.000 2.313 164 G HA2 0.476 4.437 3.960 0.001 0.000 0.296 164 G HA3 0.476 4.437 3.960 0.001 0.000 0.296 164 G C 0.165 174.501 174.900 -0.939 0.000 1.356 164 G CA -0.195 44.034 45.100 -1.452 0.000 0.833 164 G HN 0.641 nan 8.290 nan 0.000 0.552 165 A N -0.597 121.614 122.820 -1.015 0.000 2.235 165 A HA 0.355 4.676 4.320 0.001 0.000 0.208 165 A C 1.094 178.554 177.584 -0.207 0.000 1.172 165 A CA 0.833 52.676 52.037 -0.323 0.000 0.786 165 A CB -0.114 18.866 19.000 -0.035 0.000 0.804 165 A HN 0.285 nan 8.150 nan 0.000 0.479 166 R N -0.181 120.155 120.500 -0.274 0.000 2.748 166 R HA 0.207 4.548 4.340 0.001 0.000 0.283 166 R C -2.395 173.836 176.300 -0.114 0.000 1.507 166 R CA -1.934 54.074 56.100 -0.153 0.000 1.666 166 R CB 0.315 30.536 30.300 -0.131 0.000 1.237 166 R HN 0.263 nan 8.270 nan 0.000 0.633 167 P HA -0.175 nan 4.420 nan 0.000 0.220 167 P C 0.559 177.855 177.300 -0.007 0.000 1.148 167 P CA 1.177 64.304 63.100 0.044 0.000 0.803 167 P CB 0.384 32.140 31.700 0.093 0.000 0.782 168 D N 0.717 121.067 120.400 -0.084 0.000 2.117 168 D HA -0.157 4.484 4.640 0.001 0.000 0.198 168 D C 2.123 178.329 176.300 -0.156 0.000 0.982 168 D CA 1.022 54.925 54.000 -0.162 0.000 0.828 168 D CB -1.289 39.443 40.800 -0.114 0.000 0.967 168 D HN 0.228 nan 8.370 nan 0.000 0.464 169 L N 0.291 121.460 121.223 -0.090 0.000 2.156 169 L HA 0.036 4.377 4.340 0.001 0.000 0.208 169 L C 2.782 179.650 176.870 -0.002 0.000 1.095 169 L CA 0.901 55.710 54.840 -0.053 0.000 0.770 169 L CB -0.506 41.530 42.059 -0.037 0.000 0.914 169 L HN 0.062 nan 8.230 nan 0.000 0.439 170 A N -0.167 122.665 122.820 0.020 0.000 1.933 170 A HA -0.273 4.048 4.320 0.001 0.000 0.218 170 A C 2.297 180.027 177.584 0.245 0.000 1.175 170 A CA 1.748 53.893 52.037 0.180 0.000 0.628 170 A CB -0.510 18.556 19.000 0.110 0.000 0.814 170 A HN 0.492 nan 8.150 nan 0.000 0.444 171 Q N 0.135 119.868 119.800 -0.112 0.000 2.084 171 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 171 Q C 0.634 176.539 176.000 -0.159 0.000 0.978 171 Q CA 1.131 56.688 55.803 -0.410 0.000 0.844 171 Q CB -0.100 27.983 28.738 -1.093 0.000 0.898 171 Q HN 0.632 nan 8.270 nan 0.000 0.426 175 F N 1.490 121.493 119.950 0.089 0.000 2.496 175 F HA 0.342 4.869 4.527 0.001 0.000 0.344 175 F C 2.121 178.014 175.800 0.155 0.000 1.155 175 F CA 0.017 58.102 58.000 0.142 0.000 1.302 175 F CB 0.835 39.957 39.000 0.204 0.000 1.159 175 F HN 0.116 nan 8.300 nan 0.000 0.595 176 I N -0.818 119.848 120.570 0.160 0.000 3.251 176 I HA 0.391 4.561 4.170 0.001 0.000 0.277 176 I C 0.708 176.459 176.117 -0.609 0.000 1.268 176 I CA 0.578 61.727 61.300 -0.252 0.000 1.449 176 I CB -0.510 37.185 38.000 -0.509 0.000 1.083 176 I HN 0.478 nan 8.210 nan 0.000 0.464 177 G N -0.031 108.533 108.800 -0.392 0.000 2.559 177 G HA2 0.554 4.514 3.960 0.001 0.000 0.291 177 G HA3 0.554 4.514 3.960 0.001 0.000 0.291 177 G C -1.443 173.284 174.900 -0.289 0.000 1.424 177 G CA -0.265 44.322 45.100 -0.855 0.000 0.786 177 G HN 0.239 nan 8.290 nan 0.000 0.485 178 G N -0.104 108.511 108.800 -0.307 0.000 2.737 178 G HA2 0.569 4.530 3.960 0.001 0.000 0.290 178 G HA3 0.569 4.530 3.960 0.001 0.000 0.290 178 G C -0.551 174.278 174.900 -0.118 0.000 1.482 178 G CA -0.385 44.721 45.100 0.011 0.000 1.017 178 G HN 0.595 nan 8.290 nan 0.000 0.529 182 L N 2.472 123.689 121.223 -0.010 0.000 2.367 182 L HA 0.273 4.614 4.340 0.001 0.000 0.275 182 L C 1.092 177.831 176.870 -0.219 0.000 1.129 182 L CA 0.436 55.158 54.840 -0.196 0.000 0.839 182 L CB 0.354 42.270 42.059 -0.238 0.000 1.133 182 L HN 0.469 nan 8.230 nan 0.000 0.453 183 H N 2.664 121.712 119.070 -0.036 0.000 2.648 183 H HA 0.297 4.854 4.556 0.001 0.000 0.265 183 H C -0.599 174.469 175.328 -0.434 0.000 0.961 183 H CA -0.056 55.874 56.048 -0.198 0.000 1.185 183 H CB 0.278 29.823 29.762 -0.362 0.000 1.449 183 H HN 0.490 nan 8.280 nan 0.000 0.523 184 H N -0.343 118.860 119.070 0.222 0.000 2.667 184 H HA 0.429 4.986 4.556 0.002 0.000 0.353 184 H C 0.194 175.540 175.328 0.031 0.000 1.072 184 H CA -0.563 55.587 56.048 0.170 0.000 1.214 184 H CB 1.947 31.802 29.762 0.155 0.000 1.600 184 H HN 0.334 nan 8.280 nan 0.000 0.527 185 G N 1.451 110.273 108.800 0.036 0.000 2.705 185 G HA2 0.284 4.245 3.960 0.001 0.000 0.299 185 G HA3 0.284 4.245 3.960 0.001 0.000 0.299 185 G C -1.729 172.876 174.900 -0.493 0.000 1.315 185 G CA -1.733 43.215 45.100 -0.252 0.000 1.045 185 G HN 0.226 nan 8.290 nan 0.000 0.517 186 P HA -0.173 nan 4.420 nan 0.000 0.217 186 P C 2.236 179.414 177.300 -0.205 0.000 1.151 186 P CA 2.310 65.049 63.100 -0.603 0.000 0.849 186 P CB 0.114 31.574 31.700 -0.400 0.000 0.787 187 S N -0.829 114.778 115.700 -0.154 0.000 2.469 187 S HA -0.139 4.332 4.470 0.001 0.000 0.238 187 S C 1.561 176.150 174.600 -0.018 0.000 0.998 187 S CA 0.984 59.138 58.200 -0.077 0.000 0.957 187 S CB -1.009 62.137 63.200 -0.089 0.000 0.764 187 S HN 0.263 nan 8.310 nan 0.000 0.514 188 E N 1.271 121.473 120.200 0.003 0.000 2.489 188 E HA 0.343 4.693 4.350 0.001 0.000 0.193 188 E C 1.368 178.006 176.600 0.064 0.000 1.057 188 E CA 0.049 56.485 56.400 0.059 0.000 0.866 188 E CB -0.104 29.676 29.700 0.133 0.000 0.916 188 E HN 0.649 nan 8.360 nan 0.000 0.500 189 G N 2.009 110.853 108.800 0.074 0.000 2.578 189 G HA2 -0.374 3.587 3.960 0.001 0.000 0.284 189 G HA3 -0.374 3.587 3.960 0.001 0.000 0.284 189 G C 0.690 175.681 174.900 0.152 0.000 1.283 189 G CA 0.219 45.387 45.100 0.113 0.000 0.944 189 G HN 0.254 nan 8.290 nan 0.000 0.558 190 E N -0.034 120.223 120.200 0.095 0.000 2.153 190 E HA -0.087 4.264 4.350 0.001 0.000 0.194 190 E C 2.293 178.920 176.600 0.045 0.000 0.988 190 E CA 1.611 58.052 56.400 0.068 0.000 0.811 190 E CB -0.263 29.460 29.700 0.039 0.000 0.746 190 E HN 0.591 nan 8.360 nan 0.000 0.466 191 E N 0.529 120.744 120.200 0.025 0.000 2.077 191 E HA -0.094 4.257 4.350 0.001 0.000 0.193 191 E C 2.071 178.636 176.600 -0.059 0.000 0.989 191 E CA 1.404 57.794 56.400 -0.016 0.000 0.800 191 E CB -0.646 29.037 29.700 -0.027 0.000 0.746 191 E HN 0.274 nan 8.360 nan 0.000 0.452 192 G N 0.410 109.190 108.800 -0.034 0.000 2.408 192 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 192 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 192 G C 1.488 176.438 174.900 0.082 0.000 1.150 192 G CA 0.812 45.863 45.100 -0.081 0.000 0.776 192 G HN 0.335 nan 8.290 nan 0.000 0.542 193 L N 0.694 122.016 121.223 0.165 0.000 2.046 193 L HA 0.070 4.410 4.340 0.001 0.000 0.208 193 L C 2.674 179.590 176.870 0.077 0.000 1.077 193 L CA 1.903 56.825 54.840 0.135 0.000 0.747 193 L CB -0.492 41.574 42.059 0.012 0.000 0.896 193 L HN 0.123 nan 8.230 nan 0.000 0.432 194 K N -0.511 119.917 120.400 0.046 0.000 2.097 194 K HA -0.178 4.143 4.320 0.001 0.000 0.206 194 K C 2.090 178.720 176.600 0.050 0.000 1.049 194 K CA 1.576 57.890 56.287 0.045 0.000 0.933 194 K CB -0.159 32.356 32.500 0.024 0.000 0.717 194 K HN 0.362 nan 8.250 nan 0.000 0.442 195 K N 0.631 121.035 120.400 0.007 0.000 2.057 195 K HA -0.085 4.235 4.320 0.001 0.000 0.207 195 K C 1.870 178.575 176.600 0.174 0.000 1.049 195 K CA 1.081 57.380 56.287 0.018 0.000 0.931 195 K CB -0.108 32.263 32.500 -0.214 0.000 0.714 195 K HN 0.119 nan 8.250 nan 0.000 0.440 196 N N 1.266 120.105 118.700 0.231 0.000 2.084 196 N HA -0.134 4.607 4.740 0.001 0.000 0.190 196 N C 1.873 177.569 175.510 0.310 0.000 1.030 196 N CA 1.145 54.365 53.050 0.283 0.000 0.849 196 N CB -0.271 38.298 38.487 0.137 0.000 1.012 196 N HN 0.140 nan 8.380 nan 0.000 0.423 197 L N 1.205 122.556 121.223 0.214 0.000 2.201 197 L HA -0.078 4.263 4.340 0.001 0.000 0.212 197 L C 2.057 178.943 176.870 0.028 0.000 1.105 197 L CA 0.889 55.841 54.840 0.188 0.000 0.775 197 L CB -0.290 41.901 42.059 0.219 0.000 0.913 197 L HN 0.187 nan 8.230 nan 0.000 0.440 198 E N 0.131 120.365 120.200 0.056 0.000 2.072 198 E HA -0.207 4.143 4.350 0.001 0.000 0.191 198 E C 2.028 178.613 176.600 -0.025 0.000 0.985 198 E CA 0.974 57.373 56.400 -0.001 0.000 0.801 198 E CB 0.027 29.747 29.700 0.032 0.000 0.750 198 E HN 0.513 nan 8.360 nan 0.000 0.452 199 E N 0.568 120.810 120.200 0.071 0.000 2.077 199 E HA -0.192 4.159 4.350 0.001 0.000 0.193 199 E C 2.133 178.714 176.600 -0.033 0.000 0.989 199 E CA 0.622 57.070 56.400 0.081 0.000 0.800 199 E CB -0.033 29.808 29.700 0.236 0.000 0.746 199 E HN 0.094 nan 8.360 nan 0.000 0.452 200 L N 1.007 122.187 121.223 -0.072 0.000 2.056 200 L HA -0.089 4.252 4.340 0.001 0.000 0.207 200 L C 2.203 178.804 176.870 -0.448 0.000 1.078 200 L CA 2.018 56.688 54.840 -0.284 0.000 0.749 200 L CB -0.690 41.228 42.059 -0.235 0.000 0.901 200 L HN 0.012 nan 8.230 nan 0.000 0.433 201 A N -1.182 121.219 122.820 -0.699 0.000 1.883 201 A HA -0.113 4.208 4.320 0.001 0.000 0.217 201 A C 1.578 178.992 177.584 -0.283 0.000 1.186 201 A CA 1.762 53.322 52.037 -0.795 0.000 0.624 201 A CB -1.327 17.288 19.000 -0.642 0.000 0.822 201 A HN 0.520 nan 8.150 nan 0.000 0.444 205 E N 0.780 120.979 120.200 -0.002 0.000 2.110 205 E HA -0.111 4.240 4.350 0.001 0.000 0.193 205 E C 1.363 177.955 176.600 -0.013 0.000 0.988 205 E CA 1.396 57.800 56.400 0.006 0.000 0.804 205 E CB 0.098 29.798 29.700 0.000 0.000 0.745 205 E HN 0.350 nan 8.360 nan 0.000 0.458 206 R N -0.094 120.386 120.500 -0.033 0.000 2.090 206 R HA -0.067 4.273 4.340 0.001 0.000 0.228 206 R C 2.464 178.714 176.300 -0.083 0.000 1.110 206 R CA 1.334 57.400 56.100 -0.056 0.000 0.973 206 R CB -0.016 30.243 30.300 -0.068 0.000 0.869 206 R HN 0.242 nan 8.270 nan 0.000 0.440 207 V N -2.755 117.112 119.914 -0.078 0.000 3.506 207 V HA 0.384 4.505 4.120 0.001 0.000 0.263 207 V C 0.776 176.848 176.094 -0.037 0.000 1.203 207 V CA 0.419 62.641 62.300 -0.130 0.000 1.133 207 V CB -0.237 31.493 31.823 -0.155 0.000 0.802 207 V HN 0.422 nan 8.190 nan 0.000 0.459 208 G N 1.213 110.019 108.800 0.009 0.000 2.712 208 G HA2 -0.107 3.854 3.960 0.001 0.000 0.683 208 G HA3 -0.107 3.854 3.960 0.001 0.000 0.683 208 G C -1.487 173.459 174.900 0.078 0.000 1.320 208 G CA -0.116 45.005 45.100 0.034 0.000 0.847 208 G HN 0.312 nan 8.290 nan 0.000 0.553 209 P HA 0.106 nan 4.420 nan 0.000 0.236 209 P C 0.476 177.837 177.300 0.102 0.000 1.177 209 P CA 1.442 64.591 63.100 0.083 0.000 0.773 209 P CB 0.271 32.007 31.700 0.060 0.000 0.878 210 D N -0.767 119.702 120.400 0.114 0.000 2.323 210 D HA 0.014 4.655 4.640 0.001 0.000 0.218 210 D C 0.671 177.076 176.300 0.174 0.000 0.973 210 D CA -0.107 53.970 54.000 0.128 0.000 0.890 210 D CB -0.668 40.182 40.800 0.083 0.000 1.011 210 D HN 0.088 nan 8.370 nan 0.000 0.499 211 F N 2.245 122.197 119.950 0.005 0.000 2.623 211 F HA -0.060 4.468 4.527 0.001 0.000 0.383 211 F C 0.064 175.921 175.800 0.094 0.000 1.077 211 F CA -0.711 57.274 58.000 -0.025 0.000 1.268 211 F CB 0.342 39.321 39.000 -0.035 0.000 1.053 211 F HN -0.116 nan 8.300 nan 0.000 0.571 212 W N 8.118 128.984 121.300 -0.724 0.000 2.253 212 W HA 0.407 5.067 4.660 0.001 0.000 0.322 212 W C -0.419 175.685 176.519 -0.691 0.000 1.342 212 W CA -0.782 56.183 57.345 -0.634 0.000 1.218 212 W CB -0.129 28.929 29.460 -0.669 0.000 1.205 212 W HN 0.371 nan 8.180 nan 0.000 0.551 216 D N 3.103 123.781 120.400 0.464 0.000 2.256 216 D HA 0.360 5.001 4.640 0.001 0.000 0.240 216 D C -0.093 176.420 176.300 0.354 0.000 1.062 216 D CA -0.268 53.988 54.000 0.427 0.000 0.832 216 D CB 1.788 42.851 40.800 0.439 0.000 1.135 216 D HN 0.643 nan 8.370 nan 0.000 0.484 217 C N 3.664 123.162 119.300 0.329 0.000 3.038 217 C HA 0.178 4.639 4.460 0.001 0.000 0.279 217 C C 0.657 175.852 174.990 0.342 0.000 1.276 217 C CA -0.885 58.283 59.018 0.250 0.000 1.697 217 C CB -2.029 25.814 27.740 0.172 0.000 2.032 217 C HN 0.835 nan 8.230 nan 0.000 0.636 221 L N 2.110 123.307 121.223 -0.044 0.000 2.347 221 L HA 0.827 5.168 4.340 0.001 0.000 0.268 221 L C -0.349 176.486 176.870 -0.058 0.000 1.019 221 L CA -1.016 53.789 54.840 -0.059 0.000 0.806 221 L CB 0.650 42.743 42.059 0.057 0.000 1.339 221 L HN 0.339 nan 8.230 nan 0.000 0.463 222 D N -1.216 119.175 120.400 -0.016 0.000 2.374 222 D HA 0.327 4.968 4.640 0.001 0.000 0.239 222 D C 0.495 176.805 176.300 0.016 0.000 0.991 222 D CA -0.811 53.179 54.000 -0.017 0.000 0.960 222 D CB 1.465 42.259 40.800 -0.010 0.000 1.284 222 D HN 0.262 nan 8.370 nan 0.000 0.512 223 L N 0.943 122.160 121.223 -0.010 0.000 2.013 223 L HA -0.175 4.166 4.340 0.001 0.000 0.212 223 L C 1.637 178.524 176.870 0.029 0.000 1.073 223 L CA 2.026 56.862 54.840 -0.005 0.000 0.753 223 L CB -1.023 41.032 42.059 -0.007 0.000 0.890 223 L HN 0.731 nan 8.230 nan 0.000 0.432 224 N N -1.616 117.110 118.700 0.043 0.000 2.084 224 N HA -0.297 4.444 4.740 0.001 0.000 0.190 224 N C 2.172 177.720 175.510 0.063 0.000 1.030 224 N CA 1.717 54.794 53.050 0.045 0.000 0.849 224 N CB -0.334 38.179 38.487 0.044 0.000 1.012 224 N HN 0.543 nan 8.380 nan 0.000 0.423 225 Y N 1.408 121.701 120.300 -0.011 0.000 2.181 225 Y HA -0.139 4.412 4.550 0.002 0.000 0.288 225 Y C 2.489 178.387 175.900 -0.002 0.000 1.146 225 Y CA 1.955 60.052 58.100 -0.005 0.000 1.164 225 Y CB -0.442 38.013 38.460 -0.009 0.000 0.982 225 Y HN 0.185 nan 8.280 nan 0.000 0.515 226 A N -0.911 122.016 122.820 0.177 0.000 1.933 226 A HA -0.186 4.135 4.320 0.001 0.000 0.218 226 A C 2.207 179.806 177.584 0.025 0.000 1.175 226 A CA 2.204 54.302 52.037 0.102 0.000 0.628 226 A CB -1.286 17.753 19.000 0.066 0.000 0.814 226 A HN 0.493 nan 8.150 nan 0.000 0.444 227 T N -0.287 114.273 114.554 0.011 0.000 2.708 227 T HA -0.142 4.208 4.350 0.001 0.000 0.266 227 T C 2.060 176.743 174.700 -0.030 0.000 1.037 227 T CA 1.640 63.741 62.100 0.001 0.000 1.146 227 T CB -0.225 68.645 68.868 0.004 0.000 0.865 227 T HN 0.530 nan 8.240 nan 0.000 0.435 228 R N 0.177 120.626 120.500 -0.085 0.000 2.090 228 R HA 0.073 4.414 4.340 0.001 0.000 0.228 228 R C 2.374 178.587 176.300 -0.146 0.000 1.110 228 R CA 0.709 56.733 56.100 -0.125 0.000 0.973 228 R CB -0.479 29.710 30.300 -0.185 0.000 0.869 228 R HN 0.233 nan 8.270 nan 0.000 0.440 229 L N 0.884 121.984 121.223 -0.204 0.000 2.027 229 L HA -0.062 4.279 4.340 0.001 0.000 0.206 229 L C 2.245 179.128 176.870 0.022 0.000 1.074 229 L CA 1.929 56.692 54.840 -0.128 0.000 0.745 229 L CB -0.660 41.329 42.059 -0.117 0.000 0.898 229 L HN 0.100 nan 8.230 nan 0.000 0.433 230 A N -0.369 122.474 122.820 0.039 0.000 1.902 230 A HA -0.259 4.062 4.320 0.001 0.000 0.217 230 A C 2.542 180.162 177.584 0.060 0.000 1.181 230 A CA 1.883 53.969 52.037 0.082 0.000 0.623 230 A CB -0.663 18.384 19.000 0.078 0.000 0.818 230 A HN 0.511 nan 8.150 nan 0.000 0.443 231 R N -0.696 119.819 120.500 0.025 0.000 2.081 231 R HA -0.091 4.250 4.340 0.001 0.000 0.235 231 R C 2.214 178.522 176.300 0.013 0.000 1.131 231 R CA 1.530 57.637 56.100 0.012 0.000 0.960 231 R CB -0.649 29.648 30.300 -0.005 0.000 0.856 231 R HN 0.460 nan 8.270 nan 0.000 0.436 232 G N -0.619 108.195 108.800 0.023 0.000 2.443 232 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 232 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 232 G C 1.312 176.280 174.900 0.113 0.000 1.131 232 G CA 0.594 45.723 45.100 0.049 0.000 0.775 232 G HN 0.455 nan 8.290 nan 0.000 0.547 233 A N 0.216 123.130 122.820 0.158 0.000 2.169 233 A HA 0.233 4.554 4.320 0.001 0.000 0.212 233 A C 2.160 179.823 177.584 0.131 0.000 1.153 233 A CA 1.065 53.254 52.037 0.253 0.000 0.756 233 A CB -0.302 18.867 19.000 0.282 0.000 0.813 233 A HN 0.346 nan 8.150 nan 0.000 0.471 234 R N 0.482 121.005 120.500 0.039 0.000 2.096 234 R HA -0.194 4.147 4.340 0.001 0.000 0.235 234 R C 1.965 178.215 176.300 -0.085 0.000 1.127 234 R CA 1.779 57.874 56.100 -0.008 0.000 0.968 234 R CB -0.263 30.028 30.300 -0.015 0.000 0.861 234 R HN 0.677 nan 8.270 nan 0.000 0.440 235 E N -0.494 119.575 120.200 -0.218 0.000 2.267 235 E HA -0.207 4.144 4.350 0.001 0.000 0.197 235 E C 0.281 176.576 176.600 -0.509 0.000 0.998 235 E CA 1.089 57.238 56.400 -0.419 0.000 0.830 235 E CB 0.060 29.380 29.700 -0.633 0.000 0.751 235 E HN 0.520 nan 8.360 nan 0.000 0.491 236 Y N -0.783 119.527 120.300 0.016 0.000 2.555 236 Y HA 0.355 4.906 4.550 0.001 0.000 0.259 236 Y C 1.188 177.084 175.900 -0.006 0.000 1.179 236 Y CA 0.021 58.125 58.100 0.007 0.000 1.230 236 Y CB 0.837 39.299 38.460 0.004 0.000 1.146 236 Y HN 0.108 nan 8.280 nan 0.000 0.526 237 G N 1.207 110.047 108.800 0.067 0.000 2.305 237 G HA2 -0.337 3.624 3.960 0.001 0.000 0.287 237 G HA3 -0.337 3.624 3.960 0.001 0.000 0.287 237 G C 0.005 174.914 174.900 0.014 0.000 1.036 237 G CA 0.049 45.171 45.100 0.036 0.000 0.887 237 G HN 0.331 nan 8.290 nan 0.000 0.505 238 L N -0.302 120.939 121.223 0.031 0.000 2.540 238 L HA 0.300 4.641 4.340 0.001 0.000 0.276 238 L C 1.763 178.595 176.870 -0.064 0.000 1.212 238 L CA 1.398 56.223 54.840 -0.026 0.000 0.893 238 L CB 0.500 42.587 42.059 0.047 0.000 1.138 238 L HN 0.316 nan 8.230 nan 0.000 0.491 239 K N 4.241 124.531 120.400 -0.182 0.000 2.031 239 K HA -0.021 4.300 4.320 0.001 0.000 0.205 239 K C -0.535 176.069 176.600 0.007 0.000 1.049 239 K CA 1.307 57.462 56.287 -0.220 0.000 0.939 239 K CB 0.157 32.340 32.500 -0.528 0.000 0.717 239 K HN 0.750 nan 8.250 nan 0.000 0.438 240 W N -0.546 120.688 121.300 -0.110 0.000 3.146 240 W HA 0.430 5.091 4.660 0.002 0.000 0.319 240 W C -2.000 174.551 176.519 0.053 0.000 1.258 240 W CA -1.423 55.900 57.345 -0.037 0.000 1.189 240 W CB 0.288 29.709 29.460 -0.065 0.000 1.412 240 W HN -0.173 nan 8.180 nan 0.000 0.567 241 I N 2.728 123.604 120.570 0.509 0.000 2.389 241 I HA 0.406 4.576 4.170 0.001 0.000 0.288 241 I C -0.633 175.768 176.117 0.474 0.000 0.999 241 I CA -0.627 60.938 61.300 0.443 0.000 1.129 241 I CB 1.385 39.560 38.000 0.293 0.000 1.288 241 I HN 0.704 nan 8.210 nan 0.000 0.444 242 E N 6.306 126.820 120.200 0.523 0.000 2.191 242 E HA 0.166 4.517 4.350 0.001 0.000 0.278 242 E C -0.139 176.670 176.600 0.349 0.000 0.972 242 E CA -0.465 56.186 56.400 0.419 0.000 0.804 242 E CB 1.095 31.123 29.700 0.547 0.000 1.110 242 E HN 0.682 nan 8.360 nan 0.000 0.394 243 E N 2.418 122.809 120.200 0.319 0.000 2.199 243 E HA -0.328 4.023 4.350 0.001 0.000 0.208 243 E C 0.283 177.043 176.600 0.267 0.000 1.310 243 E CA 0.361 56.959 56.400 0.331 0.000 0.709 243 E CB -0.980 28.876 29.700 0.260 0.000 1.127 243 E HN 0.658 nan 8.360 nan 0.000 0.354 244 A N 0.830 123.789 122.820 0.231 0.000 1.933 244 A HA 0.026 4.347 4.320 0.001 0.000 0.218 244 A C 0.986 178.535 177.584 -0.058 0.000 1.175 244 A CA 1.175 53.257 52.037 0.076 0.000 0.628 244 A CB 0.136 19.155 19.000 0.033 0.000 0.814 244 A HN 0.347 nan 8.150 nan 0.000 0.444 245 L N -1.899 119.186 121.223 -0.229 0.000 2.301 245 L HA 0.440 4.781 4.340 0.001 0.000 0.264 245 L C -2.708 174.114 176.870 -0.080 0.000 1.016 245 L CA -2.678 51.992 54.840 -0.285 0.000 0.821 245 L CB 1.389 43.073 42.059 -0.624 0.000 1.346 245 L HN -0.171 nan 8.230 nan 0.000 0.429 246 P HA 0.087 nan 4.420 nan 0.000 0.269 246 P C -2.119 175.172 177.300 -0.015 0.000 1.209 246 P CA -0.862 62.186 63.100 -0.087 0.000 0.776 246 P CB 0.140 31.774 31.700 -0.109 0.000 0.876 247 P HA -0.188 nan 4.420 nan 0.000 0.217 247 P C 0.670 177.731 177.300 -0.398 0.000 1.148 247 P CA 1.500 64.499 63.100 -0.169 0.000 0.828 247 P CB -0.036 31.573 31.700 -0.152 0.000 0.783 248 D N -1.265 118.975 120.400 -0.268 0.000 2.347 248 D HA -0.082 4.559 4.640 0.001 0.000 0.215 248 D C 0.376 176.537 176.300 -0.232 0.000 0.976 248 D CA 0.804 54.640 54.000 -0.274 0.000 0.884 248 D CB -0.256 40.525 40.800 -0.032 0.000 0.915 248 D HN 0.163 nan 8.370 nan 0.000 0.526 249 D N -0.023 120.296 120.400 -0.134 0.000 2.741 249 D HA -0.015 4.626 4.640 0.001 0.000 0.233 249 D C 0.812 177.145 176.300 0.055 0.000 1.160 249 D CA -0.330 53.733 54.000 0.106 0.000 1.003 249 D CB -0.399 40.444 40.800 0.072 0.000 1.064 249 D HN 0.063 nan 8.370 nan 0.000 0.503 250 Y N 0.170 120.404 120.300 -0.111 0.000 2.165 250 Y HA -0.188 4.363 4.550 0.001 0.000 0.286 250 Y C 2.159 177.986 175.900 -0.121 0.000 1.155 250 Y CA 1.086 59.029 58.100 -0.261 0.000 1.164 250 Y CB -0.358 37.684 38.460 -0.697 0.000 0.978 250 Y HN 0.458 nan 8.280 nan 0.000 0.513 251 W N -0.367 121.066 121.300 0.222 0.000 2.358 251 W HA -0.126 4.535 4.660 0.001 0.000 0.303 251 W C 2.478 179.050 176.519 0.088 0.000 1.208 251 W CA 1.166 58.590 57.345 0.132 0.000 1.274 251 W CB -1.335 28.179 29.460 0.090 0.000 1.138 251 W HN 0.192 nan 8.180 nan 0.000 0.515 252 G N -0.438 108.553 108.800 0.317 0.000 2.418 252 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 252 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 252 G C 1.283 176.205 174.900 0.037 0.000 1.158 252 G CA 0.772 45.939 45.100 0.111 0.000 0.771 252 G HN 0.213 nan 8.290 nan 0.000 0.545 253 Y N 1.198 121.533 120.300 0.059 0.000 2.181 253 Y HA -0.052 4.499 4.550 0.001 0.000 0.288 253 Y C 3.199 179.126 175.900 0.044 0.000 1.146 253 Y CA 1.089 59.207 58.100 0.030 0.000 1.164 253 Y CB -0.101 38.352 38.460 -0.013 0.000 0.982 253 Y HN 0.273 nan 8.280 nan 0.000 0.515 254 A N 0.165 123.115 122.820 0.217 0.000 1.902 254 A HA -0.228 4.093 4.320 0.001 0.000 0.217 254 A C 2.008 179.664 177.584 0.120 0.000 1.181 254 A CA 1.975 54.100 52.037 0.146 0.000 0.623 254 A CB -0.591 18.485 19.000 0.126 0.000 0.818 254 A HN 0.543 nan 8.150 nan 0.000 0.443 255 E N -0.786 119.486 120.200 0.120 0.000 2.072 255 E HA -0.168 4.183 4.350 0.001 0.000 0.191 255 E C 1.966 178.606 176.600 0.068 0.000 0.985 255 E CA 1.143 57.596 56.400 0.088 0.000 0.801 255 E CB -0.281 29.468 29.700 0.083 0.000 0.750 255 E HN 0.502 nan 8.360 nan 0.000 0.452 256 L N 1.589 122.848 121.223 0.061 0.000 2.046 256 L HA -0.173 4.168 4.340 0.001 0.000 0.208 256 L C 2.389 179.303 176.870 0.074 0.000 1.077 256 L CA 1.754 56.624 54.840 0.050 0.000 0.747 256 L CB -0.327 41.742 42.059 0.016 0.000 0.896 256 L HN -0.071 nan 8.230 nan 0.000 0.432 257 R N -0.730 119.829 120.500 0.099 0.000 2.120 257 R HA -0.136 4.205 4.340 0.001 0.000 0.234 257 R C 2.368 178.708 176.300 0.067 0.000 1.123 257 R CA 1.370 57.524 56.100 0.090 0.000 0.975 257 R CB -0.113 30.244 30.300 0.095 0.000 0.866 257 R HN 0.399 nan 8.270 nan 0.000 0.446 258 R N -0.298 120.240 120.500 0.064 0.000 2.115 258 R HA -0.023 4.318 4.340 0.001 0.000 0.226 258 R C 1.345 177.671 176.300 0.043 0.000 1.100 258 R CA 1.472 57.603 56.100 0.051 0.000 0.980 258 R CB -0.185 30.146 30.300 0.053 0.000 0.875 258 R HN 0.466 nan 8.270 nan 0.000 0.445 259 N N 0.352 119.078 118.700 0.044 0.000 2.336 259 N HA 0.104 4.844 4.740 0.001 0.000 0.189 259 N C -0.133 175.399 175.510 0.036 0.000 1.113 259 N CA -0.470 52.601 53.050 0.035 0.000 0.858 259 N CB 0.575 39.081 38.487 0.031 0.000 0.970 259 N HN 0.091 nan 8.380 nan 0.000 0.471 260 A N 2.186 125.033 122.820 0.045 0.000 2.386 260 A HA 0.307 4.628 4.320 0.001 0.000 0.248 260 A C -2.091 175.517 177.584 0.040 0.000 1.082 260 A CA -0.936 51.130 52.037 0.049 0.000 0.789 260 A CB -0.113 18.926 19.000 0.065 0.000 1.025 260 A HN -0.015 nan 8.150 nan 0.000 0.490 261 P HA 0.119 nan 4.420 nan 0.000 0.265 261 P C -0.147 177.169 177.300 0.027 0.000 1.193 261 P CA 0.366 63.482 63.100 0.027 0.000 0.765 261 P CB 0.193 31.909 31.700 0.027 0.000 0.823 262 T N 3.056 117.622 114.554 0.020 0.000 2.822 262 T HA 0.367 4.718 4.350 0.001 0.000 0.288 262 T C 0.688 175.397 174.700 0.016 0.000 0.991 262 T CA 1.297 63.408 62.100 0.018 0.000 1.176 262 T CB -0.632 68.244 68.868 0.014 0.000 0.951 262 T HN 0.874 nan 8.240 nan 0.000 0.526 267 T N 0.516 115.046 114.554 -0.040 0.000 2.916 267 T HA 0.959 5.310 4.350 0.001 0.000 0.292 267 T C -0.532 174.126 174.700 -0.069 0.000 1.055 267 T CA -0.243 61.745 62.100 -0.185 0.000 1.009 267 T CB 2.550 71.096 68.868 -0.537 0.000 1.118 267 T HN 1.154 nan 8.240 nan 0.000 0.497 268 T N -1.469 113.004 114.554 -0.136 0.000 2.663 268 T HA 0.586 4.937 4.350 0.001 0.000 0.305 268 T C 0.373 175.023 174.700 -0.084 0.000 1.660 268 T CA 0.574 62.593 62.100 -0.134 0.000 0.976 268 T CB 0.706 69.276 68.868 -0.496 0.000 1.705 268 T HN 2.089 nan 8.240 nan 0.000 0.494 269 G N 0.973 109.741 108.800 -0.052 0.000 2.367 269 G HA2 -0.156 3.805 3.960 0.001 0.000 0.181 269 G HA3 -0.156 3.805 3.960 0.001 0.000 0.181 269 G C 0.731 175.724 174.900 0.154 0.000 1.000 269 G CA 1.116 46.265 45.100 0.083 0.000 0.693 269 G HN 1.030 nan 8.290 nan 0.000 0.480 270 E N 0.167 120.404 120.200 0.063 0.000 2.265 270 E HA -0.092 4.259 4.350 0.001 0.000 0.196 270 E C 1.240 177.787 176.600 -0.088 0.000 0.996 270 E CA 1.281 57.673 56.400 -0.013 0.000 0.832 270 E CB -0.330 29.316 29.700 -0.089 0.000 0.756 270 E HN 0.677 nan 8.360 nan 0.000 0.491 271 H N -0.188 118.946 119.070 0.108 0.000 2.488 271 H HA 0.325 4.882 4.556 0.001 0.000 0.294 271 H C -0.700 174.605 175.328 -0.038 0.000 1.088 271 H CA -0.392 55.666 56.048 0.016 0.000 1.086 271 H CB 0.526 30.207 29.762 -0.134 0.000 1.569 271 H HN 0.064 nan 8.280 nan 0.000 0.548 272 E N 1.245 121.461 120.200 0.026 0.000 2.244 272 E HA 0.746 5.096 4.350 0.001 0.000 0.266 272 E C -1.100 175.497 176.600 -0.005 0.000 0.914 272 E CA -1.114 55.177 56.400 -0.182 0.000 0.794 272 E CB 1.352 30.638 29.700 -0.690 0.000 1.210 272 E HN 0.264 nan 8.360 nan 0.000 0.414 273 A N 2.091 124.911 122.820 0.001 0.000 2.539 273 A HA 0.841 5.162 4.320 0.001 0.000 0.296 273 A C -0.524 177.204 177.584 0.240 0.000 1.073 273 A CA -0.023 52.151 52.037 0.228 0.000 0.700 273 A CB 0.799 19.934 19.000 0.225 0.000 1.296 273 A HN 1.494 nan 8.150 nan 0.000 0.405 274 T N -1.272 113.462 114.554 0.300 0.000 0.541 274 T HA -0.217 4.133 4.350 0.001 0.000 0.774 274 T C 0.873 175.610 174.700 0.061 0.000 0.992 274 T CA 1.267 63.461 62.100 0.156 0.000 4.077 274 T CB -0.728 68.300 68.868 0.267 0.000 2.303 274 T HN 2.173 nan 8.240 nan 0.000 0.398 275 R N 0.569 120.849 120.500 -0.367 0.000 2.127 275 R HA -0.082 4.258 4.340 0.001 0.000 0.238 275 R C 1.986 178.060 176.300 -0.377 0.000 1.134 275 R CA 1.765 57.578 56.100 -0.480 0.000 0.975 275 R CB -0.475 29.303 30.300 -0.870 0.000 0.865 275 R HN 0.789 nan 8.270 nan 0.000 0.447 276 W N 0.971 122.278 121.300 0.012 0.000 2.476 276 W HA 0.171 4.832 4.660 0.001 0.000 0.281 276 W C 2.340 178.814 176.519 -0.075 0.000 1.230 276 W CA 0.799 58.129 57.345 -0.025 0.000 1.287 276 W CB -0.760 28.693 29.460 -0.012 0.000 1.108 276 W HN 0.357 nan 8.180 nan 0.000 0.567 277 G N 0.156 109.026 108.800 0.117 0.000 2.402 277 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 277 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 277 G C 1.289 176.031 174.900 -0.263 0.000 1.162 277 G CA 0.523 45.570 45.100 -0.088 0.000 0.777 277 G HN 0.096 nan 8.290 nan 0.000 0.539 278 F N 0.836 120.754 119.950 -0.053 0.000 2.325 278 F HA 0.234 4.762 4.527 0.001 0.000 0.299 278 F C 1.865 177.565 175.800 -0.166 0.000 1.090 278 F CA 0.212 58.144 58.000 -0.113 0.000 1.392 278 F CB -0.056 38.858 39.000 -0.144 0.000 1.053 278 F HN -0.031 nan 8.300 nan 0.000 0.521 282 L N 0.732 121.857 121.223 -0.163 0.000 2.044 282 L HA -0.015 4.326 4.340 0.001 0.000 0.205 282 L C 1.194 177.971 176.870 -0.155 0.000 1.075 282 L CA 1.180 55.867 54.840 -0.255 0.000 0.747 282 L CB -0.163 41.514 42.059 -0.636 0.000 0.903 282 L HN 0.232 nan 8.230 nan 0.000 0.435 286 C N 0.399 119.712 119.300 0.021 0.000 2.468 286 C HA 0.371 4.832 4.460 0.001 0.000 0.277 286 C C 1.574 176.578 174.990 0.025 0.000 1.400 286 C CA 0.624 59.671 59.018 0.048 0.000 1.770 286 C CB -1.612 26.117 27.740 -0.018 0.000 1.905 286 C HN 0.921 nan 8.230 nan 0.000 0.519 287 C N -2.196 117.090 119.300 -0.024 0.000 3.321 287 C HA 0.477 4.938 4.460 0.001 0.000 0.329 287 C C 0.098 175.062 174.990 -0.042 0.000 1.394 287 C CA -0.641 58.354 59.018 -0.038 0.000 1.291 287 C CB 0.653 28.318 27.740 -0.124 0.000 1.606 287 C HN 0.299 nan 8.230 nan 0.000 0.463 288 D N 0.213 120.579 120.400 -0.057 0.000 2.355 288 D HA 0.247 4.888 4.640 0.001 0.000 0.206 288 D C 0.181 176.414 176.300 -0.112 0.000 1.010 288 D CA 1.188 55.151 54.000 -0.062 0.000 0.875 288 D CB 0.643 41.416 40.800 -0.046 0.000 0.966 288 D HN 0.597 nan 8.370 nan 0.000 0.512 289 I N 2.032 122.497 120.570 -0.174 0.000 2.534 289 I HA 0.277 4.447 4.170 0.001 0.000 0.288 289 I C -0.368 175.636 176.117 -0.188 0.000 1.077 289 I CA -0.999 60.166 61.300 -0.225 0.000 1.051 289 I CB 2.587 40.347 38.000 -0.400 0.000 1.234 289 I HN -0.208 nan 8.210 nan 0.000 0.425 290 I N 2.772 123.262 120.570 -0.133 0.000 2.385 290 I HA 0.472 4.643 4.170 0.001 0.000 0.294 290 I C -0.470 175.600 176.117 -0.079 0.000 0.988 290 I CA -0.342 60.929 61.300 -0.047 0.000 1.265 290 I CB 1.205 39.221 38.000 0.028 0.000 1.388 290 I HN 0.630 nan 8.210 nan 0.000 0.480 291 Q N 5.761 125.567 119.800 0.010 0.000 2.831 291 Q HA 0.361 4.702 4.340 0.001 0.000 0.366 291 Q C -2.498 173.535 176.000 0.056 0.000 0.899 291 Q CA -1.793 54.017 55.803 0.012 0.000 0.987 291 Q CB 0.769 29.538 28.738 0.053 0.000 1.382 291 Q HN 0.542 nan 8.270 nan 0.000 0.403 292 P HA -0.069 nan 4.420 nan 0.000 0.272 292 P C -0.640 176.608 177.300 -0.087 0.000 1.223 292 P CA 0.135 63.215 63.100 -0.033 0.000 0.784 292 P CB 1.136 32.558 31.700 -0.464 0.000 0.923 293 D N 1.927 122.270 120.400 -0.096 0.000 2.280 293 D HA 0.032 4.673 4.640 0.001 0.000 0.236 293 D C 1.097 177.252 176.300 -0.241 0.000 1.082 293 D CA -0.617 53.208 54.000 -0.292 0.000 0.834 293 D CB 2.009 42.270 40.800 -0.898 0.000 1.100 293 D HN -0.014 nan 8.370 nan 0.000 0.486 294 V N 4.240 124.001 119.914 -0.254 0.000 2.568 294 V HA -0.116 4.005 4.120 0.001 0.000 0.253 294 V C 1.832 177.842 176.094 -0.141 0.000 1.072 294 V CA 2.497 64.655 62.300 -0.236 0.000 1.084 294 V CB -0.165 31.495 31.823 -0.271 0.000 0.676 294 V HN 0.735 nan 8.190 nan 0.000 0.469 295 G N -2.408 106.283 108.800 -0.182 0.000 2.985 295 G HA2 -0.069 3.892 3.960 0.001 0.000 0.209 295 G HA3 -0.069 3.892 3.960 0.001 0.000 0.209 295 G C 0.906 175.960 174.900 0.258 0.000 1.165 295 G CA 0.346 45.417 45.100 -0.048 0.000 0.776 295 G HN 0.634 nan 8.290 nan 0.000 0.541 296 W N -0.874 120.456 121.300 0.049 0.000 2.835 296 W HA 0.203 4.864 4.660 0.001 0.000 0.278 296 W C 2.072 178.644 176.519 0.087 0.000 1.075 296 W CA -0.474 56.908 57.345 0.062 0.000 1.439 296 W CB -1.163 28.323 29.460 0.045 0.000 0.927 296 W HN 0.251 nan 8.180 nan 0.000 0.604 297 C N -0.232 119.232 119.300 0.274 0.000 2.618 297 C HA 0.648 5.109 4.460 0.001 0.000 0.264 297 C C 1.818 176.948 174.990 0.232 0.000 1.334 297 C CA 0.876 60.044 59.018 0.250 0.000 1.731 297 C CB -0.708 27.134 27.740 0.170 0.000 1.852 297 C HN 0.487 nan 8.230 nan 0.000 0.566 298 G N -0.881 108.064 108.800 0.241 0.000 2.370 298 G HA2 0.445 4.406 3.960 0.001 0.000 0.174 298 G HA3 0.445 4.406 3.960 0.001 0.000 0.174 298 G C 0.697 175.820 174.900 0.373 0.000 1.002 298 G CA 0.392 45.724 45.100 0.387 0.000 0.730 298 G HN 2.214 nan 8.290 nan 0.000 0.497 299 G N -1.533 107.361 108.800 0.157 0.000 2.685 299 G HA2 0.105 4.066 3.960 0.001 0.000 0.387 299 G HA3 0.105 4.066 3.960 0.001 0.000 0.387 299 G C 0.842 175.722 174.900 -0.033 0.000 1.324 299 G CA 0.060 45.227 45.100 0.110 0.000 0.878 299 G HN 1.150 nan 8.290 nan 0.000 0.527 300 V N 0.586 120.489 119.914 -0.019 0.000 2.343 300 V HA -0.169 3.952 4.120 0.001 0.000 0.247 300 V C 3.181 179.208 176.094 -0.111 0.000 1.051 300 V CA 3.296 65.483 62.300 -0.188 0.000 1.036 300 V CB -1.091 30.450 31.823 -0.470 0.000 0.654 300 V HN 0.985 nan 8.190 nan 0.000 0.451 301 T N -0.425 114.195 114.554 0.110 0.000 2.684 301 T HA -0.255 4.096 4.350 0.001 0.000 0.267 301 T C 1.917 176.412 174.700 -0.340 0.000 1.036 301 T CA 1.970 64.088 62.100 0.029 0.000 1.148 301 T CB -0.204 68.706 68.868 0.069 0.000 0.863 301 T HN 0.485 nan 8.240 nan 0.000 0.436 302 E N 0.612 120.506 120.200 -0.509 0.000 2.158 302 E HA 0.023 4.374 4.350 0.001 0.000 0.191 302 E C 1.880 178.255 176.600 -0.375 0.000 0.982 302 E CA 0.288 56.325 56.400 -0.606 0.000 0.823 302 E CB -0.440 28.948 29.700 -0.520 0.000 0.766 302 E HN 0.285 nan 8.360 nan 0.000 0.468 303 L N 0.175 121.204 121.223 -0.323 0.000 2.201 303 L HA -0.013 4.328 4.340 0.001 0.000 0.212 303 L C 1.841 178.606 176.870 -0.175 0.000 1.105 303 L CA 1.341 55.939 54.840 -0.403 0.000 0.775 303 L CB -0.339 41.266 42.059 -0.757 0.000 0.913 303 L HN 0.245 nan 8.230 nan 0.000 0.440 304 L N -0.829 120.377 121.223 -0.028 0.000 2.046 304 L HA -0.242 4.099 4.340 0.001 0.000 0.208 304 L C 2.522 179.349 176.870 -0.072 0.000 1.077 304 L CA 1.501 56.384 54.840 0.073 0.000 0.747 304 L CB -0.464 41.600 42.059 0.008 0.000 0.896 304 L HN 0.249 nan 8.230 nan 0.000 0.432 305 K N -0.079 120.210 120.400 -0.184 0.000 2.103 305 K HA -0.078 4.243 4.320 0.001 0.000 0.204 305 K C 2.050 178.517 176.600 -0.223 0.000 1.052 305 K CA 1.075 57.228 56.287 -0.223 0.000 0.945 305 K CB -0.084 32.216 32.500 -0.333 0.000 0.722 305 K HN 0.239 nan 8.250 nan 0.000 0.443 306 I N 0.692 121.104 120.570 -0.264 0.000 2.226 306 I HA -0.280 3.891 4.170 0.001 0.000 0.245 306 I C 2.623 178.601 176.117 -0.232 0.000 1.100 306 I CA 0.980 62.104 61.300 -0.293 0.000 1.374 306 I CB -0.243 37.472 38.000 -0.476 0.000 1.057 306 I HN 0.132 nan 8.210 nan 0.000 0.413 307 S N 0.476 116.082 115.700 -0.157 0.000 2.368 307 S HA -0.160 4.311 4.470 0.001 0.000 0.225 307 S C 2.202 176.759 174.600 -0.073 0.000 1.030 307 S CA 1.380 59.536 58.200 -0.074 0.000 0.999 307 S CB -0.189 63.066 63.200 0.091 0.000 0.844 307 S HN 0.467 nan 8.310 nan 0.000 0.459 308 A N 1.208 123.981 122.820 -0.077 0.000 1.930 308 A HA 0.030 4.351 4.320 0.001 0.000 0.217 308 A C 2.109 179.665 177.584 -0.046 0.000 1.175 308 A CA 1.524 53.521 52.037 -0.066 0.000 0.627 308 A CB -0.806 18.150 19.000 -0.075 0.000 0.815 308 A HN 0.558 nan 8.150 nan 0.000 0.443 309 L N -0.114 121.072 121.223 -0.062 0.000 2.017 309 L HA -0.072 4.269 4.340 0.001 0.000 0.208 309 L C 2.659 179.559 176.870 0.050 0.000 1.073 309 L CA 2.240 57.074 54.840 -0.011 0.000 0.745 309 L CB -0.844 41.170 42.059 -0.076 0.000 0.894 309 L HN 0.333 nan 8.230 nan 0.000 0.432 310 A N -0.907 121.892 122.820 -0.035 0.000 1.933 310 A HA -0.225 4.096 4.320 0.001 0.000 0.218 310 A C 1.995 179.592 177.584 0.023 0.000 1.175 310 A CA 1.836 53.859 52.037 -0.023 0.000 0.628 310 A CB -0.835 18.113 19.000 -0.087 0.000 0.814 310 A HN 0.542 nan 8.150 nan 0.000 0.444 311 D N 0.170 120.566 120.400 -0.006 0.000 2.104 311 D HA -0.100 4.541 4.640 0.001 0.000 0.194 311 D C 2.212 178.513 176.300 0.001 0.000 0.994 311 D CA 1.646 55.637 54.000 -0.015 0.000 0.830 311 D CB -0.447 40.332 40.800 -0.035 0.000 0.959 311 D HN 0.432 nan 8.370 nan 0.000 0.452 312 A N 0.064 122.895 122.820 0.019 0.000 2.019 312 A HA -0.178 4.143 4.320 0.001 0.000 0.219 312 A C 1.528 179.065 177.584 -0.078 0.000 1.164 312 A CA 1.358 53.382 52.037 -0.022 0.000 0.644 312 A CB -0.681 18.310 19.000 -0.014 0.000 0.805 312 A HN 0.276 nan 8.150 nan 0.000 0.449 313 H N -0.226 118.820 119.070 -0.039 0.000 2.539 313 H HA 0.143 4.700 4.556 0.001 0.000 0.269 313 H C 0.112 175.420 175.328 -0.033 0.000 0.980 313 H CA 0.307 56.335 56.048 -0.033 0.000 1.152 313 H CB 0.067 29.810 29.762 -0.032 0.000 1.407 313 H HN 0.444 nan 8.280 nan 0.000 0.564 314 N N -0.014 118.712 118.700 0.043 0.000 2.727 314 N HA -0.183 4.557 4.740 0.001 0.000 0.249 314 N C -0.423 175.095 175.510 0.014 0.000 1.048 314 N CA 0.812 53.868 53.050 0.011 0.000 0.714 314 N CB -1.169 37.315 38.487 -0.005 0.000 0.959 314 N HN 0.440 nan 8.380 nan 0.000 0.544 315 A N 0.012 122.843 122.820 0.018 0.000 2.306 315 A HA 0.730 5.051 4.320 0.001 0.000 0.330 315 A C 0.551 178.102 177.584 -0.056 0.000 1.146 315 A CA -0.595 51.434 52.037 -0.013 0.000 0.827 315 A CB 0.969 19.962 19.000 -0.011 0.000 1.178 315 A HN 0.241 nan 8.150 nan 0.000 0.490 316 L N 1.257 122.430 121.223 -0.083 0.000 2.371 316 L HA 0.420 4.761 4.340 0.001 0.000 0.272 316 L C -0.748 176.027 176.870 -0.158 0.000 1.124 316 L CA -0.461 54.302 54.840 -0.129 0.000 0.816 316 L CB 1.298 43.267 42.059 -0.150 0.000 1.129 316 L HN 0.400 nan 8.230 nan 0.000 0.448 317 V N 4.211 124.021 119.914 -0.172 0.000 2.409 317 V HA 0.277 4.398 4.120 0.001 0.000 0.290 317 V C -0.203 175.785 176.094 -0.176 0.000 1.017 317 V CA -0.516 61.684 62.300 -0.166 0.000 0.841 317 V CB 1.801 33.545 31.823 -0.132 0.000 1.003 317 V HN 0.432 nan 8.190 nan 0.000 0.426 318 V N 6.969 126.781 119.914 -0.169 0.000 2.276 318 V HA 0.314 4.435 4.120 0.001 0.000 0.268 318 V C -2.390 173.703 176.094 -0.002 0.000 1.032 318 V CA -1.860 60.377 62.300 -0.104 0.000 0.810 318 V CB 1.272 33.033 31.823 -0.104 0.000 1.060 318 V HN 0.674 nan 8.190 nan 0.000 0.446 319 P HA -0.059 nan 4.420 nan 0.000 0.264 319 P C 0.124 177.461 177.300 0.063 0.000 1.179 319 P CA 0.286 63.376 63.100 -0.018 0.000 0.763 319 P CB 0.226 31.888 31.700 -0.064 0.000 0.806 320 H N 2.857 121.893 119.070 -0.057 0.000 2.964 320 H HA 0.043 4.600 4.556 0.001 0.000 0.328 320 H C 0.645 175.919 175.328 -0.091 0.000 1.030 320 H CA 0.329 56.341 56.048 -0.060 0.000 1.445 320 H CB 0.238 29.900 29.762 -0.168 0.000 1.449 320 H HN 0.530 nan 8.280 nan 0.000 0.581 321 G N 3.537 112.108 108.800 -0.381 0.000 2.178 321 G HA2 0.051 4.012 3.960 0.001 0.000 0.244 321 G HA3 0.051 4.012 3.960 0.001 0.000 0.244 321 G C -0.132 174.718 174.900 -0.084 0.000 1.213 321 G CA 0.002 44.986 45.100 -0.193 0.000 0.912 321 G HN 0.617 nan 8.290 nan 0.000 0.474 322 S N 1.564 117.203 115.700 -0.101 0.000 2.835 322 S HA 0.440 4.911 4.470 0.001 0.000 0.248 322 S C 0.649 174.829 174.600 -0.700 0.000 1.070 322 S CA 0.318 58.434 58.200 -0.139 0.000 1.090 322 S CB 0.210 63.391 63.200 -0.031 0.000 0.978 322 S HN 1.286 nan 8.310 nan 0.000 0.510 323 S N 1.562 116.727 115.700 -0.892 0.000 3.469 323 S HA -0.274 4.197 4.470 0.001 0.000 0.628 323 S C 1.595 175.201 174.600 -1.657 0.000 2.687 323 S CA 1.674 59.123 58.200 -1.252 0.000 3.829 323 S CB -1.359 61.008 63.200 -1.389 0.000 0.258 323 S HN 1.297 nan 8.310 nan 0.000 1.222 324 V N 0.089 119.310 119.914 -1.155 0.000 2.546 324 V HA -0.109 4.012 4.120 0.001 0.000 0.254 324 V C 1.916 177.758 176.094 -0.420 0.000 1.076 324 V CA 2.666 64.606 62.300 -0.601 0.000 1.087 324 V CB -1.621 30.037 31.823 -0.275 0.000 0.674 324 V HN 0.738 nan 8.190 nan 0.000 0.470 325 Y N 2.601 122.618 120.300 -0.471 0.000 2.293 325 Y HA -0.069 4.482 4.550 0.001 0.000 0.291 325 Y C 2.995 178.814 175.900 -0.134 0.000 1.137 325 Y CA 1.424 59.219 58.100 -0.508 0.000 1.202 325 Y CB -0.844 37.247 38.460 -0.616 0.000 0.990 325 Y HN 0.545 nan 8.280 nan 0.000 0.537 326 S N -1.785 113.857 115.700 -0.096 0.000 2.441 326 S HA -0.087 4.383 4.470 0.001 0.000 0.224 326 S C 1.662 176.412 174.600 0.250 0.000 1.043 326 S CA 0.307 58.539 58.200 0.054 0.000 0.948 326 S CB -0.879 62.323 63.200 0.004 0.000 0.810 326 S HN 0.280 nan 8.310 nan 0.000 0.504 327 Y N 2.443 122.849 120.300 0.177 0.000 2.128 327 Y HA -0.079 4.472 4.550 0.001 0.000 0.284 327 Y C 2.848 178.810 175.900 0.103 0.000 1.154 327 Y CA 0.990 59.174 58.100 0.141 0.000 1.149 327 Y CB -1.559 36.971 38.460 0.117 0.000 0.976 327 Y HN 0.431 nan 8.280 nan 0.000 0.505 328 H N -1.939 117.347 119.070 0.361 0.000 2.421 328 H HA -0.164 4.393 4.556 0.002 0.000 0.298 328 H C 2.143 177.600 175.328 0.216 0.000 1.087 328 H CA 1.716 57.944 56.048 0.302 0.000 1.330 328 H CB -0.476 29.473 29.762 0.311 0.000 1.388 328 H HN 0.362 nan 8.280 nan 0.000 0.526 329 F N 1.381 121.452 119.950 0.201 0.000 2.118 329 F HA -0.158 4.370 4.527 0.001 0.000 0.293 329 F C 2.577 178.376 175.800 -0.001 0.000 1.102 329 F CA 1.223 59.253 58.000 0.050 0.000 1.247 329 F CB -0.535 38.468 39.000 0.005 0.000 1.017 329 F HN -0.063 nan 8.300 nan 0.000 0.475 330 V N -0.310 119.765 119.914 0.269 0.000 2.594 330 V HA -0.141 3.980 4.120 0.001 0.000 0.253 330 V C 2.266 178.326 176.094 -0.057 0.000 1.069 330 V CA 1.556 63.918 62.300 0.104 0.000 1.082 330 V CB -2.027 29.873 31.823 0.128 0.000 0.680 330 V HN 0.375 nan 8.190 nan 0.000 0.469 331 A N 1.531 124.313 122.820 -0.063 0.000 2.019 331 A HA -0.136 4.185 4.320 0.001 0.000 0.219 331 A C 2.387 179.871 177.584 -0.167 0.000 1.164 331 A CA 2.347 54.300 52.037 -0.139 0.000 0.644 331 A CB -1.029 17.856 19.000 -0.193 0.000 0.805 331 A HN 0.877 nan 8.150 nan 0.000 0.449 332 T N -3.458 110.975 114.554 -0.201 0.000 3.086 332 T HA 0.212 4.563 4.350 0.001 0.000 0.250 332 T C 0.539 175.088 174.700 -0.252 0.000 1.074 332 T CA -0.391 61.574 62.100 -0.224 0.000 0.988 332 T CB 0.007 68.716 68.868 -0.266 0.000 0.988 332 T HN 0.159 nan 8.240 nan 0.000 0.530 333 R N 2.015 122.366 120.500 -0.248 0.000 2.255 333 R HA 0.393 4.734 4.340 0.001 0.000 0.326 333 R C 0.871 177.089 176.300 -0.136 0.000 0.986 333 R CA -0.590 55.385 56.100 -0.208 0.000 0.847 333 R CB 1.218 31.397 30.300 -0.201 0.000 1.111 333 R HN 0.229 nan 8.270 nan 0.000 0.452 334 Q N 1.515 121.246 119.800 -0.116 0.000 2.226 334 Q HA -0.149 4.192 4.340 0.001 0.000 0.204 334 Q C 0.912 176.864 176.000 -0.080 0.000 0.975 334 Q CA 1.556 57.308 55.803 -0.086 0.000 0.866 334 Q CB 0.068 28.764 28.738 -0.071 0.000 0.915 334 Q HN 0.574 nan 8.270 nan 0.000 0.440 335 N N -0.955 117.692 118.700 -0.089 0.000 2.449 335 N HA -0.033 4.707 4.740 0.001 0.000 0.191 335 N C -0.123 175.310 175.510 -0.127 0.000 1.161 335 N CA 0.108 53.103 53.050 -0.091 0.000 0.863 335 N CB 0.325 38.763 38.487 -0.081 0.000 0.980 335 N HN -0.187 nan 8.380 nan 0.000 0.458 336 S N 1.016 116.636 115.700 -0.133 0.000 2.060 336 S HA 0.324 4.795 4.470 0.001 0.000 0.156 336 S C -1.843 172.649 174.600 -0.181 0.000 1.690 336 S CA -1.307 56.784 58.200 -0.182 0.000 1.238 336 S CB 0.586 63.725 63.200 -0.102 0.000 1.150 336 S HN 0.120 nan 8.310 nan 0.000 0.437 337 P HA 0.038 nan 4.420 nan 0.000 0.222 337 P C 0.079 177.431 177.300 0.086 0.000 1.147 337 P CA 0.780 63.860 63.100 -0.033 0.000 0.790 337 P CB -0.172 31.580 31.700 0.087 0.000 0.780 338 F N -1.913 118.094 119.950 0.096 0.000 2.662 338 F HA 0.827 5.355 4.527 0.002 0.000 0.312 338 F C -1.233 174.651 175.800 0.140 0.000 1.113 338 F CA -1.979 56.086 58.000 0.109 0.000 0.951 338 F CB 0.779 39.950 39.000 0.284 0.000 1.344 338 F HN -0.113 nan 8.300 nan 0.000 0.462 339 A N 0.541 123.541 122.820 0.299 0.000 2.423 339 A HA 0.658 4.979 4.320 0.001 0.000 0.304 339 A C -1.278 176.536 177.584 0.384 0.000 1.104 339 A CA -0.791 51.399 52.037 0.255 0.000 0.757 339 A CB 1.615 20.617 19.000 0.004 0.000 1.313 339 A HN 0.941 nan 8.150 nan 0.000 0.423 340 E N 0.292 120.629 120.200 0.229 0.000 2.249 340 E HA 0.503 4.854 4.350 0.001 0.000 0.280 340 E C -1.859 174.819 176.600 0.130 0.000 1.016 340 E CA -0.281 55.959 56.400 -0.267 0.000 0.830 340 E CB 0.790 30.363 29.700 -0.211 0.000 1.081 340 E HN 0.454 nan 8.360 nan 0.000 0.395 341 F N 6.356 126.190 119.950 -0.195 0.000 2.499 341 F HA 0.305 4.833 4.527 0.001 0.000 0.333 341 F C -1.210 174.482 175.800 -0.181 0.000 1.138 341 F CA -0.941 56.974 58.000 -0.142 0.000 0.945 341 F CB 0.678 39.531 39.000 -0.246 0.000 1.181 341 F HN 0.377 nan 8.300 nan 0.000 0.435 346 P HA -0.182 nan 4.420 nan 0.000 0.216 346 P C 0.758 177.971 177.300 -0.144 0.000 1.154 346 P CA 1.772 64.516 63.100 -0.594 0.000 0.865 346 P CB 0.199 31.767 31.700 -0.221 0.000 0.789 347 K N -1.793 118.616 120.400 0.014 0.000 2.440 347 K HA 0.446 4.767 4.320 0.001 0.000 0.206 347 K C 0.512 177.136 176.600 0.040 0.000 1.025 347 K CA 0.208 56.538 56.287 0.072 0.000 1.135 347 K CB 0.250 32.768 32.500 0.030 0.000 0.856 347 K HN -0.082 nan 8.250 nan 0.000 0.502 348 A N 2.912 125.775 122.820 0.072 0.000 2.715 348 A HA -0.202 4.119 4.320 0.001 0.000 0.301 348 A C 0.525 178.088 177.584 -0.036 0.000 1.515 348 A CA 1.592 53.602 52.037 -0.045 0.000 0.816 348 A CB -1.739 17.027 19.000 -0.389 0.000 1.004 348 A HN 0.648 nan 8.150 nan 0.000 0.483 349 D N -1.513 118.893 120.400 0.010 0.000 2.402 349 D HA 0.317 4.958 4.640 0.001 0.000 0.216 349 D C 0.357 176.679 176.300 0.036 0.000 1.128 349 D CA 0.803 54.810 54.000 0.011 0.000 0.833 349 D CB -0.185 40.619 40.800 0.006 0.000 0.971 349 D HN 1.069 nan 8.370 nan 0.000 0.503 350 Q N -1.608 118.230 119.800 0.063 0.000 2.647 350 Q HA 0.449 4.790 4.340 0.001 0.000 0.283 350 Q C -1.871 174.211 176.000 0.136 0.000 0.943 350 Q CA -1.108 54.745 55.803 0.083 0.000 0.813 350 Q CB 1.138 29.909 28.738 0.055 0.000 1.477 350 Q HN -0.146 nan 8.270 nan 0.000 0.393 351 V N 1.935 121.943 119.914 0.156 0.000 2.498 351 V HA 0.618 4.738 4.120 0.001 0.000 0.279 351 V C 0.089 176.291 176.094 0.180 0.000 1.048 351 V CA -0.054 62.386 62.300 0.232 0.000 0.967 351 V CB 0.973 32.902 31.823 0.175 0.000 0.988 351 V HN 0.664 nan 8.190 nan 0.000 0.473 352 V N 3.450 123.516 119.914 0.254 0.000 3.078 352 V HA 0.751 4.872 4.120 0.001 0.000 0.311 352 V C -2.762 173.503 176.094 0.285 0.000 1.138 352 V CA -2.387 60.012 62.300 0.166 0.000 1.007 352 V CB 1.665 33.530 31.823 0.070 0.000 1.045 352 V HN 0.641 nan 8.190 nan 0.000 0.432 356 H N 4.388 123.600 119.070 0.236 0.000 2.897 356 H HA 0.304 4.861 4.556 0.002 0.000 0.347 356 H C -1.757 173.629 175.328 0.096 0.000 1.068 356 H CA -0.565 55.577 56.048 0.157 0.000 1.426 356 H CB 1.287 31.137 29.762 0.146 0.000 1.410 356 H HN -0.061 nan 8.280 nan 0.000 0.597 357 P HA 0.057 nan 4.420 nan 0.000 0.272 357 P C 0.140 177.358 177.300 -0.136 0.000 1.408 357 P CA 0.213 62.919 63.100 -0.657 0.000 0.996 357 P CB 0.480 31.676 31.700 -0.840 0.000 1.481 358 Q N -0.257 119.520 119.800 -0.038 0.000 2.167 358 Q HA -0.001 4.340 4.340 0.001 0.000 0.202 358 Q C 0.037 176.116 176.000 0.131 0.000 0.970 358 Q CA 0.833 56.660 55.803 0.041 0.000 0.855 358 Q CB -0.135 28.636 28.738 0.055 0.000 0.911 358 Q HN 0.251 nan 8.270 nan 0.000 0.438 359 L N 1.220 122.565 121.223 0.204 0.000 2.276 359 L HA 0.291 4.632 4.340 0.001 0.000 0.286 359 L C -0.544 176.445 176.870 0.199 0.000 1.024 359 L CA 0.065 55.052 54.840 0.245 0.000 0.826 359 L CB 0.961 43.192 42.059 0.287 0.000 1.211 359 L HN 0.044 nan 8.230 nan 0.000 0.422 360 L N 3.399 124.723 121.223 0.168 0.000 2.397 360 L HA 0.432 4.773 4.340 0.001 0.000 0.271 360 L C 1.305 178.267 176.870 0.153 0.000 1.148 360 L CA 0.109 55.033 54.840 0.140 0.000 0.825 360 L CB 0.816 42.935 42.059 0.101 0.000 1.117 360 L HN 0.919 nan 8.230 nan 0.000 0.456 361 G N 1.832 110.713 108.800 0.135 0.000 2.143 361 G HA2 -0.278 3.683 3.960 0.001 0.000 0.249 361 G HA3 -0.278 3.683 3.960 0.001 0.000 0.249 361 G C 0.224 175.208 174.900 0.141 0.000 0.981 361 G CA 0.182 45.359 45.100 0.129 0.000 0.665 361 G HN 0.723 nan 8.290 nan 0.000 0.528 362 E N 1.914 122.207 120.200 0.154 0.000 2.299 362 E HA 0.377 4.728 4.350 0.001 0.000 0.272 362 E C -1.529 175.166 176.600 0.159 0.000 1.043 362 E CA -1.392 55.106 56.400 0.163 0.000 0.895 362 E CB 0.723 30.531 29.700 0.180 0.000 1.011 362 E HN 0.289 nan 8.360 nan 0.000 0.432 363 P HA 0.054 nan 4.420 nan 0.000 0.279 363 P C -0.638 176.712 177.300 0.084 0.000 1.239 363 P CA -0.405 62.760 63.100 0.109 0.000 0.789 363 P CB 1.225 32.983 31.700 0.098 0.000 0.933 364 V N 0.044 119.947 119.914 -0.019 0.000 2.881 364 V HA 0.636 4.757 4.120 0.001 0.000 0.316 364 V C -2.696 173.197 176.094 -0.335 0.000 1.070 364 V CA -2.989 59.227 62.300 -0.139 0.000 0.976 364 V CB 0.868 32.660 31.823 -0.053 0.000 1.038 364 V HN 0.311 nan 8.190 nan 0.000 0.446 365 P HA 0.242 nan 4.420 nan 0.000 0.268 365 P C -0.822 176.247 177.300 -0.385 0.000 1.205 365 P CA 0.154 62.893 63.100 -0.602 0.000 0.771 365 P CB 0.371 31.485 31.700 -0.976 0.000 0.858 366 E N 3.232 123.268 120.200 -0.273 0.000 2.073 366 E HA 0.148 4.499 4.350 0.001 0.000 0.269 366 E C -0.357 176.098 176.600 -0.242 0.000 0.917 366 E CA -0.523 55.751 56.400 -0.210 0.000 0.757 366 E CB -0.224 29.392 29.700 -0.140 0.000 1.111 366 E HN 0.337 nan 8.360 nan 0.000 0.410 367 N N 3.926 122.459 118.700 -0.278 0.000 2.738 367 N HA -0.229 4.512 4.740 0.001 0.000 0.249 367 N C 0.467 175.725 175.510 -0.420 0.000 1.047 367 N CA 1.653 54.525 53.050 -0.296 0.000 0.707 367 N CB -1.263 37.112 38.487 -0.186 0.000 0.937 367 N HN 0.946 nan 8.380 nan 0.000 0.545 368 G N -1.633 106.725 108.800 -0.737 0.000 2.162 368 G HA2 -0.335 3.626 3.960 0.001 0.000 0.260 368 G HA3 -0.335 3.626 3.960 0.001 0.000 0.260 368 G C 0.208 174.958 174.900 -0.249 0.000 0.976 368 G CA 0.881 45.457 45.100 -0.874 0.000 0.655 368 G HN 0.634 nan 8.290 nan 0.000 0.533 372 L N 1.566 122.705 121.223 -0.140 0.000 2.265 372 L HA -0.120 4.220 4.340 0.001 0.000 0.215 372 L C 1.984 178.789 176.870 -0.108 0.000 1.117 372 L CA 2.423 57.150 54.840 -0.189 0.000 0.782 372 L CB -0.738 41.162 42.059 -0.266 0.000 0.914 372 L HN 0.746 nan 8.230 nan 0.000 0.441 373 S N -0.912 114.748 115.700 -0.066 0.000 2.469 373 S HA -0.182 4.289 4.470 0.001 0.000 0.238 373 S C 1.895 176.498 174.600 0.006 0.000 0.998 373 S CA 0.605 58.794 58.200 -0.019 0.000 0.957 373 S CB -0.350 62.837 63.200 -0.022 0.000 0.764 373 S HN 0.446 nan 8.310 nan 0.000 0.514 374 R N 0.547 121.041 120.500 -0.010 0.000 2.193 374 R HA 0.264 4.605 4.340 0.001 0.000 0.213 374 R C 0.352 176.685 176.300 0.054 0.000 1.055 374 R CA 0.507 56.615 56.100 0.013 0.000 0.995 374 R CB -0.272 30.023 30.300 -0.010 0.000 0.893 374 R HN 0.419 nan 8.270 nan 0.000 0.459 375 L N 2.577 123.837 121.223 0.062 0.000 2.719 375 L HA 0.122 4.463 4.340 0.001 0.000 0.236 375 L C 0.072 177.095 176.870 0.256 0.000 1.285 375 L CA -0.370 54.557 54.840 0.146 0.000 1.222 375 L CB 0.313 42.373 42.059 0.002 0.000 1.493 375 L HN 0.133 nan 8.230 nan 0.000 0.415 376 D N -1.951 118.548 120.400 0.165 0.000 2.398 376 D HA 0.001 4.642 4.640 0.001 0.000 0.210 376 D C 0.572 176.924 176.300 0.087 0.000 1.094 376 D CA -0.108 53.968 54.000 0.126 0.000 0.839 376 D CB 0.408 41.259 40.800 0.086 0.000 0.963 376 D HN 0.162 nan 8.370 nan 0.000 0.506 377 Q N 1.066 120.928 119.800 0.104 0.000 2.260 377 Q HA 0.405 4.745 4.340 0.001 0.000 0.238 377 Q C -2.357 173.663 176.000 0.034 0.000 0.948 377 Q CA -2.070 53.776 55.803 0.072 0.000 0.895 377 Q CB 0.600 29.393 28.738 0.091 0.000 1.218 377 Q HN 0.060 nan 8.270 nan 0.000 0.470 378 P HA 0.053 nan 4.420 nan 0.000 0.267 378 P C 0.459 177.716 177.300 -0.071 0.000 1.200 378 P CA 1.010 64.093 63.100 -0.030 0.000 0.772 378 P CB 0.397 32.097 31.700 0.001 0.000 0.855 379 G N 1.647 110.349 108.800 -0.163 0.000 2.574 379 G HA2 -0.330 3.631 3.960 0.001 0.000 0.286 379 G HA3 -0.330 3.631 3.960 0.001 0.000 0.286 379 G C 0.342 174.908 174.900 -0.557 0.000 1.212 379 G CA 0.033 44.959 45.100 -0.291 0.000 0.979 379 G HN 0.414 nan 8.290 nan 0.000 0.557 380 F N 3.052 122.843 119.950 -0.266 0.000 2.773 380 F HA 0.407 4.935 4.527 0.001 0.000 0.304 380 F C 2.231 177.932 175.800 -0.166 0.000 1.129 380 F CA 1.235 58.973 58.000 -0.437 0.000 1.378 380 F CB 0.162 38.955 39.000 -0.345 0.000 1.095 380 F HN 1.547 nan 8.300 nan 0.000 0.565 381 G N 1.004 109.837 108.800 0.054 0.000 2.187 381 G HA2 -0.231 3.730 3.960 0.001 0.000 0.261 381 G HA3 -0.231 3.730 3.960 0.001 0.000 0.261 381 G C 0.115 175.114 174.900 0.166 0.000 1.000 381 G CA 0.484 45.665 45.100 0.137 0.000 0.718 381 G HN 0.530 nan 8.290 nan 0.000 0.519 382 V N -3.175 116.851 119.914 0.186 0.000 3.074 382 V HA 1.019 5.140 4.120 0.001 0.000 0.314 382 V C 0.110 176.460 176.094 0.426 0.000 1.117 382 V CA 0.035 62.486 62.300 0.252 0.000 1.014 382 V CB 2.005 33.962 31.823 0.224 0.000 1.057 382 V HN 1.204 nan 8.190 nan 0.000 0.438 383 T N -0.009 114.774 114.554 0.381 0.000 2.916 383 T HA 0.711 5.061 4.350 0.001 0.000 0.292 383 T C -0.789 173.976 174.700 0.108 0.000 1.055 383 T CA -0.671 61.601 62.100 0.286 0.000 1.009 383 T CB 1.663 70.609 68.868 0.131 0.000 1.118 383 T HN 0.899 nan 8.240 nan 0.000 0.497 384 L N 2.879 123.913 121.223 -0.315 0.000 2.410 384 L HA 0.368 4.709 4.340 0.001 0.000 0.273 384 L C 0.459 177.249 176.870 -0.134 0.000 1.144 384 L CA -0.111 54.528 54.840 -0.334 0.000 0.863 384 L CB 0.255 41.947 42.059 -0.613 0.000 1.140 384 L HN 0.820 nan 8.230 nan 0.000 0.463 385 N N 6.282 124.951 118.700 -0.053 0.000 2.438 385 N HA 0.075 4.816 4.740 0.001 0.000 0.267 385 N C -1.900 173.573 175.510 -0.061 0.000 1.222 385 N CA -1.389 51.645 53.050 -0.026 0.000 0.930 385 N CB 1.099 39.587 38.487 0.002 0.000 1.083 385 N HN 0.385 nan 8.380 nan 0.000 0.476 386 P HA -0.108 nan 4.420 nan 0.000 0.219 386 P C 0.792 178.061 177.300 -0.052 0.000 1.146 386 P CA 0.961 64.024 63.100 -0.062 0.000 0.808 386 P CB 0.384 32.059 31.700 -0.041 0.000 0.779 387 E N -0.857 119.323 120.200 -0.033 0.000 2.110 387 E HA -0.116 4.234 4.350 0.001 0.000 0.193 387 E C 0.477 177.055 176.600 -0.037 0.000 0.988 387 E CA 0.664 57.048 56.400 -0.025 0.000 0.804 387 E CB -0.985 28.709 29.700 -0.010 0.000 0.745 387 E HN 0.233 nan 8.360 nan 0.000 0.458 388 C N 2.909 122.179 119.300 -0.050 0.000 2.657 388 C HA 0.070 4.531 4.460 0.001 0.000 0.404 388 C C 0.711 175.663 174.990 -0.063 0.000 1.369 388 C CA -0.335 58.650 59.018 -0.056 0.000 1.665 388 C CB -1.202 26.500 27.740 -0.062 0.000 2.453 388 C HN 0.238 nan 8.230 nan 0.000 0.599 389 Q N 3.204 122.980 119.800 -0.041 0.000 2.324 389 Q HA 0.323 4.663 4.340 0.001 0.000 0.257 389 Q C -0.288 175.702 176.000 -0.018 0.000 1.080 389 Q CA 0.132 55.914 55.803 -0.034 0.000 0.907 389 Q CB 0.471 29.203 28.738 -0.009 0.000 1.274 389 Q HN 0.663 nan 8.270 nan 0.000 0.434 390 L N 2.359 123.543 121.223 -0.065 0.000 2.452 390 L HA 0.224 4.565 4.340 0.001 0.000 0.267 390 L C 0.296 177.238 176.870 0.120 0.000 1.188 390 L CA -0.218 54.600 54.840 -0.037 0.000 0.821 390 L CB 0.360 42.209 42.059 -0.351 0.000 1.102 390 L HN 0.583 nan 8.230 nan 0.000 0.470 391 H N 2.791 121.955 119.070 0.156 0.000 2.609 391 H HA 0.326 4.883 4.556 0.002 0.000 0.344 391 H C -1.188 174.288 175.328 0.247 0.000 1.040 391 H CA -0.982 55.156 56.048 0.151 0.000 1.216 391 H CB 1.555 31.357 29.762 0.066 0.000 1.529 391 H HN 0.448 nan 8.280 nan 0.000 0.519 392 R N 6.198 126.741 120.500 0.071 0.000 2.522 392 R HA 0.315 4.656 4.340 0.001 0.000 0.290 392 R C -2.034 174.220 176.300 -0.078 0.000 1.216 392 R CA -1.536 54.580 56.100 0.027 0.000 1.250 392 R CB 0.425 30.725 30.300 0.000 0.000 1.143 392 R HN 0.451 nan 8.270 nan 0.000 0.553 393 P HA -0.078 nan 4.420 nan 0.000 0.217 393 P C -0.808 176.154 177.300 -0.563 0.000 1.150 393 P CA 1.235 64.205 63.100 -0.216 0.000 0.832 393 P CB 0.156 31.632 31.700 -0.372 0.000 0.787 394 Y N -2.125 118.202 120.300 0.045 0.000 2.576 394 Y HA 0.555 5.106 4.550 0.001 0.000 0.346 394 Y C 0.725 176.610 175.900 -0.024 0.000 1.018 394 Y CA -0.879 57.227 58.100 0.010 0.000 1.050 394 Y CB 1.286 39.744 38.460 -0.003 0.000 1.280 394 Y HN -0.304 nan 8.280 nan 0.000 0.474 395 T N -2.168 112.482 114.554 0.161 0.000 2.838 395 T HA 0.735 5.086 4.350 0.001 0.000 0.292 395 T C -1.149 173.614 174.700 0.106 0.000 1.113 395 T CA -0.752 61.386 62.100 0.063 0.000 1.008 395 T CB 2.470 71.320 68.868 -0.029 0.000 1.259 395 T HN 0.918 nan 8.240 nan 0.000 0.520 396 H N 0.000 119.047 119.070 -0.039 0.000 2.539 396 H HA 0.000 4.557 4.556 0.001 0.000 0.296 396 H CA 0.000 56.013 56.048 -0.058 0.000 1.023 396 H CB 0.000 29.710 29.762 -0.086 0.000 1.292 396 H HN 0.000 nan 8.280 nan 0.000 0.496