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 1ybq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGEAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAYHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VKCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSNGNGSQ PFFDDEGNLT DATA SEQUENCE HIGVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFET VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.619 32.600 0.031 0.000 1.302 2 I N 1.440 121.997 120.570 -0.022 0.000 2.385 2 I HA 0.277 4.447 4.170 -0.001 0.000 0.294 2 I C -0.442 175.484 176.117 -0.318 0.000 0.988 2 I CA -0.338 60.839 61.300 -0.204 0.000 1.265 2 I CB 1.260 39.108 38.000 -0.255 0.000 1.388 2 I HN 0.501 nan 8.210 nan 0.000 0.480 3 D N 5.877 126.052 120.400 -0.375 0.000 2.313 3 D HA 0.160 4.800 4.640 -0.001 0.000 0.239 3 D C -0.625 175.457 176.300 -0.362 0.000 1.142 3 D CA 0.062 53.917 54.000 -0.241 0.000 0.847 3 D CB 0.541 41.266 40.800 -0.125 0.000 1.082 3 D HN 0.305 nan 8.370 nan 0.000 0.480 4 Y N 1.395 121.741 120.300 0.078 0.000 2.706 4 Y HA 0.089 4.638 4.550 -0.001 0.000 0.255 4 Y C 2.163 178.110 175.900 0.078 0.000 1.163 4 Y CA -0.225 57.944 58.100 0.115 0.000 1.174 4 Y CB 0.398 39.004 38.460 0.244 0.000 1.200 4 Y HN 0.391 nan 8.280 nan 0.000 0.544 5 T N -2.980 111.658 114.554 0.140 0.000 2.867 5 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 5 T C 2.245 176.935 174.700 -0.017 0.000 1.057 5 T CA 1.055 63.196 62.100 0.069 0.000 1.136 5 T CB -0.251 68.645 68.868 0.047 0.000 0.874 5 T HN 0.334 nan 8.240 nan 0.000 0.466 6 A N 1.812 124.613 122.820 -0.031 0.000 2.032 6 A HA 0.165 4.485 4.320 -0.001 0.000 0.221 6 A C 2.740 180.237 177.584 -0.145 0.000 1.165 6 A CA 1.894 53.891 52.037 -0.067 0.000 0.645 6 A CB -1.308 17.662 19.000 -0.051 0.000 0.807 6 A HN 0.824 nan 8.150 nan 0.000 0.453 7 A N -1.327 121.337 122.820 -0.261 0.000 2.014 7 A HA 0.346 4.665 4.320 -0.001 0.000 0.218 7 A C 1.953 179.221 177.584 -0.526 0.000 1.163 7 A CA 1.362 53.053 52.037 -0.577 0.000 0.652 7 A CB -1.136 17.035 19.000 -1.382 0.000 0.808 7 A HN 2.024 nan 8.150 nan 0.000 0.449 8 G N -1.120 107.491 108.800 -0.315 0.000 2.333 8 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.296 8 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.296 8 G C -0.139 174.678 174.900 -0.137 0.000 1.059 8 G CA 0.033 45.040 45.100 -0.155 0.000 1.050 8 G HN 0.364 nan 8.290 nan 0.000 0.508 9 F N 0.517 120.481 119.950 0.022 0.000 2.495 9 F HA 0.473 4.999 4.527 -0.001 0.000 0.365 9 F C 1.162 176.960 175.800 -0.004 0.000 1.090 9 F CA 0.459 58.460 58.000 0.003 0.000 1.235 9 F CB 1.299 40.296 39.000 -0.005 0.000 1.119 9 F HN 0.075 nan 8.300 nan 0.000 0.562 10 T N 5.076 119.741 114.554 0.184 0.000 3.011 10 T HA 0.373 4.723 4.350 -0.001 0.000 0.303 10 T C -1.326 173.387 174.700 0.021 0.000 0.997 10 T CA -0.539 61.603 62.100 0.070 0.000 1.007 10 T CB 1.351 70.224 68.868 0.009 0.000 1.017 10 T HN 0.339 nan 8.240 nan 0.000 0.443 11 L N 4.947 126.173 121.223 0.005 0.000 2.280 11 L HA 0.630 4.970 4.340 -0.001 0.000 0.287 11 L C -1.274 175.572 176.870 -0.041 0.000 1.023 11 L CA -0.543 54.284 54.840 -0.021 0.000 0.819 11 L CB 0.564 42.611 42.059 -0.020 0.000 1.212 11 L HN 0.608 nan 8.230 nan 0.000 0.420 12 L N 5.614 126.798 121.223 -0.066 0.000 2.272 12 L HA 0.470 4.809 4.340 -0.001 0.000 0.284 12 L C 0.032 176.878 176.870 -0.039 0.000 1.045 12 L CA -0.232 54.566 54.840 -0.069 0.000 0.842 12 L CB 0.875 42.855 42.059 -0.131 0.000 1.224 12 L HN 0.616 nan 8.230 nan 0.000 0.430 13 Q N 1.911 121.698 119.800 -0.021 0.000 2.256 13 Q HA 0.301 4.640 4.340 -0.001 0.000 0.254 13 Q C 0.912 176.908 176.000 -0.005 0.000 0.916 13 Q CA -0.015 55.779 55.803 -0.015 0.000 0.932 13 Q CB 1.744 30.475 28.738 -0.011 0.000 1.207 13 Q HN 0.858 nan 8.270 nan 0.000 0.426 14 G N 2.172 110.964 108.800 -0.013 0.000 2.356 14 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.296 14 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.296 14 G C 0.107 175.009 174.900 0.004 0.000 1.022 14 G CA 0.427 45.519 45.100 -0.013 0.000 0.961 14 G HN 0.730 nan 8.290 nan 0.000 0.510 15 A N -0.778 122.051 122.820 0.016 0.000 2.271 15 A HA 0.721 5.040 4.320 -0.001 0.000 0.288 15 A C 0.213 177.840 177.584 0.072 0.000 1.094 15 A CA -0.128 51.943 52.037 0.057 0.000 0.828 15 A CB 0.577 19.616 19.000 0.066 0.000 1.091 15 A HN 0.894 nan 8.150 nan 0.000 0.493 16 H N 0.246 119.313 119.070 -0.005 0.000 2.723 16 H HA 0.468 5.023 4.556 -0.001 0.000 0.294 16 H C -0.778 174.464 175.328 -0.143 0.000 1.079 16 H CA -0.601 55.398 56.048 -0.082 0.000 1.411 16 H CB 0.608 30.354 29.762 -0.026 0.000 1.439 16 H HN 0.545 nan 8.280 nan 0.000 0.474 17 L N 6.601 127.875 121.223 0.085 0.000 2.275 17 L HA 0.278 4.618 4.340 -0.001 0.000 0.288 17 L C -1.701 175.017 176.870 -0.253 0.000 1.046 17 L CA -0.365 54.456 54.840 -0.032 0.000 0.805 17 L CB 0.364 42.414 42.059 -0.016 0.000 1.193 17 L HN 0.616 nan 8.230 nan 0.000 0.426 18 Y N 4.558 124.915 120.300 0.095 0.000 2.388 18 Y HA 0.519 5.068 4.550 -0.001 0.000 0.328 18 Y C 0.883 176.821 175.900 0.064 0.000 0.963 18 Y CA -0.425 57.715 58.100 0.067 0.000 1.240 18 Y CB 1.782 40.261 38.460 0.033 0.000 1.118 18 Y HN 0.749 nan 8.280 nan 0.000 0.484 19 A N 4.480 127.394 122.820 0.156 0.000 2.208 19 A HA 0.086 4.405 4.320 -0.001 0.000 0.209 19 A C -0.928 176.723 177.584 0.111 0.000 1.161 19 A CA 0.109 52.211 52.037 0.110 0.000 0.782 19 A CB -0.944 18.097 19.000 0.067 0.000 0.816 19 A HN 0.523 nan 8.150 nan 0.000 0.477 20 P HA -0.052 nan 4.420 nan 0.000 0.225 20 P C -0.288 177.136 177.300 0.208 0.000 1.148 20 P CA 0.604 63.812 63.100 0.180 0.000 0.779 20 P CB -0.162 31.627 31.700 0.147 0.000 0.780 21 E N 1.044 121.331 120.200 0.144 0.000 2.414 21 E HA 0.070 4.419 4.350 -0.001 0.000 0.263 21 E C 0.202 176.874 176.600 0.121 0.000 1.000 21 E CA -0.048 56.429 56.400 0.129 0.000 0.914 21 E CB -0.445 29.304 29.700 0.081 0.000 0.948 21 E HN -0.014 nan 8.360 nan 0.000 0.444 22 D N 2.302 122.784 120.400 0.136 0.000 2.368 22 D HA -0.050 4.590 4.640 -0.001 0.000 0.268 22 D C 0.044 176.334 176.300 -0.017 0.000 1.298 22 D CA 0.097 54.111 54.000 0.023 0.000 0.938 22 D CB 0.410 41.282 40.800 0.121 0.000 1.101 22 D HN 0.214 nan 8.370 nan 0.000 0.509 23 R N 2.829 123.283 120.500 -0.077 0.000 2.334 23 R HA 0.257 4.597 4.340 -0.001 0.000 0.216 23 R C 1.332 177.559 176.300 -0.122 0.000 0.905 23 R CA 0.373 56.433 56.100 -0.066 0.000 1.064 23 R CB -0.233 30.036 30.300 -0.052 0.000 1.046 23 R HN 0.697 nan 8.270 nan 0.000 0.508 24 G N 1.848 110.539 108.800 -0.181 0.000 2.601 24 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.261 24 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.261 24 G C -0.052 174.560 174.900 -0.481 0.000 1.289 24 G CA -0.470 44.348 45.100 -0.471 0.000 0.920 24 G HN 0.145 nan 8.290 nan 0.000 0.571 25 I N 0.445 120.754 120.570 -0.435 0.000 2.517 25 I HA 0.427 4.597 4.170 -0.001 0.000 0.285 25 I C 0.967 176.999 176.117 -0.141 0.000 1.106 25 I CA 0.023 61.175 61.300 -0.247 0.000 1.402 25 I CB -0.325 37.561 38.000 -0.189 0.000 1.399 25 I HN 0.741 nan 8.210 nan 0.000 0.535 26 C N 5.895 125.139 119.300 -0.092 0.000 3.170 26 C HA 0.446 4.906 4.460 -0.001 0.000 0.319 26 C C -0.609 174.356 174.990 -0.042 0.000 1.260 26 C CA -0.582 58.398 59.018 -0.063 0.000 1.374 26 C CB 2.155 29.859 27.740 -0.060 0.000 1.739 26 C HN 0.773 nan 8.230 nan 0.000 0.479 27 D N 1.030 121.407 120.400 -0.038 0.000 2.332 27 D HA 0.692 5.331 4.640 -0.001 0.000 0.252 27 D C -0.915 175.365 176.300 -0.033 0.000 1.050 27 D CA -0.066 53.914 54.000 -0.034 0.000 0.970 27 D CB 1.780 42.560 40.800 -0.034 0.000 1.141 27 D HN 0.286 nan 8.370 nan 0.000 0.485 28 V N 1.796 121.687 119.914 -0.038 0.000 2.612 28 V HA 0.228 4.348 4.120 -0.001 0.000 0.301 28 V C -0.906 175.162 176.094 -0.042 0.000 1.059 28 V CA -0.804 61.472 62.300 -0.040 0.000 0.886 28 V CB 1.951 33.746 31.823 -0.048 0.000 1.007 28 V HN 0.296 nan 8.190 nan 0.000 0.426 29 L N 6.725 127.934 121.223 -0.023 0.000 2.282 29 L HA 0.783 5.123 4.340 -0.001 0.000 0.288 29 L C -0.510 176.371 176.870 0.017 0.000 1.033 29 L CA 0.185 55.024 54.840 -0.002 0.000 0.807 29 L CB 1.617 43.676 42.059 0.000 0.000 1.209 29 L HN 0.457 nan 8.230 nan 0.000 0.423 30 V N 4.352 124.287 119.914 0.035 0.000 2.680 30 V HA 0.962 5.082 4.120 -0.001 0.000 0.309 30 V C -0.300 175.850 176.094 0.093 0.000 1.052 30 V CA -0.318 62.003 62.300 0.034 0.000 0.908 30 V CB 1.479 33.283 31.823 -0.031 0.000 1.001 30 V HN 0.990 nan 8.190 nan 0.000 0.431 31 A N 2.810 125.658 122.820 0.046 0.000 2.547 31 A HA 0.676 4.995 4.320 -0.001 0.000 0.297 31 A C 0.074 177.616 177.584 -0.069 0.000 1.056 31 A CA -0.625 51.386 52.037 -0.044 0.000 0.688 31 A CB 1.106 20.095 19.000 -0.019 0.000 1.282 31 A HN 0.903 nan 8.150 nan 0.000 0.400 32 N N 0.733 119.353 118.700 -0.133 0.000 2.708 32 N HA -0.255 4.485 4.740 -0.001 0.000 0.251 32 N C 1.053 176.540 175.510 -0.039 0.000 1.017 32 N CA 2.343 55.341 53.050 -0.087 0.000 0.742 32 N CB -0.983 37.458 38.487 -0.077 0.000 0.943 32 N HN 2.280 nan 8.380 nan 0.000 0.539 33 G N -1.517 107.268 108.800 -0.025 0.000 2.162 33 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.260 33 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.260 33 G C -0.028 174.877 174.900 0.008 0.000 0.976 33 G CA 0.930 46.030 45.100 0.000 0.000 0.655 33 G HN 0.462 nan 8.290 nan 0.000 0.533 34 K N -0.147 120.255 120.400 0.004 0.000 2.328 34 K HA 0.586 4.905 4.320 -0.001 0.000 0.246 34 K C 0.232 176.840 176.600 0.014 0.000 0.955 34 K CA -1.072 55.223 56.287 0.014 0.000 0.817 34 K CB 2.093 34.603 32.500 0.017 0.000 1.208 34 K HN 0.162 nan 8.250 nan 0.000 0.432 35 I N 3.795 124.374 120.570 0.015 0.000 2.436 35 I HA 0.010 4.179 4.170 -0.001 0.000 0.289 35 I C 1.619 177.748 176.117 0.020 0.000 1.083 35 I CA 0.159 61.466 61.300 0.011 0.000 1.372 35 I CB 0.198 38.204 38.000 0.010 0.000 1.408 35 I HN 0.609 nan 8.210 nan 0.000 0.516 36 I N 3.463 124.049 120.570 0.027 0.000 3.854 36 I HA 0.531 4.701 4.170 -0.001 0.000 0.312 36 I C 0.692 176.822 176.117 0.021 0.000 1.273 36 I CA 0.038 61.359 61.300 0.035 0.000 1.298 36 I CB 0.406 38.444 38.000 0.063 0.000 1.071 36 I HN 0.487 nan 8.210 nan 0.000 0.428 37 A N 0.730 123.557 122.820 0.011 0.000 2.566 37 A HA 0.753 5.073 4.320 -0.001 0.000 0.297 37 A C -1.280 176.299 177.584 -0.007 0.000 1.059 37 A CA -0.429 51.608 52.037 -0.000 0.000 0.691 37 A CB 1.794 20.790 19.000 -0.007 0.000 1.282 37 A HN -0.024 nan 8.150 nan 0.000 0.401 38 V N 0.697 120.605 119.914 -0.009 0.000 2.524 38 V HA 0.871 4.990 4.120 -0.001 0.000 0.297 38 V C 0.100 176.184 176.094 -0.018 0.000 1.035 38 V CA 0.342 62.634 62.300 -0.013 0.000 0.867 38 V CB 0.892 32.710 31.823 -0.007 0.000 1.004 38 V HN 2.159 nan 8.190 nan 0.000 0.426 39 A N 2.914 125.719 122.820 -0.025 0.000 2.567 39 A HA 0.759 5.079 4.320 -0.001 0.000 0.291 39 A C -0.591 176.972 177.584 -0.035 0.000 1.048 39 A CA -0.497 51.523 52.037 -0.028 0.000 0.661 39 A CB 1.448 20.433 19.000 -0.025 0.000 1.288 39 A HN 0.605 nan 8.150 nan 0.000 0.424 40 S N 1.628 117.305 115.700 -0.038 0.000 2.549 40 S HA 0.395 4.865 4.470 -0.001 0.000 0.279 40 S C 0.230 174.807 174.600 -0.038 0.000 1.321 40 S CA 0.058 58.232 58.200 -0.043 0.000 1.054 40 S CB -0.438 62.734 63.200 -0.047 0.000 0.899 40 S HN 0.882 nan 8.310 nan 0.000 0.497 41 N N 2.306 120.983 118.700 -0.038 0.000 2.501 41 N HA -0.174 4.566 4.740 -0.001 0.000 0.291 41 N C -1.093 174.395 175.510 -0.036 0.000 1.304 41 N CA 0.663 53.692 53.050 -0.035 0.000 0.686 41 N CB -0.923 37.544 38.487 -0.033 0.000 0.924 41 N HN 0.571 nan 8.380 nan 0.000 0.533 42 I N 2.472 123.020 120.570 -0.037 0.000 2.354 42 I HA 0.248 4.417 4.170 -0.001 0.000 0.292 42 I C -1.801 174.288 176.117 -0.046 0.000 0.989 42 I CA -2.052 59.222 61.300 -0.042 0.000 1.188 42 I CB 1.430 39.404 38.000 -0.043 0.000 1.342 42 I HN 0.011 nan 8.210 nan 0.000 0.457 43 P HA 0.012 nan 4.420 nan 0.000 0.261 43 P C 0.630 177.890 177.300 -0.065 0.000 1.203 43 P CA -0.011 63.056 63.100 -0.055 0.000 0.767 43 P CB 0.388 32.050 31.700 -0.062 0.000 0.785 44 S N 1.118 116.785 115.700 -0.054 0.000 2.584 44 S HA -0.141 4.329 4.470 -0.001 0.000 0.240 44 S C 0.839 175.395 174.600 -0.073 0.000 0.975 44 S CA 0.878 59.045 58.200 -0.055 0.000 0.949 44 S CB -0.634 62.544 63.200 -0.037 0.000 0.761 44 S HN 0.541 nan 8.310 nan 0.000 0.536 45 D N -0.415 119.934 120.400 -0.085 0.000 2.503 45 D HA 0.180 4.819 4.640 -0.001 0.000 0.218 45 D C 1.116 177.330 176.300 -0.144 0.000 1.183 45 D CA -0.559 53.379 54.000 -0.103 0.000 0.827 45 D CB -0.563 40.191 40.800 -0.076 0.000 1.034 45 D HN 0.288 nan 8.370 nan 0.000 0.510 46 I N 1.468 121.949 120.570 -0.148 0.000 2.248 46 I HA -0.157 4.013 4.170 -0.001 0.000 0.248 46 I C 0.457 176.416 176.117 -0.264 0.000 1.107 46 I CA 0.978 62.176 61.300 -0.170 0.000 1.373 46 I CB 0.028 37.944 38.000 -0.140 0.000 1.055 46 I HN 0.125 nan 8.210 nan 0.000 0.418 47 V N -2.563 117.128 119.914 -0.371 0.000 2.962 47 V HA 0.658 4.778 4.120 -0.001 0.000 0.313 47 V C -2.683 173.098 176.094 -0.522 0.000 1.099 47 V CA -1.862 60.061 62.300 -0.629 0.000 0.971 47 V CB 1.159 32.252 31.823 -1.218 0.000 1.028 47 V HN -0.055 nan 8.190 nan 0.000 0.430 48 P HA 0.323 nan 4.420 nan 0.000 0.274 48 P C -0.138 177.143 177.300 -0.032 0.000 1.237 48 P CA 0.027 62.938 63.100 -0.315 0.000 0.793 48 P CB 0.064 31.378 31.700 -0.643 0.000 0.977 49 N N -2.673 116.081 118.700 0.091 0.000 2.696 49 N HA -0.197 4.543 4.740 -0.001 0.000 0.249 49 N C -0.119 175.507 175.510 0.193 0.000 1.090 49 N CA 0.253 53.410 53.050 0.178 0.000 0.716 49 N CB -1.759 36.894 38.487 0.277 0.000 1.020 49 N HN 0.473 nan 8.380 nan 0.000 0.548 50 C N 0.899 120.259 119.300 0.100 0.000 2.514 50 C HA 0.277 4.736 4.460 -0.001 0.000 0.392 50 C C 0.941 175.979 174.990 0.080 0.000 1.294 50 C CA -0.164 58.917 59.018 0.104 0.000 1.957 50 C CB -0.122 27.604 27.740 -0.024 0.000 2.541 50 C HN 0.331 nan 8.230 nan 0.000 0.569 51 T N 6.277 120.890 114.554 0.099 0.000 2.728 51 T HA 0.372 4.722 4.350 -0.001 0.000 0.296 51 T C -0.098 174.630 174.700 0.048 0.000 0.940 51 T CA -0.200 61.943 62.100 0.071 0.000 1.013 51 T CB 0.472 69.389 68.868 0.082 0.000 0.912 51 T HN 0.599 nan 8.240 nan 0.000 0.484 52 V N 4.316 124.249 119.914 0.033 0.000 2.481 52 V HA 0.526 4.645 4.120 -0.001 0.000 0.286 52 V C 0.055 176.164 176.094 0.026 0.000 1.042 52 V CA -0.781 61.530 62.300 0.018 0.000 0.928 52 V CB 1.455 33.281 31.823 0.005 0.000 0.986 52 V HN 0.609 nan 8.190 nan 0.000 0.462 53 V N 2.928 122.853 119.914 0.019 0.000 2.483 53 V HA 0.339 4.458 4.120 -0.001 0.000 0.297 53 V C -0.609 175.499 176.094 0.023 0.000 1.027 53 V CA -0.535 61.784 62.300 0.033 0.000 0.855 53 V CB 1.788 33.644 31.823 0.054 0.000 0.995 53 V HN 0.970 nan 8.190 nan 0.000 0.424 54 D N 4.417 124.835 120.400 0.029 0.000 2.339 54 D HA 0.353 4.992 4.640 -0.001 0.000 0.241 54 D C 0.395 176.715 176.300 0.033 0.000 1.183 54 D CA 0.028 54.042 54.000 0.024 0.000 0.859 54 D CB 0.923 41.735 40.800 0.020 0.000 1.067 54 D HN 0.491 nan 8.370 nan 0.000 0.484 55 L N 2.977 124.218 121.223 0.031 0.000 3.017 55 L HA 0.178 4.518 4.340 -0.001 0.000 0.255 55 L C 0.516 177.412 176.870 0.044 0.000 1.247 55 L CA -0.489 54.378 54.840 0.044 0.000 1.038 55 L CB -0.232 41.857 42.059 0.050 0.000 1.380 55 L HN 0.334 nan 8.230 nan 0.000 0.548 56 S N -0.022 115.698 115.700 0.033 0.000 2.546 56 S HA 0.285 4.755 4.470 -0.001 0.000 0.290 56 S C 1.386 176.012 174.600 0.044 0.000 1.290 56 S CA 0.343 58.563 58.200 0.032 0.000 1.069 56 S CB 1.018 64.231 63.200 0.021 0.000 0.846 56 S HN 0.624 nan 8.310 nan 0.000 0.495 57 G N 1.913 110.745 108.800 0.055 0.000 2.179 57 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.260 57 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.260 57 G C -0.140 174.809 174.900 0.081 0.000 0.977 57 G CA 0.392 45.532 45.100 0.066 0.000 0.641 57 G HN 0.836 nan 8.290 nan 0.000 0.533 58 Q N -0.344 119.510 119.800 0.089 0.000 2.378 58 Q HA 0.756 5.096 4.340 -0.001 0.000 0.276 58 Q C 0.309 176.390 176.000 0.135 0.000 1.083 58 Q CA -0.871 54.991 55.803 0.098 0.000 0.856 58 Q CB 2.244 31.030 28.738 0.079 0.000 1.383 58 Q HN 0.629 nan 8.270 nan 0.000 0.458 59 I N -0.616 120.037 120.570 0.138 0.000 2.562 59 I HA 0.633 4.803 4.170 -0.001 0.000 0.301 59 I C -1.606 174.605 176.117 0.157 0.000 1.003 59 I CA -0.970 60.445 61.300 0.192 0.000 1.127 59 I CB 1.408 39.562 38.000 0.257 0.000 1.304 59 I HN 0.484 nan 8.210 nan 0.000 0.446 60 L N 7.874 129.206 121.223 0.183 0.000 2.385 60 L HA 0.737 5.076 4.340 -0.001 0.000 0.273 60 L C -0.583 176.389 176.870 0.170 0.000 0.990 60 L CA 0.103 55.022 54.840 0.132 0.000 0.821 60 L CB 1.361 43.470 42.059 0.083 0.000 1.279 60 L HN 1.066 nan 8.230 nan 0.000 0.412 61 C N 2.537 121.909 119.300 0.120 0.000 3.291 61 C HA 0.852 5.311 4.460 -0.001 0.000 0.316 61 C C -2.766 172.260 174.990 0.060 0.000 1.391 61 C CA -1.821 57.272 59.018 0.124 0.000 1.394 61 C CB 1.667 29.498 27.740 0.152 0.000 1.744 61 C HN 0.686 nan 8.230 nan 0.000 0.461 62 P HA 0.380 nan 4.420 nan 0.000 0.274 62 P C 0.302 177.601 177.300 -0.001 0.000 1.231 62 P CA 0.838 63.972 63.100 0.057 0.000 0.790 62 P CB 0.249 32.006 31.700 0.095 0.000 0.951 63 G N 1.619 110.413 108.800 -0.011 0.000 2.491 63 G HA2 0.271 4.231 3.960 -0.001 0.000 0.242 63 G HA3 0.271 4.231 3.960 -0.001 0.000 0.242 63 G C -0.531 174.403 174.900 0.057 0.000 1.266 63 G CA -0.283 44.766 45.100 -0.085 0.000 0.844 63 G HN 0.214 nan 8.290 nan 0.000 0.571 64 F N -0.155 119.828 119.950 0.056 0.000 2.450 64 F HA 0.397 4.924 4.527 -0.001 0.000 0.339 64 F C 0.940 176.782 175.800 0.070 0.000 1.146 64 F CA -0.980 57.055 58.000 0.058 0.000 1.267 64 F CB 0.818 39.849 39.000 0.053 0.000 1.178 64 F HN 0.132 nan 8.300 nan 0.000 0.585 65 I N 2.115 122.865 120.570 0.300 0.000 2.382 65 I HA 0.179 4.349 4.170 -0.001 0.000 0.285 65 I C -0.828 175.395 176.117 0.176 0.000 1.007 65 I CA -0.610 60.817 61.300 0.211 0.000 1.142 65 I CB 1.401 39.503 38.000 0.170 0.000 1.289 65 I HN 0.349 nan 8.210 nan 0.000 0.453 66 D N 6.214 126.725 120.400 0.185 0.000 2.427 66 D HA 0.135 4.775 4.640 -0.001 0.000 0.226 66 D C 0.569 176.981 176.300 0.186 0.000 1.076 66 D CA -0.372 53.737 54.000 0.183 0.000 0.849 66 D CB 1.171 42.113 40.800 0.236 0.000 1.052 66 D HN 0.586 nan 8.370 nan 0.000 0.515 67 Q N 2.218 122.115 119.800 0.161 0.000 2.247 67 Q HA 0.058 4.398 4.340 -0.001 0.000 0.205 67 Q C -0.417 175.676 176.000 0.157 0.000 0.896 67 Q CA 0.049 55.941 55.803 0.148 0.000 0.950 67 Q CB -0.008 28.803 28.738 0.121 0.000 1.054 67 Q HN 0.435 nan 8.270 nan 0.000 0.482 68 H N -0.301 118.822 119.070 0.088 0.000 2.699 68 H HA 0.452 5.008 4.556 -0.001 0.000 0.256 68 H C -1.870 173.519 175.328 0.102 0.000 1.376 68 H CA -0.483 55.600 56.048 0.060 0.000 1.549 68 H CB 0.870 30.655 29.762 0.039 0.000 1.686 68 H HN 0.079 nan 8.280 nan 0.000 0.550 69 V N 3.180 123.168 119.914 0.124 0.000 2.760 69 V HA 0.132 4.252 4.120 -0.001 0.000 0.309 69 V C 0.046 176.143 176.094 0.005 0.000 1.077 69 V CA -0.929 61.505 62.300 0.224 0.000 0.910 69 V CB 1.911 33.953 31.823 0.365 0.000 1.008 69 V HN 0.734 nan 8.190 nan 0.000 0.424 70 H N 5.450 124.627 119.070 0.179 0.000 2.970 70 H HA 0.232 4.788 4.556 -0.001 0.000 0.226 70 H C 1.233 176.638 175.328 0.129 0.000 1.909 70 H CA -0.058 56.061 56.048 0.119 0.000 1.388 70 H CB 0.294 30.111 29.762 0.090 0.000 1.773 70 H HN 0.551 nan 8.280 nan 0.000 0.559 71 L N 1.084 122.396 121.223 0.148 0.000 2.103 71 L HA -0.259 4.081 4.340 -0.001 0.000 0.215 71 L C 2.267 179.214 176.870 0.127 0.000 1.080 71 L CA 1.684 56.607 54.840 0.138 0.000 0.764 71 L CB -0.371 41.736 42.059 0.080 0.000 0.890 71 L HN 0.536 nan 8.230 nan 0.000 0.435 72 I N -3.226 117.413 120.570 0.116 0.000 3.883 72 I HA 0.482 4.651 4.170 -0.001 0.000 0.326 72 I C 0.805 176.984 176.117 0.103 0.000 1.283 72 I CA 0.229 61.588 61.300 0.098 0.000 1.161 72 I CB -0.038 38.011 38.000 0.082 0.000 1.012 72 I HN 0.168 nan 8.210 nan 0.000 0.421 73 G N 0.211 109.092 108.800 0.134 0.000 2.515 73 G HA2 0.299 4.259 3.960 -0.001 0.000 0.686 73 G HA3 0.299 4.259 3.960 -0.001 0.000 0.686 73 G C -0.580 174.380 174.900 0.099 0.000 1.274 73 G CA -0.605 44.556 45.100 0.101 0.000 0.874 73 G HN 0.683 nan 8.290 nan 0.000 0.631 74 G N -1.310 107.495 108.800 0.008 0.000 3.100 74 G HA2 1.034 4.994 3.960 -0.001 0.000 0.174 74 G HA3 1.034 4.994 3.960 -0.001 0.000 0.174 74 G C 1.133 175.966 174.900 -0.112 0.000 1.136 74 G CA 1.319 46.369 45.100 -0.084 0.000 0.881 74 G HN 2.779 nan 8.290 nan 0.000 0.616 75 G N -1.385 107.306 108.800 -0.182 0.000 2.601 75 G HA2 0.353 4.313 3.960 -0.001 0.000 0.252 75 G HA3 0.353 4.313 3.960 -0.001 0.000 0.252 75 G C 1.426 176.268 174.900 -0.096 0.000 1.294 75 G CA 1.612 46.636 45.100 -0.126 0.000 0.912 75 G HN 2.684 nan 8.290 nan 0.000 0.574 76 G N -2.417 106.347 108.800 -0.059 0.000 2.218 76 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.216 76 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.216 76 G C 0.806 175.696 174.900 -0.017 0.000 0.994 76 G CA 0.985 46.060 45.100 -0.040 0.000 0.637 76 G HN 1.411 nan 8.290 nan 0.000 0.505 77 E N 0.401 120.600 120.200 -0.002 0.000 2.393 77 E HA 0.259 4.608 4.350 -0.001 0.000 0.201 77 E C 1.855 178.489 176.600 0.056 0.000 1.025 77 E CA 1.354 57.799 56.400 0.074 0.000 0.856 77 E CB -0.055 29.760 29.700 0.191 0.000 0.771 77 E HN 1.079 nan 8.360 nan 0.000 0.526 78 A N 0.027 122.852 122.820 0.007 0.000 2.812 78 A HA 0.621 4.941 4.320 -0.001 0.000 0.294 78 A C 0.397 177.981 177.584 0.001 0.000 1.014 78 A CA 0.045 52.082 52.037 -0.000 0.000 1.024 78 A CB -0.240 18.741 19.000 -0.031 0.000 1.162 78 A HN 0.174 nan 8.150 nan 0.000 0.511 79 G N 0.273 109.076 108.800 0.005 0.000 2.699 79 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.686 79 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.686 79 G C -1.791 173.106 174.900 -0.005 0.000 1.301 79 G CA -0.282 44.818 45.100 0.001 0.000 0.816 79 G HN 0.073 nan 8.290 nan 0.000 0.595 80 P HA -0.101 nan 4.420 nan 0.000 0.219 80 P C 2.084 179.381 177.300 -0.005 0.000 1.146 80 P CA 2.624 65.721 63.100 -0.004 0.000 0.808 80 P CB -0.242 31.457 31.700 -0.001 0.000 0.779 81 T N -3.719 110.832 114.554 -0.005 0.000 3.007 81 T HA -0.078 4.272 4.350 -0.001 0.000 0.270 81 T C 1.317 176.013 174.700 -0.007 0.000 1.107 81 T CA 1.558 63.655 62.100 -0.005 0.000 1.118 81 T CB -1.534 67.331 68.868 -0.004 0.000 0.889 81 T HN 0.232 nan 8.240 nan 0.000 0.506 82 T N -0.696 113.851 114.554 -0.011 0.000 3.244 82 T HA 0.338 4.687 4.350 -0.001 0.000 0.254 82 T C 0.434 175.120 174.700 -0.023 0.000 1.024 82 T CA -0.788 61.301 62.100 -0.017 0.000 0.920 82 T CB -0.427 68.427 68.868 -0.023 0.000 1.042 82 T HN 0.307 nan 8.240 nan 0.000 0.572 83 R N 3.156 123.646 120.500 -0.017 0.000 2.288 83 R HA 0.319 4.658 4.340 -0.001 0.000 0.330 83 R C 0.871 177.166 176.300 -0.009 0.000 1.069 83 R CA -0.206 55.884 56.100 -0.017 0.000 0.941 83 R CB 0.438 30.734 30.300 -0.006 0.000 0.998 83 R HN 0.535 nan 8.270 nan 0.000 0.452 84 T N 1.259 115.804 114.554 -0.017 0.000 2.748 84 T HA 0.300 4.650 4.350 -0.001 0.000 0.304 84 T C -1.941 172.772 174.700 0.022 0.000 1.041 84 T CA -1.435 60.663 62.100 -0.002 0.000 1.033 84 T CB 0.856 69.714 68.868 -0.017 0.000 0.995 84 T HN 0.262 nan 8.240 nan 0.000 0.536 85 P HA 0.292 nan 4.420 nan 0.000 0.280 85 P C -0.219 177.127 177.300 0.077 0.000 1.272 85 P CA -0.768 62.362 63.100 0.050 0.000 0.819 85 P CB 0.439 32.168 31.700 0.048 0.000 1.122 86 E N -0.314 119.934 120.200 0.080 0.000 2.409 86 E HA 0.211 4.560 4.350 -0.001 0.000 0.257 86 E C -0.744 175.930 176.600 0.123 0.000 1.150 86 E CA -0.749 55.710 56.400 0.099 0.000 0.942 86 E CB 0.259 30.010 29.700 0.084 0.000 0.979 86 E HN 0.023 nan 8.360 nan 0.000 0.447 87 V N 1.257 121.259 119.914 0.146 0.000 2.546 87 V HA 0.425 4.545 4.120 -0.001 0.000 0.284 87 V C 0.185 176.346 176.094 0.113 0.000 1.050 87 V CA -0.105 62.303 62.300 0.180 0.000 0.981 87 V CB 0.977 32.942 31.823 0.236 0.000 0.990 87 V HN 0.806 nan 8.190 nan 0.000 0.474 88 A N 3.961 126.843 122.820 0.104 0.000 2.305 88 A HA 0.588 4.907 4.320 -0.001 0.000 0.322 88 A C 0.707 178.299 177.584 0.013 0.000 1.187 88 A CA -0.528 51.545 52.037 0.059 0.000 0.825 88 A CB 0.891 19.930 19.000 0.065 0.000 1.164 88 A HN 0.914 nan 8.150 nan 0.000 0.498 89 L N 3.507 124.724 121.223 -0.010 0.000 1.997 89 L HA -0.303 4.036 4.340 -0.001 0.000 0.227 89 L C 2.727 179.564 176.870 -0.056 0.000 1.087 89 L CA 3.432 58.245 54.840 -0.045 0.000 0.797 89 L CB -0.597 41.435 42.059 -0.046 0.000 0.902 89 L HN 0.925 nan 8.230 nan 0.000 0.441 90 S N -1.131 114.550 115.700 -0.031 0.000 2.419 90 S HA -0.224 4.245 4.470 -0.001 0.000 0.235 90 S C 2.101 176.688 174.600 -0.022 0.000 1.019 90 S CA 0.966 59.150 58.200 -0.028 0.000 0.982 90 S CB -0.703 62.491 63.200 -0.010 0.000 0.789 90 S HN 0.496 nan 8.310 nan 0.000 0.490 91 R N 0.975 121.472 120.500 -0.005 0.000 2.120 91 R HA 0.148 4.487 4.340 -0.001 0.000 0.234 91 R C 2.282 178.525 176.300 -0.095 0.000 1.123 91 R CA 1.105 57.223 56.100 0.031 0.000 0.975 91 R CB -1.017 29.367 30.300 0.141 0.000 0.866 91 R HN 0.499 nan 8.270 nan 0.000 0.446 92 L N 0.064 121.144 121.223 -0.239 0.000 2.007 92 L HA -0.146 4.193 4.340 -0.001 0.000 0.205 92 L C 2.724 179.488 176.870 -0.177 0.000 1.073 92 L CA 1.889 56.500 54.840 -0.381 0.000 0.744 92 L CB -1.038 40.804 42.059 -0.362 0.000 0.898 92 L HN 0.274 nan 8.230 nan 0.000 0.435 93 T N -2.577 111.905 114.554 -0.119 0.000 2.684 93 T HA -0.260 4.090 4.350 -0.001 0.000 0.267 93 T C 1.622 176.285 174.700 -0.062 0.000 1.036 93 T CA 1.582 63.631 62.100 -0.086 0.000 1.148 93 T CB -0.554 68.265 68.868 -0.083 0.000 0.863 93 T HN 0.329 nan 8.240 nan 0.000 0.436 94 E N 1.600 121.776 120.200 -0.040 0.000 2.209 94 E HA -0.022 4.327 4.350 -0.001 0.000 0.196 94 E C 2.246 178.859 176.600 0.022 0.000 0.993 94 E CA 0.994 57.389 56.400 -0.010 0.000 0.819 94 E CB -0.295 29.410 29.700 0.010 0.000 0.745 94 E HN 0.745 nan 8.360 nan 0.000 0.477 95 A N -0.186 122.658 122.820 0.041 0.000 2.251 95 A HA 0.307 4.626 4.320 -0.001 0.000 0.209 95 A C 1.577 179.254 177.584 0.154 0.000 1.187 95 A CA 0.702 52.816 52.037 0.127 0.000 0.823 95 A CB 0.001 19.119 19.000 0.197 0.000 0.846 95 A HN 0.307 nan 8.150 nan 0.000 0.486 96 G N -1.464 107.341 108.800 0.010 0.000 2.141 96 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.242 96 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.242 96 G C 0.071 174.913 174.900 -0.096 0.000 0.982 96 G CA 0.065 45.068 45.100 -0.163 0.000 0.662 96 G HN 0.747 nan 8.290 nan 0.000 0.527 97 V N 1.907 121.838 119.914 0.028 0.000 2.408 97 V HA 0.494 4.613 4.120 -0.001 0.000 0.267 97 V C 1.511 177.604 176.094 -0.002 0.000 1.047 97 V CA 0.894 63.232 62.300 0.063 0.000 0.937 97 V CB 1.082 32.902 31.823 -0.005 0.000 0.999 97 V HN 0.617 nan 8.190 nan 0.000 0.472 98 T N 0.031 114.608 114.554 0.038 0.000 2.990 98 T HA 0.207 4.556 4.350 -0.001 0.000 0.250 98 T C 0.642 175.378 174.700 0.060 0.000 1.041 98 T CA -0.100 62.015 62.100 0.025 0.000 1.010 98 T CB 0.403 69.287 68.868 0.027 0.000 1.003 98 T HN 0.445 nan 8.240 nan 0.000 0.499 99 S N 0.430 116.201 115.700 0.117 0.000 2.571 99 S HA 0.743 5.212 4.470 -0.001 0.000 0.284 99 S C -1.434 173.286 174.600 0.200 0.000 1.128 99 S CA -0.631 57.687 58.200 0.197 0.000 0.970 99 S CB 2.429 65.812 63.200 0.306 0.000 1.039 99 S HN 0.288 nan 8.310 nan 0.000 0.485 100 V N 3.777 123.818 119.914 0.212 0.000 2.925 100 V HA 0.718 4.838 4.120 -0.001 0.000 0.311 100 V C -1.462 174.794 176.094 0.269 0.000 1.104 100 V CA -0.491 61.926 62.300 0.194 0.000 0.954 100 V CB 2.254 34.131 31.823 0.090 0.000 1.022 100 V HN 0.638 nan 8.190 nan 0.000 0.427 101 V N 5.371 125.417 119.914 0.221 0.000 2.350 101 V HA 0.688 4.808 4.120 -0.001 0.000 0.285 101 V C 0.739 176.888 176.094 0.091 0.000 1.014 101 V CA 0.023 62.441 62.300 0.197 0.000 0.831 101 V CB 1.198 33.112 31.823 0.151 0.000 1.000 101 V HN 1.042 nan 8.190 nan 0.000 0.433 102 G N 4.853 113.693 108.800 0.066 0.000 2.420 102 G HA2 0.708 4.667 3.960 -0.001 0.000 0.284 102 G HA3 0.708 4.667 3.960 -0.001 0.000 0.284 102 G C -0.986 173.871 174.900 -0.071 0.000 1.177 102 G CA -0.270 44.828 45.100 -0.002 0.000 0.841 102 G HN 0.716 nan 8.290 nan 0.000 0.527 103 L N -0.791 120.326 121.223 -0.177 0.000 2.720 103 L HA 0.709 5.049 4.340 -0.001 0.000 0.261 103 L C -0.685 176.057 176.870 -0.212 0.000 1.046 103 L CA -1.256 53.464 54.840 -0.200 0.000 0.886 103 L CB 0.951 42.835 42.059 -0.291 0.000 1.493 103 L HN 0.411 nan 8.230 nan 0.000 0.407 104 L N -0.467 120.706 121.223 -0.084 0.000 2.313 104 L HA 0.971 5.310 4.340 -0.001 0.000 0.268 104 L C 0.585 177.524 176.870 0.114 0.000 1.010 104 L CA -0.197 54.664 54.840 0.035 0.000 0.814 104 L CB 1.678 43.744 42.059 0.012 0.000 1.304 104 L HN 0.993 nan 8.230 nan 0.000 0.441 105 G N -0.761 108.098 108.800 0.097 0.000 3.364 105 G HA2 0.187 4.147 3.960 -0.001 0.000 0.191 105 G HA3 0.187 4.147 3.960 -0.001 0.000 0.191 105 G C 0.680 175.107 174.900 -0.788 0.000 1.352 105 G CA 0.458 45.472 45.100 -0.143 0.000 0.758 105 G HN 0.493 nan 8.290 nan 0.000 0.730 106 T N 0.745 114.556 114.554 -1.237 0.000 2.635 106 T HA -0.073 4.277 4.350 -0.001 0.000 0.267 106 T C 0.743 175.193 174.700 -0.417 0.000 1.040 106 T CA 1.707 63.181 62.100 -1.043 0.000 1.156 106 T CB -0.255 68.224 68.868 -0.649 0.000 0.863 106 T HN 0.380 nan 8.240 nan 0.000 0.430 107 D N 1.456 121.684 120.400 -0.286 0.000 2.313 107 D HA 0.232 4.872 4.640 -0.001 0.000 0.239 107 D C 0.103 176.312 176.300 -0.151 0.000 1.142 107 D CA -0.361 53.538 54.000 -0.169 0.000 0.847 107 D CB 0.706 41.430 40.800 -0.126 0.000 1.082 107 D HN 0.231 nan 8.370 nan 0.000 0.480 108 S N 3.270 118.881 115.700 -0.149 0.000 2.809 108 S HA 0.209 4.678 4.470 -0.001 0.000 0.248 108 S C 0.969 175.413 174.600 -0.260 0.000 1.071 108 S CA -0.579 57.511 58.200 -0.185 0.000 1.059 108 S CB -0.027 63.100 63.200 -0.121 0.000 0.923 108 S HN 0.448 nan 8.310 nan 0.000 0.516 109 I N 1.749 122.182 120.570 -0.228 0.000 3.565 109 I HA 0.137 4.306 4.170 -0.001 0.000 0.287 109 I C 2.110 178.111 176.117 -0.193 0.000 1.193 109 I CA 0.974 62.157 61.300 -0.196 0.000 1.402 109 I CB -0.823 37.116 38.000 -0.102 0.000 1.284 109 I HN 0.564 nan 8.210 nan 0.000 0.454 110 S N 0.578 116.199 115.700 -0.131 0.000 2.539 110 S HA 0.271 4.741 4.470 -0.001 0.000 0.221 110 S C 0.696 175.304 174.600 0.014 0.000 0.987 110 S CA -0.375 57.834 58.200 0.014 0.000 0.929 110 S CB 0.345 63.561 63.200 0.028 0.000 0.832 110 S HN 0.086 nan 8.310 nan 0.000 0.492 111 R N 2.132 122.497 120.500 -0.224 0.000 2.494 111 R HA 0.527 4.867 4.340 -0.001 0.000 0.305 111 R C -0.889 175.169 176.300 -0.403 0.000 0.959 111 R CA -0.319 55.705 56.100 -0.127 0.000 0.864 111 R CB 0.782 31.044 30.300 -0.063 0.000 1.159 111 R HN 0.490 nan 8.270 nan 0.000 0.446 112 H N 2.234 121.304 119.070 -0.000 0.000 2.717 112 H HA 0.227 4.783 4.556 -0.001 0.000 0.366 112 H C -1.811 173.519 175.328 0.003 0.000 1.132 112 H CA -1.865 54.181 56.048 -0.002 0.000 1.180 112 H CB 2.486 32.245 29.762 -0.004 0.000 1.678 112 H HN 0.152 nan 8.280 nan 0.000 0.537 113 P HA -0.123 nan 4.420 nan 0.000 0.218 113 P C 0.932 178.271 177.300 0.066 0.000 1.149 113 P CA 1.128 64.264 63.100 0.060 0.000 0.817 113 P CB 0.507 32.231 31.700 0.040 0.000 0.785 114 E N -0.354 119.895 120.200 0.081 0.000 2.153 114 E HA -0.106 4.244 4.350 -0.001 0.000 0.194 114 E C 2.091 178.717 176.600 0.043 0.000 0.988 114 E CA 1.427 57.856 56.400 0.048 0.000 0.811 114 E CB -0.824 28.894 29.700 0.030 0.000 0.746 114 E HN 0.241 nan 8.360 nan 0.000 0.466 115 S N 0.591 116.332 115.700 0.069 0.000 2.371 115 S HA -0.094 4.376 4.470 -0.001 0.000 0.224 115 S C 1.833 176.462 174.600 0.048 0.000 1.029 115 S CA 0.632 58.864 58.200 0.054 0.000 0.978 115 S CB -0.303 62.942 63.200 0.076 0.000 0.833 115 S HN 0.151 nan 8.310 nan 0.000 0.466 116 L N 1.983 123.239 121.223 0.055 0.000 2.042 116 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 116 L C 2.106 178.991 176.870 0.025 0.000 1.076 116 L CA 1.485 56.349 54.840 0.041 0.000 0.749 116 L CB -0.865 41.215 42.059 0.035 0.000 0.893 116 L HN 0.318 nan 8.230 nan 0.000 0.432 117 L N -0.258 120.980 121.223 0.024 0.000 2.046 117 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 117 L C 2.466 179.336 176.870 0.000 0.000 1.077 117 L CA 2.037 56.884 54.840 0.011 0.000 0.747 117 L CB -0.941 41.127 42.059 0.014 0.000 0.896 117 L HN 0.272 nan 8.230 nan 0.000 0.432 118 A N -0.439 122.386 122.820 0.007 0.000 1.902 118 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 118 A C 2.343 179.926 177.584 -0.001 0.000 1.181 118 A CA 1.894 53.932 52.037 0.002 0.000 0.623 118 A CB -0.614 18.391 19.000 0.009 0.000 0.818 118 A HN 0.456 nan 8.150 nan 0.000 0.443 119 K N -0.308 120.098 120.400 0.009 0.000 2.097 119 K HA -0.082 4.238 4.320 -0.001 0.000 0.206 119 K C 1.900 178.491 176.600 -0.015 0.000 1.049 119 K CA 2.216 58.509 56.287 0.010 0.000 0.933 119 K CB -0.862 31.655 32.500 0.030 0.000 0.717 119 K HN 0.377 nan 8.250 nan 0.000 0.442 120 T N 0.646 115.185 114.554 -0.024 0.000 2.720 120 T HA -0.102 4.247 4.350 -0.001 0.000 0.268 120 T C 1.774 176.415 174.700 -0.099 0.000 1.037 120 T CA 1.554 63.617 62.100 -0.062 0.000 1.144 120 T CB -0.174 68.659 68.868 -0.058 0.000 0.864 120 T HN 0.300 nan 8.240 nan 0.000 0.444 121 R N 0.881 121.336 120.500 -0.075 0.000 2.092 121 R HA 0.105 4.444 4.340 -0.001 0.000 0.231 121 R C 2.852 179.108 176.300 -0.074 0.000 1.119 121 R CA 1.132 57.183 56.100 -0.082 0.000 0.970 121 R CB -0.447 29.819 30.300 -0.056 0.000 0.864 121 R HN 0.348 nan 8.270 nan 0.000 0.440 122 A N 1.451 124.240 122.820 -0.052 0.000 1.902 122 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 122 A C 2.181 179.727 177.584 -0.063 0.000 1.181 122 A CA 1.185 53.194 52.037 -0.046 0.000 0.623 122 A CB -0.532 18.456 19.000 -0.021 0.000 0.818 122 A HN 0.170 nan 8.150 nan 0.000 0.443 123 L N -0.346 120.835 121.223 -0.069 0.000 2.093 123 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 123 L C 2.303 179.107 176.870 -0.110 0.000 1.085 123 L CA 1.102 55.892 54.840 -0.083 0.000 0.755 123 L CB -0.617 41.394 42.059 -0.080 0.000 0.904 123 L HN 0.412 nan 8.230 nan 0.000 0.435 124 N N -0.016 118.601 118.700 -0.139 0.000 2.188 124 N HA -0.222 4.518 4.740 -0.001 0.000 0.184 124 N C 1.764 177.207 175.510 -0.112 0.000 1.018 124 N CA 1.200 54.155 53.050 -0.159 0.000 0.858 124 N CB -0.010 38.358 38.487 -0.198 0.000 0.989 124 N HN 0.431 nan 8.380 nan 0.000 0.426 125 E N 1.007 121.150 120.200 -0.094 0.000 2.208 125 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 125 E C 1.129 177.685 176.600 -0.075 0.000 0.988 125 E CA 0.657 57.010 56.400 -0.077 0.000 0.828 125 E CB 0.180 29.838 29.700 -0.069 0.000 0.763 125 E HN 0.358 nan 8.360 nan 0.000 0.478 126 E N -1.416 118.737 120.200 -0.078 0.000 2.274 126 E HA -0.031 4.318 4.350 -0.001 0.000 0.194 126 E C 1.138 177.696 176.600 -0.071 0.000 0.996 126 E CA 0.699 57.053 56.400 -0.077 0.000 0.840 126 E CB 0.419 30.073 29.700 -0.077 0.000 0.772 126 E HN 0.422 nan 8.360 nan 0.000 0.491 127 G N 0.279 109.036 108.800 -0.072 0.000 3.259 127 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.217 127 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.217 127 G C 0.344 175.207 174.900 -0.061 0.000 0.993 127 G CA 0.025 45.088 45.100 -0.061 0.000 0.836 127 G HN 0.209 nan 8.290 nan 0.000 0.514 128 I N -0.824 119.700 120.570 -0.075 0.000 4.011 128 I HA 0.902 5.072 4.170 -0.001 0.000 0.258 128 I C 0.049 176.096 176.117 -0.116 0.000 1.393 128 I CA -1.218 60.038 61.300 -0.072 0.000 1.045 128 I CB 1.500 39.463 38.000 -0.063 0.000 1.523 128 I HN -0.085 nan 8.210 nan 0.000 0.613 129 S N 0.797 116.422 115.700 -0.124 0.000 2.478 129 S HA 0.830 5.299 4.470 -0.001 0.000 0.312 129 S C -0.619 173.745 174.600 -0.393 0.000 1.094 129 S CA -0.545 57.482 58.200 -0.288 0.000 1.081 129 S CB 1.367 64.477 63.200 -0.150 0.000 1.007 129 S HN 0.875 nan 8.310 nan 0.000 0.475 130 A N 3.278 125.691 122.820 -0.679 0.000 2.449 130 A HA 0.853 5.172 4.320 -0.001 0.000 0.302 130 A C -1.398 175.766 177.584 -0.699 0.000 1.048 130 A CA -0.739 51.024 52.037 -0.457 0.000 0.708 130 A CB 1.293 20.155 19.000 -0.230 0.000 1.274 130 A HN 0.775 nan 8.150 nan 0.000 0.410 131 W N 0.675 121.979 121.300 0.006 0.000 3.055 131 W HA 0.731 5.391 4.660 -0.000 0.000 0.340 131 W C -0.252 176.264 176.519 -0.005 0.000 1.180 131 W CA -0.470 56.876 57.345 0.001 0.000 1.077 131 W CB 2.031 31.493 29.460 0.004 0.000 1.479 131 W HN 0.948 nan 8.180 nan 0.000 0.593 132 M N 0.468 120.219 119.600 0.251 0.000 2.644 132 M HA 0.650 5.129 4.480 -0.001 0.000 0.273 132 M C -2.185 174.165 176.300 0.083 0.000 1.253 132 M CA -0.903 54.467 55.300 0.117 0.000 0.852 132 M CB 2.576 35.213 32.600 0.060 0.000 1.708 132 M HN 0.227 nan 8.290 nan 0.000 0.471 133 L N 0.975 122.212 121.223 0.024 0.000 2.325 133 L HA 0.607 4.947 4.340 -0.001 0.000 0.278 133 L C 0.226 177.093 176.870 -0.005 0.000 1.023 133 L CA -0.727 54.111 54.840 -0.003 0.000 0.811 133 L CB 1.964 43.997 42.059 -0.044 0.000 1.249 133 L HN 0.912 nan 8.230 nan 0.000 0.431 134 T N 0.715 115.266 114.554 -0.006 0.000 2.824 134 T HA 0.663 5.013 4.350 -0.001 0.000 0.277 134 T C 0.289 174.983 174.700 -0.011 0.000 0.975 134 T CA 0.785 62.884 62.100 -0.002 0.000 0.966 134 T CB 1.263 70.133 68.868 0.003 0.000 1.054 134 T HN 0.975 nan 8.240 nan 0.000 0.533 135 G N 0.392 109.192 108.800 0.000 0.000 2.632 135 G HA2 0.399 4.359 3.960 -0.001 0.000 0.224 135 G HA3 0.399 4.359 3.960 -0.001 0.000 0.224 135 G C -0.178 174.734 174.900 0.019 0.000 1.341 135 G CA -0.256 44.849 45.100 0.009 0.000 0.880 135 G HN 1.721 nan 8.290 nan 0.000 0.566 136 A N -3.759 119.091 122.820 0.049 0.000 3.287 136 A HA 0.707 5.027 4.320 -0.001 0.000 0.299 136 A C 0.498 178.189 177.584 0.178 0.000 1.086 136 A CA 0.701 52.795 52.037 0.095 0.000 0.586 136 A CB -0.603 18.429 19.000 0.055 0.000 1.539 136 A HN 1.526 nan 8.150 nan 0.000 0.694 137 Y N 1.035 121.325 120.300 -0.016 0.000 2.200 137 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 137 Y C 1.534 177.414 175.900 -0.034 0.000 1.137 137 Y CA 1.584 59.654 58.100 -0.051 0.000 1.163 137 Y CB -0.614 37.784 38.460 -0.103 0.000 0.988 137 Y HN 0.603 nan 8.280 nan 0.000 0.518 138 H N 0.765 119.897 119.070 0.104 0.000 3.034 138 H HA 0.171 4.726 4.556 -0.001 0.000 0.324 138 H C -0.928 174.403 175.328 0.005 0.000 1.015 138 H CA 0.509 56.575 56.048 0.031 0.000 1.429 138 H CB 0.511 30.274 29.762 0.001 0.000 1.429 138 H HN -0.133 nan 8.280 nan 0.000 0.585 139 V N 8.827 128.451 119.914 -0.483 0.000 2.577 139 V HA 0.208 4.328 4.120 -0.001 0.000 0.303 139 V C -2.037 173.813 176.094 -0.408 0.000 1.042 139 V CA -1.535 60.611 62.300 -0.256 0.000 0.872 139 V CB 1.943 33.672 31.823 -0.158 0.000 0.998 139 V HN 0.762 nan 8.190 nan 0.000 0.423 140 P HA 0.195 nan 4.420 nan 0.000 0.271 140 P C -0.077 177.334 177.300 0.185 0.000 1.218 140 P CA -0.045 63.099 63.100 0.073 0.000 0.780 140 P CB 0.562 32.347 31.700 0.140 0.000 0.901 141 S N 2.448 118.213 115.700 0.108 0.000 2.558 141 S HA 0.055 4.525 4.470 -0.001 0.000 0.288 141 S C 0.565 175.217 174.600 0.086 0.000 1.318 141 S CA -0.185 58.071 58.200 0.093 0.000 1.056 141 S CB -0.057 63.164 63.200 0.035 0.000 0.853 141 S HN 0.282 nan 8.310 nan 0.000 0.505 142 R N 2.341 122.878 120.500 0.061 0.000 2.198 142 R HA 0.322 4.661 4.340 -0.001 0.000 0.339 142 R C 0.504 176.813 176.300 0.016 0.000 1.020 142 R CA -0.324 55.786 56.100 0.016 0.000 0.864 142 R CB 0.798 31.078 30.300 -0.033 0.000 1.105 142 R HN 0.794 nan 8.270 nan 0.000 0.463 143 T N -1.600 112.967 114.554 0.020 0.000 2.870 143 T HA 0.437 4.786 4.350 -0.001 0.000 0.277 143 T C 1.276 175.991 174.700 0.025 0.000 1.000 143 T CA -0.800 61.312 62.100 0.021 0.000 0.982 143 T CB 0.956 69.836 68.868 0.020 0.000 1.249 143 T HN 0.342 nan 8.240 nan 0.000 0.589 144 I N 0.610 121.195 120.570 0.025 0.000 2.628 144 I HA 0.032 4.201 4.170 -0.001 0.000 0.255 144 I C 2.632 178.763 176.117 0.022 0.000 1.119 144 I CA 1.074 62.389 61.300 0.027 0.000 1.448 144 I CB -0.076 37.939 38.000 0.025 0.000 1.133 144 I HN 0.933 nan 8.210 nan 0.000 0.438 145 T N -2.662 111.903 114.554 0.019 0.000 3.060 145 T HA 0.360 4.709 4.350 -0.001 0.000 0.249 145 T C 1.516 176.227 174.700 0.018 0.000 1.079 145 T CA 0.462 62.572 62.100 0.017 0.000 1.013 145 T CB 0.689 69.566 68.868 0.015 0.000 0.975 145 T HN 0.474 nan 8.240 nan 0.000 0.518 146 G N 0.611 109.423 108.800 0.020 0.000 2.213 146 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.226 146 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.226 146 G C 0.125 175.039 174.900 0.023 0.000 0.992 146 G CA 0.147 45.261 45.100 0.022 0.000 0.632 146 G HN 1.220 nan 8.290 nan 0.000 0.511 147 S N -1.002 114.709 115.700 0.019 0.000 2.547 147 S HA 0.638 5.108 4.470 -0.001 0.000 0.281 147 S C 1.292 175.898 174.600 0.010 0.000 1.118 147 S CA 0.346 58.556 58.200 0.016 0.000 0.947 147 S CB 2.046 65.255 63.200 0.014 0.000 1.053 147 S HN 0.760 nan 8.310 nan 0.000 0.482 148 V N 4.169 124.086 119.914 0.005 0.000 2.295 148 V HA -0.117 4.003 4.120 -0.001 0.000 0.246 148 V C 2.616 178.706 176.094 -0.006 0.000 1.049 148 V CA 2.483 64.781 62.300 -0.004 0.000 1.024 148 V CB -0.885 30.929 31.823 -0.015 0.000 0.648 148 V HN 1.027 nan 8.190 nan 0.000 0.447 149 E N 0.173 120.369 120.200 -0.007 0.000 2.070 149 E HA -0.325 4.025 4.350 -0.001 0.000 0.197 149 E C 2.313 178.913 176.600 -0.001 0.000 1.004 149 E CA 1.976 58.372 56.400 -0.007 0.000 0.805 149 E CB -0.130 29.567 29.700 -0.005 0.000 0.744 149 E HN 0.560 nan 8.360 nan 0.000 0.451 150 K N 0.129 120.531 120.400 0.003 0.000 2.097 150 K HA -0.172 4.147 4.320 -0.001 0.000 0.205 150 K C 1.590 178.195 176.600 0.008 0.000 1.050 150 K CA 1.787 58.078 56.287 0.007 0.000 0.938 150 K CB 0.054 32.559 32.500 0.009 0.000 0.718 150 K HN 0.059 nan 8.250 nan 0.000 0.442 151 D N 0.097 120.502 120.400 0.009 0.000 2.097 151 D HA -0.143 4.497 4.640 -0.001 0.000 0.195 151 D C 1.854 178.161 176.300 0.013 0.000 0.989 151 D CA 1.206 55.213 54.000 0.012 0.000 0.827 151 D CB -0.128 40.680 40.800 0.012 0.000 0.966 151 D HN 0.005 nan 8.370 nan 0.000 0.456 152 V N 0.813 120.730 119.914 0.005 0.000 2.427 152 V HA -0.175 3.945 4.120 -0.001 0.000 0.248 152 V C 2.336 178.433 176.094 0.006 0.000 1.051 152 V CA 1.711 64.013 62.300 0.003 0.000 1.048 152 V CB -0.672 31.145 31.823 -0.011 0.000 0.666 152 V HN 0.198 nan 8.190 nan 0.000 0.456 153 A N 0.408 123.230 122.820 0.004 0.000 1.897 153 A HA -0.056 4.264 4.320 -0.001 0.000 0.215 153 A C 2.125 179.716 177.584 0.011 0.000 1.181 153 A CA 1.851 53.890 52.037 0.004 0.000 0.620 153 A CB -0.345 18.656 19.000 0.002 0.000 0.821 153 A HN 0.688 nan 8.150 nan 0.000 0.443 154 I N -3.880 116.698 120.570 0.013 0.000 4.035 154 I HA 0.328 4.498 4.170 -0.001 0.000 0.321 154 I C -0.474 175.655 176.117 0.020 0.000 1.289 154 I CA -0.211 61.098 61.300 0.015 0.000 1.236 154 I CB 0.356 38.363 38.000 0.012 0.000 1.076 154 I HN -0.108 nan 8.210 nan 0.000 0.418 155 I N 4.427 125.012 120.570 0.025 0.000 2.312 155 I HA 0.073 4.242 4.170 -0.001 0.000 0.291 155 I C 1.083 177.226 176.117 0.044 0.000 1.031 155 I CA -0.126 61.191 61.300 0.029 0.000 1.293 155 I CB 0.792 38.808 38.000 0.028 0.000 1.403 155 I HN 0.333 nan 8.210 nan 0.000 0.484 156 D N 7.227 127.652 120.400 0.042 0.000 2.149 156 D HA -0.261 4.379 4.640 -0.001 0.000 0.194 156 D C 1.246 177.608 176.300 0.103 0.000 1.001 156 D CA 1.526 55.563 54.000 0.062 0.000 0.849 156 D CB 0.060 40.887 40.800 0.045 0.000 0.939 156 D HN 0.350 nan 8.370 nan 0.000 0.449 157 R N 0.358 120.906 120.500 0.079 0.000 2.276 157 R HA 0.180 4.519 4.340 -0.001 0.000 0.203 157 R C 0.368 176.790 176.300 0.204 0.000 1.017 157 R CA -0.178 55.997 56.100 0.124 0.000 1.010 157 R CB -0.759 29.546 30.300 0.009 0.000 0.900 157 R HN 0.198 nan 8.270 nan 0.000 0.469 158 V N 3.513 123.502 119.914 0.125 0.000 2.508 158 V HA 0.075 4.195 4.120 -0.001 0.000 0.281 158 V C 1.672 177.818 176.094 0.087 0.000 1.041 158 V CA 0.038 62.397 62.300 0.097 0.000 1.016 158 V CB 0.950 32.804 31.823 0.050 0.000 0.984 158 V HN 0.225 nan 8.190 nan 0.000 0.478 159 I N 1.570 122.179 120.570 0.065 0.000 4.154 159 I HA 0.720 4.890 4.170 -0.001 0.000 0.334 159 I C 0.675 176.769 176.117 -0.040 0.000 1.371 159 I CA 0.295 61.589 61.300 -0.010 0.000 1.110 159 I CB 0.626 38.576 38.000 -0.083 0.000 1.085 159 I HN 0.663 nan 8.210 nan 0.000 0.398 160 G N 0.621 109.408 108.800 -0.022 0.000 2.341 160 G HA2 0.442 4.401 3.960 -0.001 0.000 0.299 160 G HA3 0.442 4.401 3.960 -0.001 0.000 0.299 160 G C -2.007 172.869 174.900 -0.040 0.000 1.274 160 G CA -0.100 44.975 45.100 -0.041 0.000 0.853 160 G HN -0.022 nan 8.290 nan 0.000 0.493 161 V N -0.266 119.608 119.914 -0.067 0.000 2.876 161 V HA 0.844 4.963 4.120 -0.001 0.000 0.312 161 V C -0.790 175.229 176.094 -0.126 0.000 1.085 161 V CA -0.791 61.461 62.300 -0.081 0.000 0.945 161 V CB 1.987 33.759 31.823 -0.084 0.000 1.017 161 V HN 1.089 nan 8.190 nan 0.000 0.428 162 K N 4.618 124.956 120.400 -0.103 0.000 2.156 162 K HA 0.895 5.215 4.320 -0.001 0.000 0.250 162 K C -0.751 175.781 176.600 -0.113 0.000 0.955 162 K CA 0.076 56.296 56.287 -0.112 0.000 0.855 162 K CB 1.525 33.994 32.500 -0.052 0.000 1.101 162 K HN 1.135 nan 8.250 nan 0.000 0.434 163 C N 0.064 119.277 119.300 -0.145 0.000 3.320 163 C HA 0.943 5.402 4.460 -0.001 0.000 0.335 163 C C -1.257 173.667 174.990 -0.111 0.000 1.430 163 C CA -0.818 58.128 59.018 -0.120 0.000 1.271 163 C CB 0.743 28.368 27.740 -0.191 0.000 1.609 163 C HN 0.926 nan 8.230 nan 0.000 0.457 164 A N 0.953 123.686 122.820 -0.144 0.000 2.371 164 A HA 0.952 5.272 4.320 -0.001 0.000 0.311 164 A C -0.689 176.851 177.584 -0.073 0.000 1.068 164 A CA -0.447 51.445 52.037 -0.242 0.000 0.744 164 A CB 0.866 19.346 19.000 -0.867 0.000 1.239 164 A HN 1.941 nan 8.150 nan 0.000 0.435 165 I N -1.870 118.708 120.570 0.014 0.000 3.174 165 I HA 0.720 4.890 4.170 -0.001 0.000 0.313 165 I C 0.230 176.321 176.117 -0.044 0.000 1.155 165 I CA -0.883 60.416 61.300 -0.002 0.000 0.977 165 I CB 1.941 39.962 38.000 0.036 0.000 1.248 165 I HN 0.619 nan 8.210 nan 0.000 0.453 166 S N 1.175 116.840 115.700 -0.057 0.000 3.559 166 S HA -0.195 4.274 4.470 -0.001 0.000 0.369 166 S C -0.446 174.110 174.600 -0.072 0.000 0.987 166 S CA 1.385 59.547 58.200 -0.064 0.000 1.187 166 S CB -1.613 61.538 63.200 -0.083 0.000 0.914 166 S HN 0.984 nan 8.310 nan 0.000 0.480 167 D N -0.800 119.550 120.400 -0.085 0.000 2.859 167 D HA 0.276 4.916 4.640 -0.001 0.000 0.223 167 D C 0.612 176.800 176.300 -0.186 0.000 1.218 167 D CA -0.628 53.278 54.000 -0.155 0.000 0.850 167 D CB 0.945 41.669 40.800 -0.127 0.000 1.656 167 D HN 0.362 nan 8.370 nan 0.000 0.484 168 H N 1.632 120.632 119.070 -0.116 0.000 2.567 168 H HA 0.172 4.727 4.556 -0.001 0.000 0.276 168 H C 0.770 176.016 175.328 -0.137 0.000 1.016 168 H CA 0.843 56.807 56.048 -0.139 0.000 1.186 168 H CB 0.015 29.655 29.762 -0.202 0.000 1.351 168 H HN 0.122 nan 8.280 nan 0.000 0.605 169 R N 0.558 120.864 120.500 -0.323 0.000 2.508 169 R HA 0.159 4.499 4.340 -0.001 0.000 0.300 169 R C 0.247 176.539 176.300 -0.013 0.000 0.970 169 R CA 0.331 56.361 56.100 -0.117 0.000 1.102 169 R CB 0.731 30.972 30.300 -0.099 0.000 1.246 169 R HN 0.373 nan 8.270 nan 0.000 0.539 170 S N -0.168 115.484 115.700 -0.080 0.000 2.617 170 S HA 0.284 4.753 4.470 -0.001 0.000 0.259 170 S C 1.020 175.585 174.600 -0.058 0.000 1.301 170 S CA -0.267 57.887 58.200 -0.075 0.000 0.984 170 S CB 1.499 64.644 63.200 -0.093 0.000 0.954 170 S HN 0.189 nan 8.310 nan 0.000 0.572 171 A N 0.227 122.975 122.820 -0.119 0.000 2.415 171 A HA 0.659 4.979 4.320 -0.001 0.000 0.248 171 A C 1.209 178.705 177.584 -0.147 0.000 1.299 171 A CA 0.160 52.089 52.037 -0.181 0.000 0.899 171 A CB -1.634 17.064 19.000 -0.503 0.000 0.997 171 A HN 2.299 nan 8.150 nan 0.000 0.506 172 A N 0.247 123.011 122.820 -0.094 0.000 2.687 172 A HA -0.090 4.229 4.320 -0.001 0.000 0.299 172 A C -1.380 176.159 177.584 -0.075 0.000 1.497 172 A CA 0.518 52.515 52.037 -0.066 0.000 0.751 172 A CB -2.130 16.844 19.000 -0.044 0.000 1.048 172 A HN 0.558 nan 8.150 nan 0.000 0.464 173 P HA 0.484 nan 4.420 nan 0.000 0.274 173 P C -0.317 176.994 177.300 0.019 0.000 1.237 173 P CA 0.030 63.092 63.100 -0.063 0.000 0.793 173 P CB 0.660 32.336 31.700 -0.040 0.000 0.977 174 D N -0.053 120.402 120.400 0.091 0.000 2.387 174 D HA 0.031 4.671 4.640 -0.001 0.000 0.255 174 D C 1.229 177.617 176.300 0.147 0.000 1.081 174 D CA -0.960 53.117 54.000 0.129 0.000 0.994 174 D CB 0.383 41.290 40.800 0.178 0.000 1.127 174 D HN 0.057 nan 8.370 nan 0.000 0.513 175 V N 0.706 120.691 119.914 0.118 0.000 2.317 175 V HA -0.322 3.797 4.120 -0.001 0.000 0.251 175 V C 1.959 178.116 176.094 0.104 0.000 1.065 175 V CA 2.046 64.406 62.300 0.100 0.000 1.049 175 V CB -0.950 30.926 31.823 0.087 0.000 0.651 175 V HN 0.655 nan 8.190 nan 0.000 0.450 176 Y N 0.757 121.078 120.300 0.035 0.000 2.165 176 Y HA -0.302 4.248 4.550 -0.001 0.000 0.286 176 Y C 2.337 178.177 175.900 -0.100 0.000 1.155 176 Y CA 2.465 60.539 58.100 -0.043 0.000 1.164 176 Y CB -0.611 37.791 38.460 -0.098 0.000 0.978 176 Y HN 0.571 nan 8.280 nan 0.000 0.513 177 H N -0.557 118.427 119.070 -0.144 0.000 2.353 177 H HA -0.132 4.424 4.556 -0.001 0.000 0.300 177 H C 2.309 177.521 175.328 -0.193 0.000 1.090 177 H CA 2.091 58.013 56.048 -0.210 0.000 1.327 177 H CB -0.279 29.450 29.762 -0.054 0.000 1.383 177 H HN 0.323 nan 8.280 nan 0.000 0.508 178 L N -0.398 120.834 121.223 0.016 0.000 2.005 178 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 178 L C 2.744 179.601 176.870 -0.022 0.000 1.072 178 L CA 0.935 55.795 54.840 0.032 0.000 0.744 178 L CB -0.603 41.518 42.059 0.103 0.000 0.895 178 L HN 0.361 nan 8.230 nan 0.000 0.433 179 A N 0.655 123.435 122.820 -0.066 0.000 1.873 179 A HA -0.321 3.998 4.320 -0.001 0.000 0.218 179 A C 2.015 179.509 177.584 -0.151 0.000 1.193 179 A CA 2.470 54.464 52.037 -0.072 0.000 0.629 179 A CB -0.968 18.005 19.000 -0.046 0.000 0.826 179 A HN 0.533 nan 8.150 nan 0.000 0.447 180 N N -0.502 117.986 118.700 -0.354 0.000 2.104 180 N HA -0.213 4.526 4.740 -0.001 0.000 0.190 180 N C 1.821 177.225 175.510 -0.177 0.000 1.024 180 N CA 2.292 55.137 53.050 -0.343 0.000 0.853 180 N CB -0.380 37.700 38.487 -0.679 0.000 1.008 180 N HN 0.568 nan 8.380 nan 0.000 0.424 181 M N -0.339 119.168 119.600 -0.154 0.000 2.080 181 M HA -0.125 4.355 4.480 -0.001 0.000 0.260 181 M C 1.948 178.206 176.300 -0.071 0.000 1.068 181 M CA 1.939 57.186 55.300 -0.089 0.000 1.109 181 M CB -0.224 32.333 32.600 -0.072 0.000 1.342 181 M HN 0.269 nan 8.290 nan 0.000 0.405 182 A N 0.338 123.127 122.820 -0.053 0.000 1.902 182 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 182 A C 2.339 179.911 177.584 -0.020 0.000 1.181 182 A CA 1.957 53.982 52.037 -0.020 0.000 0.623 182 A CB -1.235 17.796 19.000 0.050 0.000 0.818 182 A HN 0.696 nan 8.150 nan 0.000 0.443 183 A N -0.402 122.401 122.820 -0.028 0.000 1.902 183 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 183 A C 1.965 179.533 177.584 -0.026 0.000 1.181 183 A CA 1.603 53.627 52.037 -0.022 0.000 0.623 183 A CB -0.489 18.494 19.000 -0.027 0.000 0.818 183 A HN 0.611 nan 8.150 nan 0.000 0.443 184 E N -0.619 119.559 120.200 -0.037 0.000 2.106 184 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 184 E C 2.282 178.865 176.600 -0.028 0.000 0.984 184 E CA 1.149 57.531 56.400 -0.029 0.000 0.806 184 E CB -0.176 29.504 29.700 -0.033 0.000 0.750 184 E HN 0.588 nan 8.360 nan 0.000 0.458 185 S N 0.572 116.251 115.700 -0.035 0.000 2.355 185 S HA -0.156 4.314 4.470 -0.001 0.000 0.222 185 S C 2.027 176.605 174.600 -0.036 0.000 1.031 185 S CA 0.858 59.035 58.200 -0.038 0.000 0.993 185 S CB -0.038 63.132 63.200 -0.051 0.000 0.859 185 S HN 0.092 nan 8.310 nan 0.000 0.453 186 R N 1.037 121.518 120.500 -0.031 0.000 2.097 186 R HA -0.075 4.265 4.340 -0.001 0.000 0.236 186 R C 2.173 178.456 176.300 -0.028 0.000 1.135 186 R CA 2.096 58.178 56.100 -0.030 0.000 0.934 186 R CB -1.303 28.986 30.300 -0.018 0.000 0.846 186 R HN 0.424 nan 8.270 nan 0.000 0.431 187 V N 0.159 120.060 119.914 -0.021 0.000 2.358 187 V HA -0.147 3.973 4.120 -0.001 0.000 0.246 187 V C 2.463 178.547 176.094 -0.017 0.000 1.047 187 V CA 1.974 64.264 62.300 -0.017 0.000 1.035 187 V CB -1.040 30.777 31.823 -0.011 0.000 0.658 187 V HN 0.609 nan 8.190 nan 0.000 0.452 188 G N -0.158 108.631 108.800 -0.018 0.000 2.448 188 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.219 188 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.219 188 G C 1.561 176.450 174.900 -0.018 0.000 1.127 188 G CA 0.910 46.001 45.100 -0.014 0.000 0.766 188 G HN 0.588 nan 8.290 nan 0.000 0.552 189 G N 0.846 109.629 108.800 -0.029 0.000 2.402 189 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.216 189 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.216 189 G C 1.763 176.641 174.900 -0.036 0.000 1.162 189 G CA 0.562 45.639 45.100 -0.040 0.000 0.777 189 G HN 0.421 nan 8.290 nan 0.000 0.539 190 L N -0.021 121.183 121.223 -0.032 0.000 2.046 190 L HA -0.002 4.338 4.340 -0.001 0.000 0.208 190 L C 2.898 179.757 176.870 -0.019 0.000 1.077 190 L CA 0.615 55.438 54.840 -0.027 0.000 0.747 190 L CB -0.400 41.646 42.059 -0.022 0.000 0.896 190 L HN 0.180 nan 8.230 nan 0.000 0.432 191 L N -0.604 120.611 121.223 -0.014 0.000 2.056 191 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 191 L C 2.410 179.277 176.870 -0.005 0.000 1.078 191 L CA 1.418 56.253 54.840 -0.008 0.000 0.749 191 L CB -0.894 41.162 42.059 -0.005 0.000 0.901 191 L HN 0.327 nan 8.230 nan 0.000 0.433 192 G N -1.613 107.184 108.800 -0.006 0.000 2.838 192 G HA2 0.247 4.207 3.960 -0.001 0.000 0.210 192 G HA3 0.247 4.207 3.960 -0.001 0.000 0.210 192 G C 1.123 176.022 174.900 -0.002 0.000 1.153 192 G CA 0.458 45.559 45.100 0.000 0.000 0.778 192 G HN 0.495 nan 8.290 nan 0.000 0.539 193 G N 0.259 109.050 108.800 -0.015 0.000 2.212 193 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.255 193 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.255 193 G C 0.126 175.004 174.900 -0.036 0.000 1.062 193 G CA 0.203 45.290 45.100 -0.021 0.000 0.815 193 G HN 0.470 nan 8.290 nan 0.000 0.497 194 K N -0.798 119.573 120.400 -0.048 0.000 2.295 194 K HA 0.559 4.878 4.320 -0.001 0.000 0.239 194 K C -1.600 174.936 176.600 -0.106 0.000 0.991 194 K CA -2.017 54.225 56.287 -0.076 0.000 0.845 194 K CB 1.760 34.228 32.500 -0.053 0.000 1.197 194 K HN -0.078 nan 8.250 nan 0.000 0.441 195 P HA -0.108 nan 4.420 nan 0.000 0.218 195 P C 0.452 177.655 177.300 -0.162 0.000 1.149 195 P CA 1.238 64.223 63.100 -0.192 0.000 0.817 195 P CB 0.093 31.626 31.700 -0.278 0.000 0.785 196 G N 0.034 108.760 108.800 -0.124 0.000 2.298 196 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.287 196 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.287 196 G C 0.156 175.000 174.900 -0.093 0.000 1.075 196 G CA 0.144 45.190 45.100 -0.089 0.000 0.960 196 G HN 0.516 nan 8.290 nan 0.000 0.502 197 V N -2.929 116.922 119.914 -0.105 0.000 3.262 197 V HA 0.963 5.082 4.120 -0.001 0.000 0.313 197 V C 0.497 176.564 176.094 -0.045 0.000 1.070 197 V CA -0.307 61.952 62.300 -0.067 0.000 1.049 197 V CB 1.941 33.730 31.823 -0.055 0.000 1.157 197 V HN 0.469 nan 8.190 nan 0.000 0.454 198 T N 1.389 115.930 114.554 -0.022 0.000 2.840 198 T HA 0.585 4.935 4.350 -0.001 0.000 0.287 198 T C -0.621 173.951 174.700 -0.212 0.000 0.991 198 T CA -0.288 61.703 62.100 -0.182 0.000 0.964 198 T CB 1.333 70.050 68.868 -0.252 0.000 0.954 198 T HN 0.675 nan 8.240 nan 0.000 0.438 199 V N 4.438 124.191 119.914 -0.269 0.000 2.394 199 V HA 0.509 4.629 4.120 -0.001 0.000 0.282 199 V C -0.810 175.101 176.094 -0.306 0.000 1.031 199 V CA -0.773 61.444 62.300 -0.137 0.000 0.881 199 V CB 0.615 32.420 31.823 -0.030 0.000 0.982 199 V HN 0.779 nan 8.190 nan 0.000 0.451 200 F N 3.403 123.338 119.950 -0.025 0.000 2.388 200 F HA 0.398 4.924 4.527 -0.001 0.000 0.358 200 F C 0.486 176.269 175.800 -0.029 0.000 1.122 200 F CA -0.655 57.316 58.000 -0.048 0.000 1.056 200 F CB 0.721 39.647 39.000 -0.122 0.000 1.155 200 F HN 0.647 nan 8.300 nan 0.000 0.461 201 H N 4.187 123.281 119.070 0.041 0.000 2.803 201 H HA 0.349 4.905 4.556 -0.001 0.000 0.330 201 H C -0.670 174.653 175.328 -0.007 0.000 1.057 201 H CA -0.502 55.579 56.048 0.056 0.000 1.458 201 H CB 0.623 30.309 29.762 -0.127 0.000 1.470 201 H HN 0.378 nan 8.280 nan 0.000 0.560 202 M N 4.722 124.040 119.600 -0.471 0.000 2.336 202 M HA 0.325 4.805 4.480 -0.001 0.000 0.342 202 M C 0.717 176.640 176.300 -0.628 0.000 1.128 202 M CA -0.419 54.647 55.300 -0.390 0.000 1.016 202 M CB 1.503 33.964 32.600 -0.231 0.000 1.665 202 M HN 0.888 nan 8.290 nan 0.000 0.445 203 G N 1.005 109.618 108.800 -0.311 0.000 2.702 203 G HA2 0.387 4.347 3.960 -0.001 0.000 0.254 203 G HA3 0.387 4.347 3.960 -0.001 0.000 0.254 203 G C -0.117 174.707 174.900 -0.125 0.000 1.380 203 G CA -0.343 44.645 45.100 -0.187 0.000 1.042 203 G HN 0.643 nan 8.290 nan 0.000 0.557 204 D N -0.273 120.090 120.400 -0.062 0.000 2.328 204 D HA 0.103 4.742 4.640 -0.001 0.000 0.221 204 D C 1.438 177.733 176.300 -0.008 0.000 1.072 204 D CA 0.120 54.107 54.000 -0.022 0.000 0.850 204 D CB 0.396 41.205 40.800 0.016 0.000 0.922 204 D HN 0.226 nan 8.370 nan 0.000 0.516 205 S N 0.475 116.163 115.700 -0.020 0.000 2.559 205 S HA -0.050 4.419 4.470 -0.001 0.000 0.282 205 S C 1.324 175.917 174.600 -0.013 0.000 1.336 205 S CA 0.000 58.194 58.200 -0.011 0.000 1.037 205 S CB 1.019 64.207 63.200 -0.020 0.000 0.853 205 S HN 0.002 nan 8.310 nan 0.000 0.523 206 K N 2.350 122.748 120.400 -0.003 0.000 2.365 206 K HA -0.027 4.293 4.320 -0.001 0.000 0.199 206 K C 1.749 178.345 176.600 -0.007 0.000 1.045 206 K CA 1.012 57.298 56.287 -0.002 0.000 0.962 206 K CB -0.046 32.456 32.500 0.004 0.000 0.759 206 K HN 0.559 nan 8.250 nan 0.000 0.469 207 K N 0.686 121.078 120.400 -0.013 0.000 2.283 207 K HA -0.031 4.289 4.320 -0.001 0.000 0.202 207 K C 1.070 177.653 176.600 -0.029 0.000 1.048 207 K CA 0.667 56.945 56.287 -0.015 0.000 0.948 207 K CB -0.145 32.344 32.500 -0.017 0.000 0.742 207 K HN 0.205 nan 8.250 nan 0.000 0.458 208 A N 0.935 123.727 122.820 -0.046 0.000 5.318 208 A HA -0.339 3.980 4.320 -0.001 0.000 0.329 208 A C 1.181 178.687 177.584 -0.129 0.000 1.789 208 A CA 1.739 53.730 52.037 -0.075 0.000 0.711 208 A CB -1.542 17.430 19.000 -0.047 0.000 1.398 208 A HN 0.220 nan 8.150 nan 0.000 0.392 209 L N -0.078 121.058 121.223 -0.145 0.000 2.599 209 L HA -0.067 4.272 4.340 -0.001 0.000 0.230 209 L C 2.415 179.147 176.870 -0.230 0.000 1.141 209 L CA 1.134 55.800 54.840 -0.289 0.000 0.877 209 L CB -0.348 41.478 42.059 -0.388 0.000 1.009 209 L HN 0.768 nan 8.230 nan 0.000 0.447 210 Q N 1.223 121.007 119.800 -0.027 0.000 2.082 210 Q HA -0.202 4.138 4.340 -0.001 0.000 0.211 210 Q C -0.614 175.374 176.000 -0.021 0.000 1.002 210 Q CA 2.361 58.206 55.803 0.070 0.000 0.868 210 Q CB -1.326 27.442 28.738 0.051 0.000 0.931 210 Q HN 0.258 nan 8.270 nan 0.000 0.414 211 P HA -0.164 nan 4.420 nan 0.000 0.217 211 P C 1.052 178.232 177.300 -0.199 0.000 1.151 211 P CA 1.412 64.447 63.100 -0.110 0.000 0.849 211 P CB -0.186 31.448 31.700 -0.109 0.000 0.787 212 I N -2.825 117.494 120.570 -0.418 0.000 2.315 212 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 212 I C 2.307 178.214 176.117 -0.350 0.000 1.117 212 I CA 1.314 62.274 61.300 -0.566 0.000 1.404 212 I CB -0.660 36.781 38.000 -0.932 0.000 1.071 212 I HN -0.120 nan 8.210 nan 0.000 0.419 213 Y N 1.081 121.325 120.300 -0.095 0.000 2.200 213 Y HA -0.234 4.315 4.550 -0.001 0.000 0.290 213 Y C 2.359 178.249 175.900 -0.016 0.000 1.137 213 Y CA 1.034 59.119 58.100 -0.024 0.000 1.163 213 Y CB -0.763 37.684 38.460 -0.020 0.000 0.988 213 Y HN 0.184 nan 8.280 nan 0.000 0.518 214 D N -0.004 120.471 120.400 0.124 0.000 2.092 214 D HA -0.202 4.438 4.640 -0.001 0.000 0.193 214 D C 2.378 178.714 176.300 0.061 0.000 0.994 214 D CA 1.158 55.205 54.000 0.078 0.000 0.828 214 D CB -0.806 40.024 40.800 0.050 0.000 0.963 214 D HN 0.303 nan 8.370 nan 0.000 0.450 215 L N 0.431 121.672 121.223 0.029 0.000 2.013 215 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 215 L C 2.320 179.221 176.870 0.052 0.000 1.073 215 L CA 1.196 56.057 54.840 0.035 0.000 0.753 215 L CB -0.216 41.854 42.059 0.018 0.000 0.890 215 L HN 0.036 nan 8.230 nan 0.000 0.432 216 L N -0.356 120.904 121.223 0.060 0.000 2.012 216 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 216 L C 2.324 179.239 176.870 0.074 0.000 1.073 216 L CA 1.622 56.511 54.840 0.081 0.000 0.748 216 L CB -0.552 41.580 42.059 0.123 0.000 0.891 216 L HN 0.298 nan 8.230 nan 0.000 0.431 217 E N -0.314 119.933 120.200 0.080 0.000 2.515 217 E HA -0.106 4.244 4.350 -0.001 0.000 0.201 217 E C 1.029 177.661 176.600 0.052 0.000 1.071 217 E CA 0.331 56.768 56.400 0.061 0.000 0.880 217 E CB 0.035 29.768 29.700 0.056 0.000 0.828 217 E HN 0.423 nan 8.360 nan 0.000 0.540 218 N N -0.419 118.315 118.700 0.056 0.000 2.200 218 N HA 0.103 4.842 4.740 -0.001 0.000 0.224 218 N C -0.423 175.121 175.510 0.057 0.000 1.179 218 N CA 0.202 53.287 53.050 0.058 0.000 0.877 218 N CB 0.864 39.393 38.487 0.070 0.000 1.072 218 N HN 0.164 nan 8.380 nan 0.000 0.519 219 C N -2.215 117.115 119.300 0.049 0.000 3.293 219 C HA 0.457 4.917 4.460 -0.001 0.000 0.362 219 C C -0.762 174.250 174.990 0.037 0.000 1.539 219 C CA -0.744 58.299 59.018 0.042 0.000 1.201 219 C CB 1.546 29.308 27.740 0.035 0.000 1.770 219 C HN 0.043 nan 8.230 nan 0.000 0.440 220 D N 0.839 121.257 120.400 0.030 0.000 2.593 220 D HA 0.250 4.890 4.640 -0.001 0.000 0.241 220 D C -0.037 176.276 176.300 0.023 0.000 1.257 220 D CA 0.297 54.312 54.000 0.025 0.000 0.828 220 D CB 1.250 42.061 40.800 0.019 0.000 1.049 220 D HN 0.433 nan 8.370 nan 0.000 0.490 221 V N 3.119 123.052 119.914 0.031 0.000 2.508 221 V HA 0.130 4.250 4.120 -0.001 0.000 0.281 221 V C -1.876 174.241 176.094 0.039 0.000 1.041 221 V CA -1.160 61.160 62.300 0.033 0.000 1.016 221 V CB 0.697 32.548 31.823 0.047 0.000 0.984 221 V HN 0.017 nan 8.190 nan 0.000 0.478 222 P HA 0.160 nan 4.420 nan 0.000 0.268 222 P C 1.014 178.337 177.300 0.040 0.000 1.204 222 P CA -0.080 63.032 63.100 0.019 0.000 0.768 222 P CB 0.715 32.415 31.700 -0.000 0.000 0.842 223 I N 2.605 123.191 120.570 0.027 0.000 2.399 223 I HA -0.309 3.860 4.170 -0.001 0.000 0.254 223 I C 1.814 177.970 176.117 0.064 0.000 1.146 223 I CA 1.946 63.264 61.300 0.031 0.000 1.412 223 I CB -0.051 37.906 38.000 -0.071 0.000 1.076 223 I HN 0.387 nan 8.210 nan 0.000 0.432 224 S N -0.036 115.688 115.700 0.040 0.000 2.537 224 S HA -0.097 4.372 4.470 -0.001 0.000 0.240 224 S C 1.653 176.298 174.600 0.075 0.000 0.981 224 S CA 0.560 58.802 58.200 0.070 0.000 0.948 224 S CB -0.272 62.932 63.200 0.006 0.000 0.759 224 S HN 0.421 nan 8.310 nan 0.000 0.531 225 K N 0.609 121.057 120.400 0.080 0.000 2.358 225 K HA 0.360 4.679 4.320 -0.001 0.000 0.197 225 K C -0.116 176.609 176.600 0.209 0.000 1.025 225 K CA 0.067 56.376 56.287 0.036 0.000 1.104 225 K CB 0.225 32.727 32.500 0.002 0.000 0.855 225 K HN 0.468 nan 8.250 nan 0.000 0.531 226 L N 1.769 123.201 121.223 0.347 0.000 2.265 226 L HA 0.407 4.746 4.340 -0.001 0.000 0.289 226 L C -0.503 176.674 176.870 0.512 0.000 1.033 226 L CA -0.844 54.284 54.840 0.480 0.000 0.814 226 L CB 0.992 43.321 42.059 0.451 0.000 1.203 226 L HN -0.188 nan 8.230 nan 0.000 0.423 227 L N 6.957 128.464 121.223 0.473 0.000 2.345 227 L HA 0.604 4.943 4.340 -0.001 0.000 0.274 227 L C -2.447 174.543 176.870 0.200 0.000 0.999 227 L CA -1.498 53.495 54.840 0.254 0.000 0.849 227 L CB 1.583 43.719 42.059 0.128 0.000 1.220 227 L HN 0.250 nan 8.230 nan 0.000 0.422 228 P HA 0.246 nan 4.420 nan 0.000 0.286 228 P C -0.787 176.443 177.300 -0.116 0.000 1.269 228 P CA -0.172 62.858 63.100 -0.118 0.000 0.787 228 P CB 1.447 32.895 31.700 -0.419 0.000 0.920 229 T N 1.673 116.156 114.554 -0.118 0.000 2.940 229 T HA 0.318 4.668 4.350 -0.001 0.000 0.288 229 T C 0.264 174.792 174.700 -0.286 0.000 1.045 229 T CA -0.230 61.717 62.100 -0.256 0.000 1.018 229 T CB 0.174 68.852 68.868 -0.317 0.000 1.151 229 T HN 0.538 nan 8.240 nan 0.000 0.529 230 H N 0.219 119.207 119.070 -0.137 0.000 2.861 230 H HA -0.142 4.414 4.556 -0.000 0.000 0.289 230 H C 1.486 176.751 175.328 -0.106 0.000 1.176 230 H CA 0.855 56.813 56.048 -0.149 0.000 1.146 230 H CB -2.427 27.207 29.762 -0.213 0.000 1.330 230 H HN 0.517 nan 8.280 nan 0.000 0.379 231 V N -0.442 119.480 119.914 0.013 0.000 2.688 231 V HA -0.262 3.858 4.120 -0.001 0.000 0.256 231 V C 2.060 178.288 176.094 0.224 0.000 1.084 231 V CA 2.062 64.399 62.300 0.063 0.000 1.103 231 V CB -0.215 31.614 31.823 0.011 0.000 0.688 231 V HN 0.537 nan 8.190 nan 0.000 0.480 232 N N 2.523 121.321 118.700 0.164 0.000 2.461 232 N HA -0.144 4.595 4.740 -0.001 0.000 0.188 232 N C 1.783 177.285 175.510 -0.013 0.000 1.134 232 N CA 1.066 54.137 53.050 0.034 0.000 0.878 232 N CB -0.680 37.734 38.487 -0.121 0.000 0.972 232 N HN 0.786 nan 8.380 nan 0.000 0.456 233 R N 0.727 121.234 120.500 0.013 0.000 2.152 233 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 233 R C -0.302 175.995 176.300 -0.005 0.000 1.117 233 R CA 1.262 57.351 56.100 -0.019 0.000 0.981 233 R CB -0.657 29.608 30.300 -0.059 0.000 0.870 233 R HN 0.478 nan 8.270 nan 0.000 0.451 234 N N -2.676 116.038 118.700 0.023 0.000 2.636 234 N HA 0.097 4.837 4.740 -0.001 0.000 0.261 234 N C 0.119 175.676 175.510 0.078 0.000 1.195 234 N CA -0.601 52.469 53.050 0.033 0.000 0.902 234 N CB 1.558 40.059 38.487 0.023 0.000 1.627 234 N HN -0.229 nan 8.380 nan 0.000 0.491 235 V N 0.630 120.584 119.914 0.068 0.000 2.215 235 V HA -0.129 3.990 4.120 -0.001 0.000 0.249 235 V C -0.850 175.327 176.094 0.138 0.000 1.054 235 V CA 2.381 64.745 62.300 0.106 0.000 1.012 235 V CB -1.487 30.378 31.823 0.069 0.000 0.639 235 V HN 0.779 nan 8.190 nan 0.000 0.448 236 P HA -0.153 nan 4.420 nan 0.000 0.218 236 P C 1.831 179.162 177.300 0.051 0.000 1.148 236 P CA 1.353 64.490 63.100 0.061 0.000 0.822 236 P CB -0.096 31.626 31.700 0.038 0.000 0.784 237 L N -1.409 119.846 121.223 0.053 0.000 2.044 237 L HA -0.013 4.327 4.340 -0.001 0.000 0.205 237 L C 2.359 179.253 176.870 0.041 0.000 1.075 237 L CA 1.543 56.394 54.840 0.018 0.000 0.747 237 L CB -1.625 40.438 42.059 0.006 0.000 0.903 237 L HN -0.199 nan 8.230 nan 0.000 0.435 238 F N 0.904 120.836 119.950 -0.031 0.000 2.065 238 F HA -0.255 4.271 4.527 -0.001 0.000 0.298 238 F C 2.429 178.227 175.800 -0.004 0.000 1.112 238 F CA 2.174 60.160 58.000 -0.023 0.000 1.212 238 F CB -0.317 38.672 39.000 -0.017 0.000 0.975 238 F HN 0.205 nan 8.300 nan 0.000 0.476 239 E N 0.125 120.336 120.200 0.018 0.000 2.097 239 E HA -0.279 4.070 4.350 -0.001 0.000 0.196 239 E C 2.206 178.744 176.600 -0.104 0.000 1.000 239 E CA 1.649 58.015 56.400 -0.056 0.000 0.804 239 E CB -0.579 29.146 29.700 0.042 0.000 0.740 239 E HN 0.652 nan 8.360 nan 0.000 0.454 240 Q N -0.075 119.689 119.800 -0.060 0.000 2.119 240 Q HA -0.074 4.265 4.340 -0.001 0.000 0.201 240 Q C 2.189 178.167 176.000 -0.036 0.000 0.972 240 Q CA 1.155 56.948 55.803 -0.017 0.000 0.847 240 Q CB -0.132 28.609 28.738 0.004 0.000 0.903 240 Q HN 0.231 nan 8.270 nan 0.000 0.433 241 A N 0.981 123.707 122.820 -0.156 0.000 1.940 241 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 241 A C 2.052 179.557 177.584 -0.133 0.000 1.176 241 A CA 1.136 53.071 52.037 -0.169 0.000 0.631 241 A CB -0.697 18.127 19.000 -0.294 0.000 0.814 241 A HN 0.296 nan 8.150 nan 0.000 0.446 242 L N -0.090 120.958 121.223 -0.292 0.000 2.046 242 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 242 L C 2.704 179.535 176.870 -0.065 0.000 1.077 242 L CA 1.860 56.570 54.840 -0.217 0.000 0.747 242 L CB -0.793 41.118 42.059 -0.247 0.000 0.896 242 L HN 0.614 nan 8.230 nan 0.000 0.432 243 E N -0.381 119.811 120.200 -0.013 0.000 2.152 243 E HA -0.224 4.125 4.350 -0.001 0.000 0.192 243 E C 2.150 178.814 176.600 0.106 0.000 0.983 243 E CA 0.920 57.341 56.400 0.035 0.000 0.818 243 E CB -0.473 29.252 29.700 0.041 0.000 0.758 243 E HN 0.405 nan 8.360 nan 0.000 0.467 244 F N 2.855 122.804 119.950 -0.001 0.000 2.095 244 F HA -0.133 4.394 4.527 0.000 0.000 0.298 244 F C 2.427 178.212 175.800 -0.025 0.000 1.104 244 F CA 1.556 59.566 58.000 0.016 0.000 1.232 244 F CB -0.343 38.610 39.000 -0.078 0.000 0.987 244 F HN 0.033 nan 8.300 nan 0.000 0.475 245 A N 1.004 123.832 122.820 0.013 0.000 1.902 245 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 245 A C 2.325 179.835 177.584 -0.125 0.000 1.181 245 A CA 1.746 53.720 52.037 -0.104 0.000 0.623 245 A CB -0.932 18.048 19.000 -0.034 0.000 0.818 245 A HN 0.561 nan 8.150 nan 0.000 0.443 246 R N -0.094 120.361 120.500 -0.074 0.000 2.152 246 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 246 R C 1.532 177.782 176.300 -0.084 0.000 1.117 246 R CA 1.903 57.965 56.100 -0.064 0.000 0.981 246 R CB -0.300 29.978 30.300 -0.038 0.000 0.870 246 R HN 0.367 nan 8.270 nan 0.000 0.451 247 K N -0.788 119.544 120.400 -0.115 0.000 2.486 247 K HA 0.086 4.405 4.320 -0.001 0.000 0.194 247 K C 0.741 177.240 176.600 -0.169 0.000 1.033 247 K CA 0.773 56.989 56.287 -0.119 0.000 1.004 247 K CB 0.510 32.958 32.500 -0.086 0.000 0.798 247 K HN 0.580 nan 8.250 nan 0.000 0.495 248 G N -0.382 108.291 108.800 -0.212 0.000 2.227 248 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.168 248 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.168 248 G C 0.312 175.048 174.900 -0.273 0.000 1.006 248 G CA -0.489 44.498 45.100 -0.188 0.000 0.684 248 G HN 0.450 nan 8.290 nan 0.000 0.489 249 G N -0.422 108.041 108.800 -0.562 0.000 2.528 249 G HA2 0.584 4.543 3.960 -0.001 0.000 0.289 249 G HA3 0.584 4.543 3.960 -0.001 0.000 0.289 249 G C -0.199 174.576 174.900 -0.208 0.000 1.192 249 G CA 0.492 45.193 45.100 -0.665 0.000 0.921 249 G HN 0.462 nan 8.290 nan 0.000 0.512 250 T N 0.591 115.159 114.554 0.023 0.000 2.859 250 T HA 0.532 4.882 4.350 -0.001 0.000 0.281 250 T C 0.153 174.873 174.700 0.033 0.000 1.005 250 T CA -0.155 61.932 62.100 -0.022 0.000 1.025 250 T CB 1.170 69.931 68.868 -0.178 0.000 0.977 250 T HN 0.599 nan 8.240 nan 0.000 0.458 251 I N -0.297 120.250 120.570 -0.038 0.000 2.646 251 I HA 0.792 4.961 4.170 -0.001 0.000 0.299 251 I C -1.331 174.715 176.117 -0.120 0.000 1.036 251 I CA -1.020 60.252 61.300 -0.048 0.000 1.074 251 I CB 2.315 40.306 38.000 -0.014 0.000 1.258 251 I HN 0.408 nan 8.210 nan 0.000 0.430 252 D N 5.798 126.118 120.400 -0.133 0.000 2.344 252 D HA 0.542 5.181 4.640 -0.001 0.000 0.239 252 D C -0.853 175.381 176.300 -0.111 0.000 1.064 252 D CA -0.379 53.535 54.000 -0.143 0.000 0.829 252 D CB 1.586 42.285 40.800 -0.169 0.000 1.129 252 D HN 0.547 nan 8.370 nan 0.000 0.506 253 I N 2.828 123.350 120.570 -0.080 0.000 2.385 253 I HA 0.251 4.421 4.170 -0.001 0.000 0.294 253 I C 0.206 176.270 176.117 -0.089 0.000 0.988 253 I CA -0.588 60.682 61.300 -0.050 0.000 1.265 253 I CB 1.865 39.855 38.000 -0.018 0.000 1.388 253 I HN 0.301 nan 8.210 nan 0.000 0.480 254 T N 3.496 118.009 114.554 -0.069 0.000 2.767 254 T HA 0.104 4.453 4.350 -0.001 0.000 0.288 254 T C 1.129 175.803 174.700 -0.043 0.000 0.963 254 T CA -0.592 61.473 62.100 -0.059 0.000 1.019 254 T CB 1.393 70.287 68.868 0.043 0.000 0.923 254 T HN 0.794 nan 8.240 nan 0.000 0.468 255 S N 1.681 117.352 115.700 -0.049 0.000 2.453 255 S HA -0.093 4.376 4.470 -0.001 0.000 0.231 255 S C 1.991 176.574 174.600 -0.027 0.000 1.005 255 S CA 0.665 58.835 58.200 -0.049 0.000 0.949 255 S CB -0.320 62.848 63.200 -0.054 0.000 0.774 255 S HN 0.697 nan 8.310 nan 0.000 0.510 256 S N 0.818 116.509 115.700 -0.014 0.000 2.650 256 S HA 0.343 4.813 4.470 -0.001 0.000 0.219 256 S C 0.338 174.952 174.600 0.023 0.000 0.960 256 S CA -0.546 57.654 58.200 0.000 0.000 0.925 256 S CB -0.705 62.490 63.200 -0.008 0.000 0.775 256 S HN 0.555 nan 8.310 nan 0.000 0.525 257 I N 1.944 122.521 120.570 0.012 0.000 2.382 257 I HA 0.350 4.519 4.170 -0.001 0.000 0.285 257 I C -0.218 175.902 176.117 0.006 0.000 1.007 257 I CA -0.557 60.756 61.300 0.023 0.000 1.142 257 I CB 1.754 39.754 38.000 -0.000 0.000 1.289 257 I HN 0.004 nan 8.210 nan 0.000 0.453 258 D N 4.248 124.665 120.400 0.028 0.000 2.327 258 D HA 0.101 4.741 4.640 -0.001 0.000 0.205 258 D C 0.248 176.548 176.300 -0.001 0.000 0.989 258 D CA 0.964 54.968 54.000 0.008 0.000 0.873 258 D CB 0.708 41.519 40.800 0.018 0.000 0.955 258 D HN 0.566 nan 8.370 nan 0.000 0.515 259 E N -0.223 119.990 120.200 0.021 0.000 2.340 259 E HA 0.203 4.553 4.350 -0.001 0.000 0.273 259 E C -1.920 174.691 176.600 0.018 0.000 0.891 259 E CA -1.603 54.807 56.400 0.016 0.000 0.757 259 E CB 2.961 32.687 29.700 0.044 0.000 1.231 259 E HN -0.194 nan 8.360 nan 0.000 0.439 260 P HA 0.022 nan 4.420 nan 0.000 0.227 260 P C 0.125 177.376 177.300 -0.081 0.000 1.161 260 P CA 0.462 63.546 63.100 -0.026 0.000 0.788 260 P CB 0.476 32.166 31.700 -0.016 0.000 0.822 261 V N 0.886 120.713 119.914 -0.145 0.000 2.350 261 V HA 0.567 4.687 4.120 -0.001 0.000 0.285 261 V C 0.418 176.387 176.094 -0.209 0.000 1.014 261 V CA -1.294 60.847 62.300 -0.265 0.000 0.831 261 V CB 0.950 32.426 31.823 -0.577 0.000 1.000 261 V HN 0.079 nan 8.190 nan 0.000 0.433 262 A N 7.576 130.303 122.820 -0.155 0.000 2.351 262 A HA 0.635 4.955 4.320 -0.001 0.000 0.257 262 A C -1.129 176.359 177.584 -0.159 0.000 1.087 262 A CA -1.164 50.806 52.037 -0.112 0.000 0.798 262 A CB 0.238 19.206 19.000 -0.054 0.000 1.033 262 A HN 0.628 nan 8.150 nan 0.000 0.488 263 P HA -0.263 nan 4.420 nan 0.000 0.214 263 P C 1.588 178.755 177.300 -0.221 0.000 1.169 263 P CA 2.767 65.775 63.100 -0.153 0.000 0.908 263 P CB -0.057 31.570 31.700 -0.122 0.000 0.791 264 A N -0.206 122.464 122.820 -0.251 0.000 1.972 264 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 264 A C 2.377 179.590 177.584 -0.618 0.000 1.169 264 A CA 1.854 53.614 52.037 -0.462 0.000 0.635 264 A CB -1.360 17.384 19.000 -0.427 0.000 0.810 264 A HN 0.272 nan 8.150 nan 0.000 0.446 265 E N -0.453 119.532 120.200 -0.358 0.000 2.051 265 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 265 E C 2.102 178.567 176.600 -0.225 0.000 0.991 265 E CA 1.088 57.345 56.400 -0.238 0.000 0.799 265 E CB -0.413 29.231 29.700 -0.094 0.000 0.748 265 E HN 0.513 nan 8.360 nan 0.000 0.449 266 G N 1.169 109.806 108.800 -0.273 0.000 2.418 266 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 266 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 266 G C 1.599 176.535 174.900 0.059 0.000 1.158 266 G CA 0.814 45.799 45.100 -0.191 0.000 0.771 266 G HN 0.238 nan 8.290 nan 0.000 0.545 267 I N 1.377 121.888 120.570 -0.098 0.000 2.179 267 I HA -0.157 4.013 4.170 -0.001 0.000 0.242 267 I C 3.279 179.405 176.117 0.015 0.000 1.088 267 I CA 1.016 62.266 61.300 -0.084 0.000 1.357 267 I CB -0.161 37.679 38.000 -0.268 0.000 1.051 267 I HN 0.235 nan 8.210 nan 0.000 0.409 268 A N 0.751 123.519 122.820 -0.087 0.000 1.902 268 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 268 A C 2.384 180.073 177.584 0.174 0.000 1.181 268 A CA 1.574 53.708 52.037 0.162 0.000 0.623 268 A CB -0.585 18.416 19.000 0.002 0.000 0.818 268 A HN 0.310 nan 8.150 nan 0.000 0.443 269 R N -0.529 120.052 120.500 0.135 0.000 2.091 269 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 269 R C 2.520 178.930 176.300 0.185 0.000 1.136 269 R CA 1.237 57.452 56.100 0.191 0.000 0.959 269 R CB -0.550 29.916 30.300 0.276 0.000 0.856 269 R HN 0.518 nan 8.270 nan 0.000 0.437 270 A N 0.720 123.657 122.820 0.196 0.000 1.892 270 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 270 A C 2.371 180.010 177.584 0.092 0.000 1.188 270 A CA 1.811 53.917 52.037 0.115 0.000 0.631 270 A CB -0.734 18.325 19.000 0.099 0.000 0.822 270 A HN 0.150 nan 8.150 nan 0.000 0.447 271 V N -0.194 119.797 119.914 0.128 0.000 2.407 271 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 271 V C 2.626 178.758 176.094 0.063 0.000 1.055 271 V CA 2.293 64.652 62.300 0.098 0.000 1.049 271 V CB -0.909 30.996 31.823 0.137 0.000 0.662 271 V HN 0.676 nan 8.190 nan 0.000 0.455 272 Q N 0.082 119.932 119.800 0.084 0.000 2.135 272 Q HA -0.142 4.198 4.340 -0.001 0.000 0.204 272 Q C 2.207 178.235 176.000 0.047 0.000 0.981 272 Q CA 1.745 57.586 55.803 0.063 0.000 0.856 272 Q CB -0.415 28.373 28.738 0.083 0.000 0.902 272 Q HN 0.663 nan 8.270 nan 0.000 0.425 273 A N -0.100 122.751 122.820 0.051 0.000 2.206 273 A HA 0.244 4.563 4.320 -0.001 0.000 0.211 273 A C 1.524 179.117 177.584 0.016 0.000 1.158 273 A CA 0.873 52.928 52.037 0.030 0.000 0.761 273 A CB -0.353 18.660 19.000 0.021 0.000 0.801 273 A HN 0.483 nan 8.150 nan 0.000 0.473 274 G N -1.506 107.305 108.800 0.018 0.000 2.141 274 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.231 274 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.231 274 G C -0.022 174.882 174.900 0.006 0.000 0.984 274 G CA 0.079 45.184 45.100 0.008 0.000 0.660 274 G HN 0.369 nan 8.290 nan 0.000 0.525 275 I N 2.642 123.220 120.570 0.013 0.000 2.474 275 I HA 0.380 4.549 4.170 -0.001 0.000 0.287 275 I C -1.613 174.515 176.117 0.020 0.000 1.048 275 I CA -2.148 59.156 61.300 0.007 0.000 1.383 275 I CB 0.875 38.874 38.000 -0.002 0.000 1.412 275 I HN -0.117 nan 8.210 nan 0.000 0.531 276 P HA 0.179 nan 4.420 nan 0.000 0.281 276 P C 0.764 178.083 177.300 0.031 0.000 1.252 276 P CA -0.308 62.804 63.100 0.022 0.000 0.778 276 P CB 0.780 32.488 31.700 0.013 0.000 0.895 277 L N 1.851 123.103 121.223 0.049 0.000 2.447 277 L HA -0.211 4.129 4.340 -0.001 0.000 0.225 277 L C 2.066 178.959 176.870 0.038 0.000 1.148 277 L CA 1.371 56.245 54.840 0.057 0.000 0.808 277 L CB -0.654 41.457 42.059 0.087 0.000 0.928 277 L HN 0.416 nan 8.230 nan 0.000 0.448 278 A N -0.402 122.439 122.820 0.036 0.000 2.119 278 A HA -0.068 4.252 4.320 -0.001 0.000 0.216 278 A C 2.080 179.683 177.584 0.031 0.000 1.152 278 A CA 0.690 52.750 52.037 0.038 0.000 0.708 278 A CB -0.175 18.848 19.000 0.039 0.000 0.805 278 A HN 0.313 nan 8.150 nan 0.000 0.460 279 R N -0.439 120.069 120.500 0.014 0.000 2.466 279 R HA 0.279 4.619 4.340 -0.001 0.000 0.279 279 R C -1.085 175.193 176.300 -0.035 0.000 0.976 279 R CA 0.108 56.205 56.100 -0.005 0.000 1.081 279 R CB 0.487 30.779 30.300 -0.013 0.000 1.215 279 R HN 0.258 nan 8.270 nan 0.000 0.546 280 V N 0.877 120.771 119.914 -0.033 0.000 2.577 280 V HA 0.284 4.403 4.120 -0.001 0.000 0.303 280 V C 0.155 176.209 176.094 -0.066 0.000 1.042 280 V CA -0.771 61.501 62.300 -0.046 0.000 0.872 280 V CB 1.962 33.778 31.823 -0.012 0.000 0.998 280 V HN 0.235 nan 8.190 nan 0.000 0.423 281 T N 2.377 116.869 114.554 -0.103 0.000 2.926 281 T HA 0.903 5.253 4.350 -0.001 0.000 0.289 281 T C -1.067 173.575 174.700 -0.096 0.000 1.054 281 T CA -0.865 61.176 62.100 -0.099 0.000 1.015 281 T CB 2.208 70.999 68.868 -0.130 0.000 1.167 281 T HN 0.513 nan 8.240 nan 0.000 0.526 282 L N 1.424 122.593 121.223 -0.090 0.000 2.431 282 L HA 0.778 5.118 4.340 -0.001 0.000 0.266 282 L C -0.723 176.106 176.870 -0.068 0.000 0.978 282 L CA -0.067 54.715 54.840 -0.097 0.000 0.822 282 L CB 2.212 44.191 42.059 -0.133 0.000 1.310 282 L HN 1.179 nan 8.230 nan 0.000 0.409 283 S N 1.021 116.688 115.700 -0.056 0.000 2.595 283 S HA 0.523 4.993 4.470 -0.001 0.000 0.281 283 S C 0.416 175.019 174.600 0.005 0.000 1.117 283 S CA 0.012 58.219 58.200 0.011 0.000 0.873 283 S CB 1.470 64.710 63.200 0.068 0.000 1.108 283 S HN 0.810 nan 8.310 nan 0.000 0.477 284 S N 1.153 116.908 115.700 0.091 0.000 2.388 284 S HA 0.041 4.510 4.470 -0.001 0.000 0.223 284 S C 0.964 175.583 174.600 0.032 0.000 1.034 284 S CA 1.152 59.391 58.200 0.066 0.000 0.963 284 S CB -0.994 62.297 63.200 0.151 0.000 0.827 284 S HN 1.510 nan 8.310 nan 0.000 0.481 285 N N 0.856 119.634 118.700 0.131 0.000 2.882 285 N HA -0.111 4.629 4.740 -0.001 0.000 0.249 285 N C 0.128 175.726 175.510 0.146 0.000 1.079 285 N CA 0.959 54.154 53.050 0.242 0.000 0.800 285 N CB -1.956 36.623 38.487 0.154 0.000 1.124 285 N HN 0.781 nan 8.380 nan 0.000 0.557 286 G N 0.157 108.912 108.800 -0.075 0.000 2.287 286 G HA2 0.210 4.169 3.960 -0.001 0.000 0.235 286 G HA3 0.210 4.169 3.960 -0.001 0.000 0.235 286 G C 0.830 175.647 174.900 -0.138 0.000 1.258 286 G CA 0.715 45.448 45.100 -0.612 0.000 0.884 286 G HN 0.611 nan 8.290 nan 0.000 0.518 287 N N -0.972 117.621 118.700 -0.178 0.000 2.936 287 N HA -0.150 4.589 4.740 -0.001 0.000 0.236 287 N C 0.992 176.482 175.510 -0.034 0.000 0.930 287 N CA 1.755 54.803 53.050 -0.003 0.000 0.966 287 N CB -1.321 37.249 38.487 0.137 0.000 1.090 287 N HN 1.049 nan 8.380 nan 0.000 0.592 288 G N -0.444 108.304 108.800 -0.087 0.000 2.507 288 G HA2 0.481 4.441 3.960 -0.001 0.000 0.271 288 G HA3 0.481 4.441 3.960 -0.001 0.000 0.271 288 G C 0.269 175.047 174.900 -0.203 0.000 1.189 288 G CA 0.284 45.155 45.100 -0.382 0.000 0.859 288 G HN 0.400 nan 8.290 nan 0.000 0.542 289 S N -0.121 115.449 115.700 -0.216 0.000 2.617 289 S HA 0.368 4.837 4.470 -0.001 0.000 0.269 289 S C -0.094 174.452 174.600 -0.090 0.000 1.292 289 S CA -0.541 57.590 58.200 -0.116 0.000 1.010 289 S CB 1.435 64.574 63.200 -0.102 0.000 0.944 289 S HN 0.567 nan 8.310 nan 0.000 0.536 290 Q N 1.590 121.367 119.800 -0.037 0.000 2.700 290 Q HA 0.380 4.719 4.340 -0.001 0.000 0.249 290 Q C -2.656 173.358 176.000 0.022 0.000 1.033 290 Q CA -1.758 54.044 55.803 -0.003 0.000 0.804 290 Q CB 1.593 30.427 28.738 0.160 0.000 1.164 290 Q HN 0.550 nan 8.270 nan 0.000 0.500 291 P HA 0.356 nan 4.420 nan 0.000 0.292 291 P C -1.045 176.041 177.300 -0.358 0.000 1.283 291 P CA -0.480 62.502 63.100 -0.197 0.000 0.835 291 P CB 0.821 32.404 31.700 -0.194 0.000 1.017 292 F N 2.042 121.714 119.950 -0.464 0.000 2.482 292 F HA 0.513 5.039 4.527 -0.001 0.000 0.331 292 F C 0.030 175.651 175.800 -0.298 0.000 1.115 292 F CA -0.480 57.382 58.000 -0.231 0.000 0.955 292 F CB 1.002 39.896 39.000 -0.177 0.000 1.136 292 F HN 0.134 nan 8.300 nan 0.000 0.452 293 F N 0.852 120.863 119.950 0.102 0.000 2.538 293 F HA 0.356 4.882 4.527 -0.001 0.000 0.325 293 F C 0.676 176.492 175.800 0.026 0.000 1.066 293 F CA -0.976 57.045 58.000 0.034 0.000 0.946 293 F CB 0.850 39.810 39.000 -0.067 0.000 1.199 293 F HN 0.364 nan 8.300 nan 0.000 0.473 294 D N 0.470 120.981 120.400 0.185 0.000 2.232 294 D HA -0.063 4.576 4.640 -0.001 0.000 0.242 294 D C 0.728 177.071 176.300 0.071 0.000 1.330 294 D CA 0.451 54.511 54.000 0.099 0.000 0.954 294 D CB 0.550 41.392 40.800 0.069 0.000 1.202 294 D HN 0.537 nan 8.370 nan 0.000 0.530 295 D N -0.253 120.173 120.400 0.043 0.000 2.333 295 D HA -0.037 4.602 4.640 -0.001 0.000 0.208 295 D C 0.516 176.818 176.300 0.004 0.000 0.984 295 D CA 0.488 54.504 54.000 0.026 0.000 0.873 295 D CB 0.370 41.185 40.800 0.025 0.000 0.935 295 D HN 0.425 nan 8.370 nan 0.000 0.521 296 E N -0.178 120.024 120.200 0.003 0.000 2.499 296 E HA 0.231 4.581 4.350 -0.001 0.000 0.199 296 E C 0.529 177.105 176.600 -0.040 0.000 1.016 296 E CA -0.317 56.076 56.400 -0.011 0.000 0.933 296 E CB 0.726 30.428 29.700 0.004 0.000 1.050 296 E HN 0.139 nan 8.360 nan 0.000 0.462 297 G N 2.192 110.943 108.800 -0.081 0.000 2.249 297 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.273 297 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.273 297 G C -0.219 174.687 174.900 0.010 0.000 1.036 297 G CA -0.001 44.960 45.100 -0.232 0.000 0.824 297 G HN 0.194 nan 8.290 nan 0.000 0.504 298 N N -0.360 118.405 118.700 0.108 0.000 2.421 298 N HA 0.457 5.197 4.740 -0.001 0.000 0.285 298 N C 0.378 175.973 175.510 0.141 0.000 1.027 298 N CA -0.542 52.592 53.050 0.140 0.000 0.918 298 N CB 1.780 40.303 38.487 0.060 0.000 1.152 298 N HN 0.356 nan 8.380 nan 0.000 0.485 299 L N 1.769 123.018 121.223 0.043 0.000 2.456 299 L HA 0.103 4.443 4.340 -0.001 0.000 0.272 299 L C 1.658 178.437 176.870 -0.151 0.000 1.189 299 L CA 0.482 55.117 54.840 -0.343 0.000 0.846 299 L CB 0.715 42.479 42.059 -0.491 0.000 1.111 299 L HN 0.746 nan 8.230 nan 0.000 0.475 300 T N 0.235 114.704 114.554 -0.142 0.000 3.138 300 T HA 0.132 4.481 4.350 -0.001 0.000 0.245 300 T C 0.387 175.098 174.700 0.018 0.000 0.982 300 T CA 0.071 62.154 62.100 -0.029 0.000 1.134 300 T CB -0.208 68.674 68.868 0.022 0.000 1.032 300 T HN 0.708 nan 8.240 nan 0.000 0.442 301 H N -0.303 118.709 119.070 -0.098 0.000 2.821 301 H HA 0.752 5.308 4.556 -0.001 0.000 0.373 301 H C -1.978 173.325 175.328 -0.041 0.000 1.165 301 H CA -1.335 54.655 56.048 -0.096 0.000 1.154 301 H CB 2.450 32.112 29.762 -0.167 0.000 1.765 301 H HN 0.361 nan 8.280 nan 0.000 0.549 302 I N 3.349 123.907 120.570 -0.020 0.000 2.627 302 I HA 0.466 4.635 4.170 -0.001 0.000 0.288 302 I C -1.062 175.085 176.117 0.050 0.000 1.202 302 I CA -0.284 60.962 61.300 -0.089 0.000 1.050 302 I CB 1.662 39.611 38.000 -0.085 0.000 1.264 302 I HN 0.793 nan 8.210 nan 0.000 0.429 303 G N 5.073 113.900 108.800 0.044 0.000 3.042 303 G HA2 0.686 4.646 3.960 -0.001 0.000 0.278 303 G HA3 0.686 4.646 3.960 -0.001 0.000 0.278 303 G C -1.825 173.094 174.900 0.031 0.000 1.371 303 G CA -0.653 44.498 45.100 0.085 0.000 1.009 303 G HN 0.513 nan 8.290 nan 0.000 0.523 304 V N -0.220 119.707 119.914 0.021 0.000 2.588 304 V HA 0.771 4.890 4.120 -0.001 0.000 0.304 304 V C 0.313 176.392 176.094 -0.026 0.000 1.042 304 V CA -0.312 61.980 62.300 -0.014 0.000 0.877 304 V CB 1.063 32.875 31.823 -0.018 0.000 0.996 304 V HN 1.375 nan 8.190 nan 0.000 0.425 305 A N 4.652 127.436 122.820 -0.061 0.000 2.351 305 A HA 0.867 5.186 4.320 -0.001 0.000 0.257 305 A C 0.542 177.996 177.584 -0.216 0.000 1.087 305 A CA 0.394 52.368 52.037 -0.104 0.000 0.798 305 A CB 0.736 19.677 19.000 -0.099 0.000 1.033 305 A HN 1.663 nan 8.150 nan 0.000 0.488 306 G N -1.261 107.398 108.800 -0.236 0.000 3.013 306 G HA2 0.553 4.513 3.960 -0.001 0.000 0.278 306 G HA3 0.553 4.513 3.960 -0.001 0.000 0.278 306 G C -0.414 174.261 174.900 -0.376 0.000 1.353 306 G CA -0.467 44.446 45.100 -0.311 0.000 1.043 306 G HN 0.497 nan 8.290 nan 0.000 0.523 307 F N -0.137 119.857 119.950 0.073 0.000 2.746 307 F HA 0.142 4.669 4.527 -0.001 0.000 0.297 307 F C 2.663 178.506 175.800 0.071 0.000 1.113 307 F CA 0.303 58.350 58.000 0.078 0.000 1.367 307 F CB 0.578 39.634 39.000 0.094 0.000 1.111 307 F HN 0.490 nan 8.300 nan 0.000 0.590 308 E N 0.832 121.151 120.200 0.197 0.000 2.265 308 E HA -0.203 4.147 4.350 -0.001 0.000 0.196 308 E C 1.542 178.197 176.600 0.091 0.000 0.996 308 E CA 1.856 58.339 56.400 0.139 0.000 0.832 308 E CB -1.241 28.521 29.700 0.102 0.000 0.756 308 E HN 0.448 nan 8.360 nan 0.000 0.491 309 T N -0.403 114.187 114.554 0.059 0.000 3.007 309 T HA -0.012 4.338 4.350 -0.001 0.000 0.270 309 T C 2.138 176.834 174.700 -0.007 0.000 1.107 309 T CA 0.759 62.870 62.100 0.019 0.000 1.118 309 T CB -0.340 68.528 68.868 -0.000 0.000 0.889 309 T HN 0.094 nan 8.240 nan 0.000 0.506 310 L N -0.180 121.050 121.223 0.013 0.000 1.961 310 L HA 0.035 4.375 4.340 -0.001 0.000 0.209 310 L C 2.583 179.378 176.870 -0.124 0.000 1.075 310 L CA 1.026 55.809 54.840 -0.095 0.000 0.749 310 L CB -0.790 41.220 42.059 -0.083 0.000 0.890 310 L HN 0.207 nan 8.230 nan 0.000 0.433 311 L N 0.211 121.457 121.223 0.038 0.000 2.043 311 L HA -0.243 4.096 4.340 -0.001 0.000 0.212 311 L C 2.422 179.318 176.870 0.044 0.000 1.075 311 L CA 1.801 56.716 54.840 0.124 0.000 0.752 311 L CB -0.598 41.595 42.059 0.223 0.000 0.891 311 L HN 0.237 nan 8.230 nan 0.000 0.432 312 E N -1.368 118.850 120.200 0.029 0.000 2.118 312 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 312 E C 1.907 178.496 176.600 -0.018 0.000 0.992 312 E CA 1.812 58.220 56.400 0.014 0.000 0.804 312 E CB -0.248 29.460 29.700 0.014 0.000 0.741 312 E HN 0.578 nan 8.360 nan 0.000 0.458 313 T N 0.769 115.287 114.554 -0.059 0.000 2.708 313 T HA -0.148 4.201 4.350 -0.001 0.000 0.266 313 T C 2.126 176.753 174.700 -0.122 0.000 1.037 313 T CA 1.209 63.245 62.100 -0.106 0.000 1.146 313 T CB -0.328 68.449 68.868 -0.151 0.000 0.865 313 T HN -0.018 nan 8.240 nan 0.000 0.435 314 V N 1.791 121.637 119.914 -0.113 0.000 2.255 314 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 314 V C 2.689 178.757 176.094 -0.043 0.000 1.051 314 V CA 1.840 64.085 62.300 -0.091 0.000 1.018 314 V CB -0.841 30.962 31.823 -0.033 0.000 0.641 314 V HN 0.526 nan 8.190 nan 0.000 0.445 315 Q N -0.551 119.246 119.800 -0.005 0.000 2.045 315 Q HA -0.213 4.127 4.340 -0.001 0.000 0.206 315 Q C 2.346 178.364 176.000 0.030 0.000 0.991 315 Q CA 2.208 58.021 55.803 0.017 0.000 0.851 315 Q CB -0.504 28.251 28.738 0.027 0.000 0.911 315 Q HN 0.551 nan 8.270 nan 0.000 0.418 316 V N 1.200 121.133 119.914 0.032 0.000 2.287 316 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 316 V C 2.281 178.479 176.094 0.175 0.000 1.053 316 V CA 1.674 64.029 62.300 0.092 0.000 1.027 316 V CB -0.606 31.273 31.823 0.092 0.000 0.646 316 V HN 0.348 nan 8.190 nan 0.000 0.447 317 L N -0.586 120.660 121.223 0.038 0.000 2.013 317 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 317 L C 2.468 179.442 176.870 0.173 0.000 1.073 317 L CA 1.438 56.260 54.840 -0.030 0.000 0.753 317 L CB -0.624 41.173 42.059 -0.435 0.000 0.890 317 L HN 0.206 nan 8.230 nan 0.000 0.432 318 V N 0.013 119.985 119.914 0.096 0.000 2.244 318 V HA -0.312 3.808 4.120 -0.001 0.000 0.244 318 V C 2.542 178.708 176.094 0.120 0.000 1.042 318 V CA 2.201 64.572 62.300 0.118 0.000 1.006 318 V CB -0.524 31.323 31.823 0.040 0.000 0.641 318 V HN 0.486 nan 8.190 nan 0.000 0.446 319 K N -0.289 120.164 120.400 0.087 0.000 2.025 319 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 319 K C 1.377 178.003 176.600 0.043 0.000 1.049 319 K CA 2.022 58.344 56.287 0.058 0.000 0.933 319 K CB -0.134 32.390 32.500 0.040 0.000 0.714 319 K HN 0.423 nan 8.250 nan 0.000 0.438 320 D N -1.197 119.237 120.400 0.057 0.000 2.398 320 D HA 0.029 4.669 4.640 -0.001 0.000 0.210 320 D C 0.446 176.599 176.300 -0.246 0.000 1.094 320 D CA 0.307 54.252 54.000 -0.091 0.000 0.839 320 D CB 0.469 41.171 40.800 -0.163 0.000 0.963 320 D HN 0.262 nan 8.370 nan 0.000 0.506 321 Y N 0.505 120.865 120.300 0.101 0.000 2.453 321 Y HA 0.085 4.634 4.550 -0.001 0.000 0.247 321 Y C 0.096 176.134 175.900 0.230 0.000 1.124 321 Y CA -0.266 57.946 58.100 0.187 0.000 1.243 321 Y CB 0.883 39.515 38.460 0.286 0.000 1.213 321 Y HN -0.261 nan 8.280 nan 0.000 0.523 322 D N -0.629 119.944 120.400 0.289 0.000 3.091 322 D HA -0.196 4.444 4.640 -0.001 0.000 0.216 322 D C -0.601 175.800 176.300 0.169 0.000 1.129 322 D CA 0.680 54.788 54.000 0.179 0.000 0.913 322 D CB -1.627 39.218 40.800 0.076 0.000 1.101 322 D HN 0.142 nan 8.370 nan 0.000 0.426 323 F N 1.210 121.211 119.950 0.085 0.000 2.371 323 F HA 0.310 4.836 4.527 -0.001 0.000 0.329 323 F C 1.611 177.425 175.800 0.024 0.000 1.107 323 F CA -0.470 57.560 58.000 0.050 0.000 1.137 323 F CB 0.876 39.895 39.000 0.032 0.000 1.214 323 F HN -0.164 nan 8.300 nan 0.000 0.536 324 S N 2.051 117.847 115.700 0.161 0.000 2.603 324 S HA 0.283 4.753 4.470 -0.001 0.000 0.268 324 S C 1.214 175.865 174.600 0.084 0.000 1.317 324 S CA -0.672 57.588 58.200 0.100 0.000 1.012 324 S CB 0.596 63.846 63.200 0.083 0.000 0.926 324 S HN 0.584 nan 8.310 nan 0.000 0.539 325 I N 1.363 121.900 120.570 -0.055 0.000 2.264 325 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 325 I C 2.675 178.723 176.117 -0.115 0.000 1.111 325 I CA 1.243 62.428 61.300 -0.191 0.000 1.382 325 I CB -0.597 37.031 38.000 -0.620 0.000 1.060 325 I HN 0.716 nan 8.210 nan 0.000 0.418 326 S N 0.389 116.074 115.700 -0.025 0.000 2.353 326 S HA -0.230 4.240 4.470 -0.001 0.000 0.222 326 S C 1.669 176.334 174.600 0.108 0.000 1.035 326 S CA 1.693 59.956 58.200 0.104 0.000 1.025 326 S CB -0.301 63.010 63.200 0.186 0.000 0.902 326 S HN 0.438 nan 8.310 nan 0.000 0.440 327 D N 1.311 121.794 120.400 0.138 0.000 2.117 327 D HA 0.019 4.659 4.640 -0.001 0.000 0.197 327 D C 2.101 178.519 176.300 0.197 0.000 0.987 327 D CA 1.149 55.270 54.000 0.202 0.000 0.829 327 D CB -0.485 40.491 40.800 0.294 0.000 0.961 327 D HN 0.361 nan 8.370 nan 0.000 0.460 328 A N 0.294 123.207 122.820 0.155 0.000 2.024 328 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 328 A C 2.308 179.870 177.584 -0.036 0.000 1.164 328 A CA 0.929 52.960 52.037 -0.010 0.000 0.643 328 A CB -0.615 18.364 19.000 -0.036 0.000 0.806 328 A HN 0.249 nan 8.150 nan 0.000 0.451 329 L N -1.409 119.828 121.223 0.023 0.000 2.270 329 L HA -0.078 4.262 4.340 -0.001 0.000 0.210 329 L C 2.674 179.579 176.870 0.058 0.000 1.104 329 L CA 0.516 55.392 54.840 0.060 0.000 0.804 329 L CB -0.378 41.745 42.059 0.107 0.000 0.937 329 L HN 0.347 nan 8.230 nan 0.000 0.450 330 R N 0.440 120.975 120.500 0.058 0.000 2.133 330 R HA -0.216 4.124 4.340 -0.001 0.000 0.245 330 R C -0.587 175.733 176.300 0.032 0.000 1.137 330 R CA 1.839 57.974 56.100 0.059 0.000 0.947 330 R CB -1.896 28.445 30.300 0.067 0.000 0.865 330 R HN 0.351 nan 8.270 nan 0.000 0.437 331 P HA -0.074 nan 4.420 nan 0.000 0.230 331 P C 0.907 178.176 177.300 -0.053 0.000 1.158 331 P CA 1.202 64.278 63.100 -0.040 0.000 0.769 331 P CB 0.095 31.748 31.700 -0.078 0.000 0.807 332 L N -2.247 118.946 121.223 -0.051 0.000 2.731 332 L HA 0.152 4.492 4.340 -0.001 0.000 0.240 332 L C 1.609 178.540 176.870 0.102 0.000 1.120 332 L CA 0.688 55.491 54.840 -0.062 0.000 0.913 332 L CB 0.029 41.912 42.059 -0.293 0.000 1.213 332 L HN 0.124 nan 8.230 nan 0.000 0.515 333 T N -5.148 109.472 114.554 0.110 0.000 2.964 333 T HA 0.001 4.351 4.350 -0.001 0.000 0.161 333 T C 1.707 176.468 174.700 0.102 0.000 0.859 333 T CA 0.606 62.792 62.100 0.145 0.000 1.015 333 T CB -0.336 68.638 68.868 0.176 0.000 2.138 333 T HN 0.042 nan 8.240 nan 0.000 0.367 334 S N 1.819 117.574 115.700 0.092 0.000 2.383 334 S HA -0.122 4.348 4.470 -0.001 0.000 0.229 334 S C 2.277 176.919 174.600 0.070 0.000 1.030 334 S CA 1.777 60.023 58.200 0.076 0.000 1.002 334 S CB -1.308 61.937 63.200 0.074 0.000 0.829 334 S HN 0.482 nan 8.310 nan 0.000 0.467 335 S N 1.387 117.125 115.700 0.063 0.000 2.368 335 S HA -0.023 4.447 4.470 -0.001 0.000 0.225 335 S C 1.994 176.643 174.600 0.082 0.000 1.030 335 S CA 1.295 59.530 58.200 0.059 0.000 0.999 335 S CB -0.609 62.609 63.200 0.030 0.000 0.844 335 S HN 0.465 nan 8.310 nan 0.000 0.459 336 V N 2.080 122.036 119.914 0.071 0.000 2.307 336 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 336 V C 2.658 178.815 176.094 0.105 0.000 1.045 336 V CA 1.644 64.001 62.300 0.095 0.000 1.024 336 V CB -1.272 30.596 31.823 0.075 0.000 0.651 336 V HN 0.532 nan 8.190 nan 0.000 0.449 337 A N 0.607 123.469 122.820 0.070 0.000 1.978 337 A HA -0.095 4.224 4.320 -0.001 0.000 0.220 337 A C 2.362 179.959 177.584 0.022 0.000 1.170 337 A CA 1.943 53.997 52.037 0.029 0.000 0.636 337 A CB -1.085 17.936 19.000 0.034 0.000 0.810 337 A HN 0.545 nan 8.150 nan 0.000 0.448 338 G N -1.436 107.402 108.800 0.064 0.000 2.394 338 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.214 338 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.214 338 G C 1.436 176.382 174.900 0.076 0.000 1.176 338 G CA 1.039 46.175 45.100 0.060 0.000 0.786 338 G HN 0.495 nan 8.290 nan 0.000 0.533 339 F N 0.986 120.918 119.950 -0.028 0.000 2.146 339 F HA 0.183 4.710 4.527 -0.001 0.000 0.298 339 F C 2.045 177.812 175.800 -0.054 0.000 1.096 339 F CA 0.981 58.963 58.000 -0.029 0.000 1.275 339 F CB 0.048 39.040 39.000 -0.014 0.000 1.008 339 F HN -0.008 nan 8.300 nan 0.000 0.480 340 L N 0.512 121.709 121.223 -0.043 0.000 2.611 340 L HA 0.065 4.405 4.340 -0.001 0.000 0.229 340 L C 0.011 176.743 176.870 -0.229 0.000 1.137 340 L CA 0.056 54.779 54.840 -0.195 0.000 0.901 340 L CB -0.759 41.225 42.059 -0.125 0.000 1.098 340 L HN 0.134 nan 8.230 nan 0.000 0.456 341 N N 0.915 119.516 118.700 -0.165 0.000 2.714 341 N HA -0.196 4.544 4.740 -0.001 0.000 0.252 341 N C -0.399 175.004 175.510 -0.177 0.000 1.014 341 N CA 0.838 53.801 53.050 -0.146 0.000 0.735 341 N CB -1.738 36.660 38.487 -0.149 0.000 0.924 341 N HN 0.346 nan 8.380 nan 0.000 0.540 342 L N 0.504 121.615 121.223 -0.187 0.000 2.312 342 L HA 0.164 4.504 4.340 -0.001 0.000 0.287 342 L C 0.876 177.693 176.870 -0.087 0.000 1.091 342 L CA -0.072 54.625 54.840 -0.238 0.000 0.846 342 L CB 0.527 42.393 42.059 -0.323 0.000 1.219 342 L HN -0.039 nan 8.230 nan 0.000 0.439 343 T N 2.486 117.005 114.554 -0.059 0.000 2.834 343 T HA 0.297 4.647 4.350 -0.001 0.000 0.298 343 T C 1.079 175.807 174.700 0.047 0.000 0.966 343 T CA 0.983 63.083 62.100 0.001 0.000 1.141 343 T CB 0.945 69.816 68.868 0.004 0.000 0.905 343 T HN 0.989 nan 8.240 nan 0.000 0.535 344 G N 2.976 111.802 108.800 0.045 0.000 2.157 344 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.248 344 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.248 344 G C 0.074 175.018 174.900 0.074 0.000 0.979 344 G CA -0.146 44.990 45.100 0.059 0.000 0.650 344 G HN 0.560 nan 8.290 nan 0.000 0.529 345 K N -0.843 119.600 120.400 0.071 0.000 2.350 345 K HA 0.748 5.067 4.320 -0.001 0.000 0.241 345 K C 1.194 177.838 176.600 0.073 0.000 0.994 345 K CA -0.109 56.230 56.287 0.086 0.000 0.839 345 K CB 1.174 33.738 32.500 0.107 0.000 1.244 345 K HN 1.171 nan 8.250 nan 0.000 0.443 346 G N 0.532 109.386 108.800 0.089 0.000 2.253 346 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.251 346 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.251 346 G C -0.044 174.908 174.900 0.086 0.000 0.998 346 G CA 0.412 45.568 45.100 0.092 0.000 0.621 346 G HN 0.486 nan 8.290 nan 0.000 0.524 347 E N -1.044 119.200 120.200 0.073 0.000 2.383 347 E HA 0.630 4.980 4.350 -0.001 0.000 0.275 347 E C -0.806 175.830 176.600 0.059 0.000 0.918 347 E CA -0.938 55.503 56.400 0.068 0.000 0.764 347 E CB 1.961 31.695 29.700 0.057 0.000 1.252 347 E HN 0.176 nan 8.360 nan 0.000 0.449 348 I N 3.745 124.349 120.570 0.058 0.000 2.287 348 I HA 0.317 4.487 4.170 -0.001 0.000 0.290 348 I C -0.789 175.348 176.117 0.034 0.000 1.069 348 I CA 0.086 61.412 61.300 0.044 0.000 1.237 348 I CB 0.102 38.129 38.000 0.045 0.000 1.418 348 I HN 0.166 nan 8.210 nan 0.000 0.481 349 L N 7.294 128.534 121.223 0.029 0.000 2.469 349 L HA 0.568 4.908 4.340 -0.001 0.000 0.256 349 L C -2.659 174.223 176.870 0.020 0.000 1.006 349 L CA -2.077 52.776 54.840 0.023 0.000 0.832 349 L CB 2.793 44.867 42.059 0.025 0.000 1.421 349 L HN 0.195 nan 8.230 nan 0.000 0.410 350 P HA 0.226 nan 4.420 nan 0.000 0.276 350 P C 0.613 177.925 177.300 0.019 0.000 1.230 350 P CA 0.543 63.653 63.100 0.016 0.000 0.776 350 P CB 1.158 32.866 31.700 0.013 0.000 0.888 351 G N 2.011 110.825 108.800 0.022 0.000 2.284 351 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.230 351 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.230 351 G C 0.475 175.391 174.900 0.028 0.000 1.021 351 G CA -0.284 44.830 45.100 0.024 0.000 0.619 351 G HN 0.535 nan 8.290 nan 0.000 0.510 352 N N 1.816 120.534 118.700 0.030 0.000 2.354 352 N HA 0.450 5.189 4.740 -0.001 0.000 0.246 352 N C -0.186 175.347 175.510 0.039 0.000 1.285 352 N CA -0.231 52.842 53.050 0.038 0.000 0.925 352 N CB 0.304 38.815 38.487 0.040 0.000 1.174 352 N HN 0.255 nan 8.380 nan 0.000 0.478 353 D N -0.124 120.306 120.400 0.051 0.000 2.372 353 D HA 0.208 4.848 4.640 -0.001 0.000 0.243 353 D C -0.233 176.094 176.300 0.045 0.000 1.121 353 D CA -0.097 53.933 54.000 0.051 0.000 0.898 353 D CB 0.524 41.366 40.800 0.070 0.000 1.202 353 D HN 0.469 nan 8.370 nan 0.000 0.428 354 A N 2.353 125.195 122.820 0.037 0.000 3.091 354 A HA 0.130 4.450 4.320 -0.001 0.000 0.264 354 A C -0.470 177.153 177.584 0.064 0.000 1.673 354 A CA -0.365 51.689 52.037 0.029 0.000 1.362 354 A CB -0.332 18.667 19.000 -0.001 0.000 1.137 354 A HN 0.227 nan 8.150 nan 0.000 0.617 355 D N 1.405 121.845 120.400 0.066 0.000 2.443 355 D HA 0.561 5.201 4.640 -0.001 0.000 0.221 355 D C -0.472 175.869 176.300 0.068 0.000 1.097 355 D CA 0.406 54.452 54.000 0.077 0.000 0.865 355 D CB 0.958 41.802 40.800 0.073 0.000 1.034 355 D HN 0.381 nan 8.370 nan 0.000 0.511 356 L N 1.188 122.474 121.223 0.104 0.000 2.393 356 L HA 0.547 4.887 4.340 -0.001 0.000 0.260 356 L C -0.587 176.342 176.870 0.099 0.000 1.002 356 L CA -0.909 53.983 54.840 0.087 0.000 0.818 356 L CB 2.222 44.324 42.059 0.072 0.000 1.369 356 L HN -0.015 nan 8.230 nan 0.000 0.412 357 L N 2.364 123.601 121.223 0.024 0.000 2.322 357 L HA 0.627 4.967 4.340 -0.001 0.000 0.281 357 L C -0.855 176.041 176.870 0.044 0.000 1.014 357 L CA -0.922 53.906 54.840 -0.020 0.000 0.815 357 L CB 2.129 44.088 42.059 -0.168 0.000 1.247 357 L HN 0.258 nan 8.230 nan 0.000 0.421 358 V N 4.539 124.493 119.914 0.066 0.000 2.347 358 V HA 0.485 4.605 4.120 -0.001 0.000 0.280 358 V C 0.232 176.355 176.094 0.048 0.000 1.021 358 V CA -0.249 62.102 62.300 0.084 0.000 0.847 358 V CB 1.504 33.403 31.823 0.126 0.000 0.990 358 V HN 0.718 nan 8.190 nan 0.000 0.444 359 M N 3.223 122.855 119.600 0.053 0.000 2.662 359 M HA 0.505 4.985 4.480 -0.001 0.000 0.310 359 M C 0.338 176.670 176.300 0.053 0.000 1.204 359 M CA -0.564 54.761 55.300 0.042 0.000 0.891 359 M CB 2.576 35.197 32.600 0.034 0.000 1.732 359 M HN 0.709 nan 8.290 nan 0.000 0.467 360 T N -2.187 112.393 114.554 0.044 0.000 2.754 360 T HA 0.318 4.667 4.350 -0.001 0.000 0.286 360 T C -2.052 172.676 174.700 0.047 0.000 0.997 360 T CA -1.349 60.779 62.100 0.047 0.000 0.982 360 T CB 0.381 69.272 68.868 0.038 0.000 1.027 360 T HN 0.393 nan 8.240 nan 0.000 0.529 361 P HA 0.008 nan 4.420 nan 0.000 0.223 361 P C 0.352 177.670 177.300 0.031 0.000 1.151 361 P CA 0.924 64.052 63.100 0.048 0.000 0.787 361 P CB -0.148 31.586 31.700 0.057 0.000 0.788 362 E N 0.274 120.492 120.200 0.030 0.000 2.370 362 E HA 0.241 4.591 4.350 -0.001 0.000 0.194 362 E C 0.225 176.840 176.600 0.025 0.000 1.057 362 E CA -0.283 56.132 56.400 0.025 0.000 1.011 362 E CB -1.065 28.651 29.700 0.026 0.000 1.132 362 E HN 0.052 nan 8.360 nan 0.000 0.450 363 L N 0.154 121.391 121.223 0.023 0.000 3.660 363 L HA -0.300 4.040 4.340 -0.001 0.000 0.440 363 L C 0.289 177.183 176.870 0.040 0.000 1.262 363 L CA 0.392 55.249 54.840 0.028 0.000 0.837 363 L CB -1.462 40.611 42.059 0.024 0.000 1.689 363 L HN 0.366 nan 8.230 nan 0.000 0.890 364 R N 1.135 121.657 120.500 0.036 0.000 2.514 364 R HA 0.657 4.996 4.340 -0.001 0.000 0.301 364 R C 0.066 176.383 176.300 0.029 0.000 0.962 364 R CA -0.882 55.239 56.100 0.036 0.000 0.882 364 R CB 1.233 31.553 30.300 0.032 0.000 1.143 364 R HN 0.251 nan 8.270 nan 0.000 0.452 365 I N 4.323 124.908 120.570 0.024 0.000 2.471 365 I HA -0.000 4.170 4.170 -0.001 0.000 0.286 365 I C 1.170 177.288 176.117 0.003 0.000 1.079 365 I CA 0.286 61.588 61.300 0.004 0.000 1.398 365 I CB 1.260 39.251 38.000 -0.014 0.000 1.403 365 I HN 0.704 nan 8.210 nan 0.000 0.530 366 E N 4.566 124.768 120.200 0.003 0.000 2.207 366 E HA 0.117 4.466 4.350 -0.001 0.000 0.197 366 E C -0.017 176.572 176.600 -0.019 0.000 0.914 366 E CA 0.485 56.887 56.400 0.003 0.000 0.914 366 E CB 0.633 30.346 29.700 0.021 0.000 0.893 366 E HN 0.650 nan 8.360 nan 0.000 0.479 367 Q N 0.471 120.260 119.800 -0.018 0.000 2.423 367 Q HA 0.568 4.907 4.340 -0.001 0.000 0.278 367 Q C -1.175 174.773 176.000 -0.086 0.000 1.097 367 Q CA -0.663 55.094 55.803 -0.076 0.000 0.809 367 Q CB 3.386 32.100 28.738 -0.040 0.000 1.391 367 Q HN -0.133 nan 8.270 nan 0.000 0.428 368 V N 1.558 121.344 119.914 -0.212 0.000 2.686 368 V HA 0.407 4.526 4.120 -0.001 0.000 0.306 368 V C -1.647 174.240 176.094 -0.345 0.000 1.065 368 V CA -0.832 61.369 62.300 -0.166 0.000 0.894 368 V CB 1.304 33.048 31.823 -0.131 0.000 1.004 368 V HN 0.649 nan 8.190 nan 0.000 0.424 369 Y N 2.345 122.623 120.300 -0.037 0.000 2.335 369 Y HA 0.760 5.309 4.550 -0.000 0.000 0.338 369 Y C 0.379 176.263 175.900 -0.027 0.000 0.977 369 Y CA -0.583 57.502 58.100 -0.025 0.000 1.114 369 Y CB 2.184 40.636 38.460 -0.014 0.000 1.182 369 Y HN 0.737 nan 8.280 nan 0.000 0.463 370 A N 3.993 126.862 122.820 0.081 0.000 2.310 370 A HA 0.649 4.968 4.320 -0.001 0.000 0.304 370 A C 0.081 177.698 177.584 0.056 0.000 1.231 370 A CA -0.952 51.113 52.037 0.047 0.000 0.799 370 A CB 0.299 19.296 19.000 -0.005 0.000 1.162 370 A HN 0.968 nan 8.150 nan 0.000 0.486 371 R N 1.643 122.180 120.500 0.063 0.000 3.336 371 R HA -0.239 4.100 4.340 -0.001 0.000 0.260 371 R C 1.157 177.492 176.300 0.060 0.000 1.032 371 R CA 1.003 57.131 56.100 0.048 0.000 0.693 371 R CB -1.885 28.428 30.300 0.021 0.000 1.134 371 R HN 2.406 nan 8.270 nan 0.000 0.433 372 G N -0.160 108.700 108.800 0.100 0.000 2.212 372 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.266 372 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.266 372 G C 0.092 175.119 174.900 0.212 0.000 0.978 372 G CA 0.899 46.068 45.100 0.115 0.000 0.632 372 G HN 0.466 nan 8.290 nan 0.000 0.537 373 K N 0.357 120.856 120.400 0.164 0.000 2.156 373 K HA 0.627 4.947 4.320 -0.001 0.000 0.271 373 K C 0.050 176.657 176.600 0.012 0.000 0.995 373 K CA -1.105 55.242 56.287 0.100 0.000 0.890 373 K CB 0.882 33.394 32.500 0.021 0.000 1.073 373 K HN 0.165 nan 8.250 nan 0.000 0.454 374 L N 6.018 127.187 121.223 -0.090 0.000 2.456 374 L HA 0.060 4.399 4.340 -0.001 0.000 0.277 374 L C 0.537 177.259 176.870 -0.245 0.000 1.124 374 L CA 0.463 55.070 54.840 -0.389 0.000 0.880 374 L CB 0.498 42.386 42.059 -0.286 0.000 1.192 374 L HN 0.856 nan 8.230 nan 0.000 0.463 375 M N 4.321 123.756 119.600 -0.275 0.000 2.567 375 M HA 0.280 4.760 4.480 -0.001 0.000 0.261 375 M C -0.145 176.066 176.300 -0.148 0.000 1.180 375 M CA 0.484 55.684 55.300 -0.167 0.000 1.143 375 M CB 0.093 32.613 32.600 -0.134 0.000 1.319 375 M HN 0.315 nan 8.290 nan 0.000 0.490 376 V N 0.901 120.700 119.914 -0.191 0.000 2.733 376 V HA 0.427 4.546 4.120 -0.001 0.000 0.306 376 V C -0.678 175.322 176.094 -0.156 0.000 1.084 376 V CA -1.049 61.166 62.300 -0.140 0.000 0.905 376 V CB 3.201 34.955 31.823 -0.115 0.000 1.010 376 V HN 0.144 nan 8.190 nan 0.000 0.424 377 K N 3.025 123.364 120.400 -0.101 0.000 2.507 377 K HA 0.413 4.732 4.320 -0.001 0.000 0.252 377 K C -0.821 175.754 176.600 -0.042 0.000 0.943 377 K CA -0.428 55.812 56.287 -0.078 0.000 0.808 377 K CB 1.235 33.695 32.500 -0.067 0.000 1.142 377 K HN 0.770 nan 8.250 nan 0.000 0.426 378 D N 3.041 123.425 120.400 -0.027 0.000 2.800 378 D HA -0.163 4.477 4.640 -0.001 0.000 0.232 378 D C 0.581 176.875 176.300 -0.010 0.000 1.137 378 D CA 1.698 55.691 54.000 -0.010 0.000 0.718 378 D CB -1.050 39.746 40.800 -0.006 0.000 1.084 378 D HN 1.113 nan 8.370 nan 0.000 0.432 379 G N -0.770 108.020 108.800 -0.017 0.000 2.168 379 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.263 379 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.263 379 G C 0.263 175.156 174.900 -0.013 0.000 0.977 379 G CA 0.925 46.019 45.100 -0.011 0.000 0.659 379 G HN 0.378 nan 8.290 nan 0.000 0.533 380 K N 0.062 120.448 120.400 -0.023 0.000 2.371 380 K HA 0.706 5.025 4.320 -0.001 0.000 0.251 380 K C 0.251 176.829 176.600 -0.037 0.000 0.934 380 K CA -0.104 56.170 56.287 -0.021 0.000 0.798 380 K CB 2.099 34.592 32.500 -0.013 0.000 1.204 380 K HN 0.600 nan 8.250 nan 0.000 0.427 381 A N 1.293 124.093 122.820 -0.034 0.000 2.520 381 A HA 0.096 4.415 4.320 -0.001 0.000 0.245 381 A C 1.109 178.666 177.584 -0.045 0.000 1.072 381 A CA -0.234 51.776 52.037 -0.046 0.000 0.761 381 A CB -0.503 18.476 19.000 -0.035 0.000 1.004 381 A HN 0.955 nan 8.150 nan 0.000 0.499 382 C N 0.980 120.245 119.300 -0.059 0.000 3.065 382 C HA 0.482 4.942 4.460 -0.001 0.000 0.285 382 C C 0.409 175.368 174.990 -0.052 0.000 1.257 382 C CA -0.386 58.600 59.018 -0.053 0.000 1.691 382 C CB -1.485 26.218 27.740 -0.061 0.000 2.089 382 C HN 0.451 nan 8.230 nan 0.000 0.630 383 V N 1.925 121.804 119.914 -0.059 0.000 2.444 383 V HA 0.485 4.605 4.120 -0.001 0.000 0.294 383 V C -0.557 175.505 176.094 -0.053 0.000 1.022 383 V CA -0.051 62.214 62.300 -0.058 0.000 0.850 383 V CB 1.629 33.412 31.823 -0.067 0.000 0.992 383 V HN 0.324 nan 8.190 nan 0.000 0.426 384 K N 2.108 122.478 120.400 -0.049 0.000 2.340 384 K HA 0.726 5.045 4.320 -0.001 0.000 0.244 384 K C 0.453 177.020 176.600 -0.056 0.000 0.973 384 K CA -0.396 55.866 56.287 -0.042 0.000 0.828 384 K CB 1.913 34.397 32.500 -0.027 0.000 1.226 384 K HN 0.863 nan 8.250 nan 0.000 0.437 385 G N 0.117 108.890 108.800 -0.044 0.000 2.559 385 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.235 385 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.235 385 G C 0.628 175.459 174.900 -0.115 0.000 1.266 385 G CA -0.177 44.888 45.100 -0.060 0.000 0.847 385 G HN 0.651 nan 8.290 nan 0.000 0.583 386 T N 1.033 115.457 114.554 -0.217 0.000 2.751 386 T HA -0.206 4.144 4.350 -0.001 0.000 0.268 386 T C 1.346 175.659 174.700 -0.645 0.000 1.045 386 T CA 1.797 63.613 62.100 -0.474 0.000 1.142 386 T CB -0.255 68.238 68.868 -0.625 0.000 0.851 386 T HN 0.464 nan 8.240 nan 0.000 0.474 387 F N 0.308 120.255 119.950 -0.005 0.000 2.688 387 F HA 0.306 4.833 4.527 -0.001 0.000 0.310 387 F C 0.815 176.616 175.800 0.002 0.000 1.098 387 F CA -0.746 57.254 58.000 -0.001 0.000 1.228 387 F CB 0.477 39.477 39.000 0.000 0.000 1.042 387 F HN 0.009 nan 8.300 nan 0.000 0.557 388 E N 1.500 121.768 120.200 0.113 0.000 2.398 388 E HA 0.293 4.643 4.350 -0.001 0.000 0.263 388 E C 0.249 176.892 176.600 0.073 0.000 1.046 388 E CA 0.329 56.778 56.400 0.081 0.000 0.908 388 E CB 1.004 30.727 29.700 0.039 0.000 0.963 388 E HN 0.178 nan 8.360 nan 0.000 0.431 389 T N 0.000 114.592 114.554 0.063 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 389 T CA 0.000 62.130 62.100 0.051 0.000 1.349 389 T CB 0.000 68.905 68.868 0.062 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658