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 2o0t_1_B DATA FIRST_RESID 2 DATA SEQUENCE NELLHLAPNV WPRNTTRDEV GVVCIAGIPL TQLAQEYGTP LFVIDEDDFR DATA SEQUENCE SRCRETAAAF GSGANVHYAA XAFLCSEVAR WISEEGLCLD VCTGGELAVA DATA SEQUENCE LHASFPPERI TLHGNNKSVS ELTAAVKAGV GHIVVDSMTE IERLDAIAGE DATA SEQUENCE AGIVQDVLVR LTVGVEAHTH EFISTAHEDQ KFGLSVASGA AMAAVRRVFA DATA SEQUENCE TDHLRLVGLH SHIGSQIFDV DGFELAAHRV IGLLRDVVGE FGPEKTAQIA DATA SEQUENCE TVDLGGGLGI SYLPSDDPPP IAELAAKLGT IVSDESTAVG LPTPKLVVEP DATA SEQUENCE GRAIAGPGTI TLYEVGTVKD VDVSATAHRR YVSVDGGMSD NIRTALYGAQ DATA SEQUENCE YDVRLVSRVS DAPPVPARLV GKHCESGDII VRDTWVPDDI RPGDLVAVAA DATA SEQUENCE TGAYCYSLSS RYNMVGRPAV VAVHAGNARL VLRRETVDDL LSLEVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.508 175.510 -0.003 0.000 1.280 2 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 2 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 3 E N 0.950 121.144 120.200 -0.009 0.000 2.452 3 E HA 0.218 4.567 4.350 -0.002 0.000 0.197 3 E C 1.189 177.811 176.600 0.036 0.000 1.022 3 E CA 0.061 56.459 56.400 -0.004 0.000 0.890 3 E CB 0.453 30.127 29.700 -0.043 0.000 0.918 3 E HN 0.127 nan 8.360 nan 0.000 0.496 4 L N 0.787 122.028 121.223 0.031 0.000 2.554 4 L HA 0.092 4.431 4.340 -0.002 0.000 0.226 4 L C 1.482 178.378 176.870 0.044 0.000 1.137 4 L CA 0.870 55.743 54.840 0.056 0.000 0.863 4 L CB -0.178 41.920 42.059 0.066 0.000 0.985 4 L HN 0.232 nan 8.230 nan 0.000 0.451 5 L N -2.484 118.757 121.223 0.031 0.000 2.307 5 L HA 0.095 4.433 4.340 -0.002 0.000 0.211 5 L C 1.448 178.303 176.870 -0.026 0.000 1.099 5 L CA 0.735 55.572 54.840 -0.004 0.000 0.816 5 L CB -1.067 40.993 42.059 0.001 0.000 0.952 5 L HN 0.129 nan 8.230 nan 0.000 0.455 6 H N 1.863 120.890 119.070 -0.072 0.000 2.848 6 H HA 0.257 4.811 4.556 -0.002 0.000 0.341 6 H C -0.914 174.329 175.328 -0.142 0.000 1.060 6 H CA -0.067 55.931 56.048 -0.084 0.000 1.444 6 H CB 0.636 30.378 29.762 -0.033 0.000 1.446 6 H HN 0.272 nan 8.280 nan 0.000 0.583 7 L N 5.239 125.989 121.223 -0.787 0.000 2.313 7 L HA 0.307 4.646 4.340 -0.002 0.000 0.273 7 L C 0.478 176.929 176.870 -0.698 0.000 1.028 7 L CA -0.828 53.492 54.840 -0.868 0.000 0.871 7 L CB 1.176 42.583 42.059 -1.087 0.000 1.242 7 L HN 0.610 nan 8.230 nan 0.000 0.434 8 A N 4.868 127.543 122.820 -0.242 0.000 2.537 8 A HA 0.218 4.537 4.320 -0.002 0.000 0.260 8 A C -1.441 176.238 177.584 0.158 0.000 1.082 8 A CA -0.775 51.277 52.037 0.025 0.000 0.765 8 A CB -0.108 19.030 19.000 0.229 0.000 1.019 8 A HN 0.546 nan 8.150 nan 0.000 0.507 9 P HA -0.167 nan 4.420 nan 0.000 0.221 9 P C 1.067 178.426 177.300 0.099 0.000 1.145 9 P CA 1.413 64.576 63.100 0.104 0.000 0.795 9 P CB 0.025 31.770 31.700 0.075 0.000 0.775 10 N N -0.834 117.918 118.700 0.088 0.000 2.409 10 N HA -0.058 4.681 4.740 -0.002 0.000 0.179 10 N C 1.278 176.798 175.510 0.017 0.000 1.032 10 N CA 0.974 54.047 53.050 0.038 0.000 0.898 10 N CB -1.200 37.299 38.487 0.021 0.000 0.971 10 N HN 0.075 nan 8.380 nan 0.000 0.441 11 V N -0.864 119.087 119.914 0.062 0.000 2.492 11 V HA 0.114 4.233 4.120 -0.002 0.000 0.241 11 V C 0.578 176.548 176.094 -0.207 0.000 1.041 11 V CA 0.350 62.612 62.300 -0.063 0.000 1.057 11 V CB -0.408 31.401 31.823 -0.023 0.000 0.711 11 V HN 0.129 nan 8.190 nan 0.000 0.468 12 W N 0.122 121.418 121.300 -0.007 0.000 2.183 12 W HA 0.424 5.083 4.660 -0.002 0.000 0.348 12 W C -2.172 174.346 176.519 -0.002 0.000 1.257 12 W CA -2.294 55.049 57.345 -0.003 0.000 1.324 12 W CB -0.730 28.713 29.460 -0.027 0.000 1.144 12 W HN -0.036 nan 8.180 nan 0.000 0.622 13 P HA 0.042 nan 4.420 nan 0.000 0.268 13 P C 0.619 177.985 177.300 0.109 0.000 1.208 13 P CA 0.156 63.324 63.100 0.112 0.000 0.777 13 P CB 0.602 32.373 31.700 0.118 0.000 0.875 14 R N 1.495 122.033 120.500 0.062 0.000 2.139 14 R HA -0.109 4.230 4.340 -0.002 0.000 0.243 14 R C 0.740 177.060 176.300 0.034 0.000 1.145 14 R CA 1.212 57.337 56.100 0.042 0.000 0.976 14 R CB -0.310 30.001 30.300 0.017 0.000 0.866 14 R HN 0.502 nan 8.270 nan 0.000 0.449 15 N N 0.346 119.066 118.700 0.032 0.000 2.320 15 N HA 0.032 4.771 4.740 -0.002 0.000 0.237 15 N C -0.747 174.782 175.510 0.031 0.000 1.129 15 N CA 0.223 53.282 53.050 0.014 0.000 0.854 15 N CB 1.106 39.584 38.487 -0.015 0.000 1.083 15 N HN 0.030 nan 8.380 nan 0.000 0.504 16 T N 1.193 115.781 114.554 0.056 0.000 2.832 16 T HA 0.306 4.655 4.350 -0.002 0.000 0.296 16 T C 0.931 175.632 174.700 0.001 0.000 0.968 16 T CA -0.052 62.078 62.100 0.049 0.000 1.107 16 T CB 1.209 70.142 68.868 0.109 0.000 0.916 16 T HN 0.261 nan 8.240 nan 0.000 0.517 17 T N 0.801 115.344 114.554 -0.018 0.000 2.838 17 T HA 0.683 5.032 4.350 -0.002 0.000 0.292 17 T C -0.796 173.872 174.700 -0.054 0.000 1.113 17 T CA -1.224 60.857 62.100 -0.033 0.000 1.008 17 T CB 1.954 70.813 68.868 -0.016 0.000 1.259 17 T HN 0.517 nan 8.240 nan 0.000 0.520 18 R N 0.622 121.092 120.500 -0.051 0.000 2.494 18 R HA 0.319 4.658 4.340 -0.002 0.000 0.305 18 R C -0.491 175.792 176.300 -0.029 0.000 0.959 18 R CA -0.583 55.487 56.100 -0.051 0.000 0.864 18 R CB 1.068 31.328 30.300 -0.067 0.000 1.159 18 R HN 0.797 nan 8.270 nan 0.000 0.446 19 D N 1.686 122.073 120.400 -0.023 0.000 2.351 19 D HA -0.113 4.526 4.640 -0.002 0.000 0.232 19 D C 0.480 176.773 176.300 -0.012 0.000 1.275 19 D CA 0.744 54.736 54.000 -0.013 0.000 0.882 19 D CB 0.857 41.651 40.800 -0.009 0.000 1.221 19 D HN 0.539 nan 8.370 nan 0.000 0.485 20 E N 0.308 120.504 120.200 -0.007 0.000 2.481 20 E HA -0.048 4.301 4.350 -0.002 0.000 0.195 20 E C 1.561 178.158 176.600 -0.005 0.000 1.047 20 E CA 0.253 56.649 56.400 -0.006 0.000 0.867 20 E CB 0.111 29.809 29.700 -0.003 0.000 0.858 20 E HN 0.377 nan 8.360 nan 0.000 0.513 21 V N -3.586 116.325 119.914 -0.005 0.000 3.621 21 V HA 0.467 4.586 4.120 -0.002 0.000 0.285 21 V C 1.205 177.296 176.094 -0.006 0.000 1.346 21 V CA 0.514 62.812 62.300 -0.003 0.000 1.104 21 V CB 0.013 31.836 31.823 -0.000 0.000 0.913 21 V HN 0.152 nan 8.190 nan 0.000 0.432 22 G N 0.253 109.046 108.800 -0.011 0.000 2.142 22 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.225 22 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.225 22 G C -0.141 174.745 174.900 -0.022 0.000 1.015 22 G CA -0.027 45.063 45.100 -0.018 0.000 0.716 22 G HN 0.871 nan 8.290 nan 0.000 0.508 23 V N 0.678 120.580 119.914 -0.019 0.000 2.435 23 V HA 0.560 4.679 4.120 -0.002 0.000 0.290 23 V C 1.041 177.116 176.094 -0.030 0.000 1.030 23 V CA -0.946 61.343 62.300 -0.019 0.000 0.881 23 V CB 1.920 33.742 31.823 -0.003 0.000 0.983 23 V HN 0.266 nan 8.190 nan 0.000 0.445 24 V N 3.897 123.783 119.914 -0.046 0.000 2.521 24 V HA 0.085 4.204 4.120 -0.002 0.000 0.286 24 V C 0.330 176.413 176.094 -0.019 0.000 1.034 24 V CA -0.047 62.215 62.300 -0.063 0.000 1.045 24 V CB 0.436 32.193 31.823 -0.111 0.000 0.974 24 V HN 1.021 nan 8.190 nan 0.000 0.480 25 C N 6.407 125.700 119.300 -0.012 0.000 2.366 25 C HA 0.639 5.098 4.460 -0.002 0.000 0.345 25 C C 0.140 175.145 174.990 0.026 0.000 1.209 25 C CA -0.852 58.173 59.018 0.012 0.000 2.050 25 C CB 0.630 28.376 27.740 0.010 0.000 2.359 25 C HN 0.667 nan 8.230 nan 0.000 0.527 26 I N 2.360 122.956 120.570 0.043 0.000 2.406 26 I HA 0.398 4.566 4.170 -0.002 0.000 0.290 26 I C 0.838 176.977 176.117 0.037 0.000 0.999 26 I CA -0.238 61.093 61.300 0.052 0.000 1.124 26 I CB 1.314 39.360 38.000 0.077 0.000 1.289 26 I HN 0.941 nan 8.210 nan 0.000 0.441 27 A N 4.667 127.499 122.820 0.020 0.000 2.748 27 A HA -0.152 4.167 4.320 -0.002 0.000 0.297 27 A C 1.390 178.980 177.584 0.010 0.000 1.508 27 A CA 1.184 53.220 52.037 -0.002 0.000 0.799 27 A CB -1.849 17.143 19.000 -0.014 0.000 1.011 27 A HN 1.938 nan 8.150 nan 0.000 0.500 28 G N -2.801 106.008 108.800 0.014 0.000 2.176 28 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.253 28 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.253 28 G C 0.052 174.969 174.900 0.027 0.000 0.979 28 G CA 0.374 45.484 45.100 0.017 0.000 0.641 28 G HN 1.489 nan 8.290 nan 0.000 0.530 29 I N 1.864 122.457 120.570 0.037 0.000 2.339 29 I HA 0.360 4.529 4.170 -0.002 0.000 0.290 29 I C -2.204 173.939 176.117 0.044 0.000 0.994 29 I CA -2.661 58.668 61.300 0.048 0.000 1.191 29 I CB 2.006 40.048 38.000 0.069 0.000 1.343 29 I HN -0.195 nan 8.210 nan 0.000 0.458 30 P HA 0.000 nan 4.420 nan 0.000 0.265 30 P C 0.558 177.886 177.300 0.046 0.000 1.193 30 P CA -0.265 62.855 63.100 0.032 0.000 0.765 30 P CB 0.600 32.316 31.700 0.026 0.000 0.823 31 L N 3.304 124.553 121.223 0.042 0.000 2.131 31 L HA -0.155 4.183 4.340 -0.002 0.000 0.210 31 L C 2.361 179.263 176.870 0.054 0.000 1.092 31 L CA 2.324 57.195 54.840 0.052 0.000 0.759 31 L CB -1.958 40.129 42.059 0.046 0.000 0.903 31 L HN 0.442 nan 8.230 nan 0.000 0.435 32 T N -3.593 110.986 114.554 0.041 0.000 2.788 32 T HA -0.300 4.049 4.350 -0.002 0.000 0.268 32 T C 1.781 176.507 174.700 0.043 0.000 1.044 32 T CA 1.454 63.577 62.100 0.038 0.000 1.139 32 T CB -0.406 68.478 68.868 0.026 0.000 0.867 32 T HN 0.434 nan 8.240 nan 0.000 0.454 33 Q N 0.768 120.595 119.800 0.046 0.000 2.079 33 Q HA -0.013 4.326 4.340 -0.002 0.000 0.200 33 Q C 2.356 178.402 176.000 0.076 0.000 0.974 33 Q CA 1.133 56.963 55.803 0.045 0.000 0.840 33 Q CB -0.396 28.370 28.738 0.046 0.000 0.898 33 Q HN 0.622 nan 8.270 nan 0.000 0.430 34 L N 0.255 121.553 121.223 0.126 0.000 2.046 34 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 34 L C 2.638 179.638 176.870 0.216 0.000 1.077 34 L CA 1.060 56.042 54.840 0.236 0.000 0.747 34 L CB -0.719 41.458 42.059 0.195 0.000 0.896 34 L HN 0.293 nan 8.230 nan 0.000 0.432 35 A N -0.460 122.432 122.820 0.121 0.000 1.902 35 A HA -0.286 4.033 4.320 -0.002 0.000 0.217 35 A C 2.276 179.900 177.584 0.066 0.000 1.181 35 A CA 1.907 54.001 52.037 0.093 0.000 0.623 35 A CB -0.556 18.483 19.000 0.065 0.000 0.818 35 A HN 0.474 nan 8.150 nan 0.000 0.443 36 Q N -0.979 118.844 119.800 0.038 0.000 2.050 36 Q HA -0.237 4.102 4.340 -0.002 0.000 0.202 36 Q C 2.091 178.058 176.000 -0.055 0.000 0.980 36 Q CA 1.930 57.732 55.803 -0.001 0.000 0.840 36 Q CB -0.120 28.614 28.738 -0.007 0.000 0.898 36 Q HN 0.635 nan 8.270 nan 0.000 0.424 37 E N -0.795 119.333 120.200 -0.121 0.000 2.072 37 E HA -0.148 4.201 4.350 -0.002 0.000 0.190 37 E C 0.755 177.097 176.600 -0.430 0.000 0.982 37 E CA 1.523 57.697 56.400 -0.376 0.000 0.803 37 E CB -0.021 29.274 29.700 -0.676 0.000 0.755 37 E HN 0.554 nan 8.360 nan 0.000 0.453 38 Y N -1.215 119.102 120.300 0.029 0.000 2.453 38 Y HA 0.403 4.952 4.550 -0.002 0.000 0.247 38 Y C 0.889 176.810 175.900 0.035 0.000 1.124 38 Y CA 0.025 58.145 58.100 0.034 0.000 1.243 38 Y CB 1.233 39.716 38.460 0.038 0.000 1.213 38 Y HN 0.165 nan 8.280 nan 0.000 0.523 39 G N 1.140 110.028 108.800 0.147 0.000 2.814 39 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.677 39 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.677 39 G C -0.276 174.685 174.900 0.101 0.000 1.429 39 G CA -0.350 44.813 45.100 0.104 0.000 0.868 39 G HN 0.345 nan 8.290 nan 0.000 0.553 40 T N -0.922 113.678 114.554 0.076 0.000 2.930 40 T HA 0.814 5.163 4.350 -0.002 0.000 0.290 40 T C -2.682 172.063 174.700 0.075 0.000 1.052 40 T CA -1.412 60.723 62.100 0.059 0.000 1.017 40 T CB 2.365 71.271 68.868 0.063 0.000 1.137 40 T HN 0.578 nan 8.240 nan 0.000 0.511 41 P HA 0.467 nan 4.420 nan 0.000 0.270 41 P C -1.237 176.012 177.300 -0.085 0.000 1.223 41 P CA -0.590 62.479 63.100 -0.052 0.000 0.785 41 P CB 0.298 31.972 31.700 -0.043 0.000 0.923 42 L N 2.221 123.310 121.223 -0.223 0.000 2.470 42 L HA 0.478 4.817 4.340 -0.002 0.000 0.268 42 L C -1.507 175.208 176.870 -0.258 0.000 0.964 42 L CA -0.521 54.248 54.840 -0.117 0.000 0.839 42 L CB 0.924 42.964 42.059 -0.033 0.000 1.276 42 L HN 0.120 nan 8.230 nan 0.000 0.403 43 F N 4.689 124.577 119.950 -0.103 0.000 2.445 43 F HA 0.470 4.996 4.527 -0.002 0.000 0.359 43 F C 0.267 175.993 175.800 -0.124 0.000 1.101 43 F CA -0.099 57.821 58.000 -0.133 0.000 1.177 43 F CB 1.192 40.091 39.000 -0.168 0.000 1.110 43 F HN 0.133 nan 8.300 nan 0.000 0.522 44 V N 6.131 126.066 119.914 0.035 0.000 2.357 44 V HA 0.353 4.472 4.120 -0.002 0.000 0.284 44 V C 0.064 176.194 176.094 0.061 0.000 1.018 44 V CA -0.755 61.561 62.300 0.027 0.000 0.841 44 V CB 1.300 33.135 31.823 0.021 0.000 0.991 44 V HN 0.489 nan 8.190 nan 0.000 0.437 45 I N 3.703 124.316 120.570 0.072 0.000 2.312 45 I HA 0.297 4.466 4.170 -0.002 0.000 0.290 45 I C 0.028 176.224 176.117 0.132 0.000 1.008 45 I CA -0.345 61.030 61.300 0.125 0.000 1.226 45 I CB 1.328 39.432 38.000 0.173 0.000 1.371 45 I HN 0.512 nan 8.210 nan 0.000 0.468 46 D N 6.712 127.185 120.400 0.122 0.000 2.383 46 D HA -0.024 4.615 4.640 -0.002 0.000 0.245 46 D C 1.027 177.365 176.300 0.064 0.000 1.263 46 D CA 0.357 54.404 54.000 0.077 0.000 0.936 46 D CB 0.772 41.616 40.800 0.073 0.000 1.053 46 D HN 0.593 nan 8.370 nan 0.000 0.507 47 E N 2.837 123.023 120.200 -0.023 0.000 2.051 47 E HA -0.206 4.143 4.350 -0.002 0.000 0.192 47 E C 1.082 177.534 176.600 -0.246 0.000 0.991 47 E CA 0.757 56.998 56.400 -0.265 0.000 0.799 47 E CB 0.225 29.689 29.700 -0.393 0.000 0.748 47 E HN 0.545 nan 8.360 nan 0.000 0.449 48 D N 0.655 120.927 120.400 -0.215 0.000 2.133 48 D HA -0.211 4.428 4.640 -0.002 0.000 0.195 48 D C 1.759 178.021 176.300 -0.064 0.000 0.997 48 D CA 1.199 55.086 54.000 -0.188 0.000 0.840 48 D CB -0.221 40.430 40.800 -0.249 0.000 0.947 48 D HN 0.259 nan 8.370 nan 0.000 0.452 49 D N -0.138 120.254 120.400 -0.012 0.000 2.092 49 D HA -0.210 4.429 4.640 -0.002 0.000 0.193 49 D C 2.221 178.570 176.300 0.082 0.000 0.994 49 D CA 0.767 54.787 54.000 0.034 0.000 0.828 49 D CB -0.594 40.240 40.800 0.056 0.000 0.963 49 D HN 0.251 nan 8.370 nan 0.000 0.450 50 F N 1.405 121.344 119.950 -0.019 0.000 2.095 50 F HA -0.166 4.360 4.527 -0.002 0.000 0.298 50 F C 2.743 178.539 175.800 -0.007 0.000 1.104 50 F CA 1.573 59.592 58.000 0.031 0.000 1.232 50 F CB -0.054 39.038 39.000 0.153 0.000 0.987 50 F HN -0.136 nan 8.300 nan 0.000 0.475 51 R N -0.246 120.410 120.500 0.261 0.000 2.081 51 R HA -0.142 4.197 4.340 -0.002 0.000 0.235 51 R C 2.420 178.745 176.300 0.042 0.000 1.131 51 R CA 1.514 57.692 56.100 0.130 0.000 0.960 51 R CB -0.769 29.521 30.300 -0.016 0.000 0.856 51 R HN 0.245 nan 8.270 nan 0.000 0.436 52 S N 0.558 116.265 115.700 0.011 0.000 2.365 52 S HA -0.171 4.297 4.470 -0.002 0.000 0.225 52 S C 1.850 176.443 174.600 -0.011 0.000 1.039 52 S CA 1.408 59.605 58.200 -0.005 0.000 1.033 52 S CB -0.168 63.025 63.200 -0.012 0.000 0.887 52 S HN 0.203 nan 8.310 nan 0.000 0.447 53 R N 0.499 120.978 120.500 -0.036 0.000 2.091 53 R HA -0.029 4.310 4.340 -0.002 0.000 0.238 53 R C 2.521 178.789 176.300 -0.054 0.000 1.136 53 R CA 1.476 57.537 56.100 -0.064 0.000 0.959 53 R CB -1.129 29.083 30.300 -0.147 0.000 0.856 53 R HN 0.423 nan 8.270 nan 0.000 0.437 54 C N -0.439 118.819 119.300 -0.069 0.000 2.413 54 C HA -0.091 4.368 4.460 -0.002 0.000 0.277 54 C C 2.524 177.535 174.990 0.035 0.000 1.228 54 C CA 0.844 59.854 59.018 -0.013 0.000 1.731 54 C CB -0.766 26.997 27.740 0.039 0.000 2.042 54 C HN 0.482 nan 8.230 nan 0.000 0.468 55 R N 0.934 121.453 120.500 0.032 0.000 2.081 55 R HA -0.139 4.200 4.340 -0.002 0.000 0.235 55 R C 2.235 178.557 176.300 0.037 0.000 1.131 55 R CA 1.845 57.967 56.100 0.036 0.000 0.960 55 R CB -0.354 29.960 30.300 0.023 0.000 0.856 55 R HN 0.783 nan 8.270 nan 0.000 0.436 56 E N -0.577 119.640 120.200 0.029 0.000 2.158 56 E HA -0.062 4.287 4.350 -0.002 0.000 0.191 56 E C 1.286 177.922 176.600 0.061 0.000 0.982 56 E CA 1.280 57.697 56.400 0.029 0.000 0.823 56 E CB -0.089 29.619 29.700 0.014 0.000 0.766 56 E HN 0.076 nan 8.360 nan 0.000 0.468 57 T N 1.200 115.809 114.554 0.092 0.000 2.812 57 T HA -0.003 4.345 4.350 -0.002 0.000 0.264 57 T C 2.070 176.917 174.700 0.244 0.000 1.042 57 T CA 1.205 63.421 62.100 0.193 0.000 1.140 57 T CB -0.202 68.753 68.868 0.146 0.000 0.870 57 T HN 0.378 nan 8.240 nan 0.000 0.445 58 A N 1.647 124.557 122.820 0.150 0.000 1.883 58 A HA 0.101 4.420 4.320 -0.002 0.000 0.217 58 A C 2.639 180.298 177.584 0.125 0.000 1.186 58 A CA 1.915 54.038 52.037 0.144 0.000 0.624 58 A CB -1.141 17.920 19.000 0.102 0.000 0.822 58 A HN 0.505 nan 8.150 nan 0.000 0.444 59 A N -0.298 122.568 122.820 0.077 0.000 1.898 59 A HA 0.203 4.522 4.320 -0.002 0.000 0.216 59 A C 2.497 180.080 177.584 -0.002 0.000 1.181 59 A CA 1.986 54.044 52.037 0.035 0.000 0.620 59 A CB -0.998 18.010 19.000 0.014 0.000 0.819 59 A HN 1.087 nan 8.150 nan 0.000 0.442 60 A N -1.426 121.381 122.820 -0.020 0.000 1.972 60 A HA 0.025 4.344 4.320 -0.002 0.000 0.219 60 A C 1.627 178.978 177.584 -0.387 0.000 1.169 60 A CA 1.300 53.217 52.037 -0.200 0.000 0.635 60 A CB -0.619 18.239 19.000 -0.236 0.000 0.810 60 A HN 0.482 nan 8.150 nan 0.000 0.446 61 F N -1.106 118.832 119.950 -0.019 0.000 2.693 61 F HA 0.371 4.897 4.527 -0.002 0.000 0.303 61 F C 1.852 177.646 175.800 -0.011 0.000 1.097 61 F CA 0.684 58.669 58.000 -0.025 0.000 1.330 61 F CB 0.418 39.400 39.000 -0.031 0.000 1.067 61 F HN 0.382 nan 8.300 nan 0.000 0.565 62 G N -0.042 108.801 108.800 0.071 0.000 2.258 62 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.233 62 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.233 62 G C 0.328 175.270 174.900 0.070 0.000 1.006 62 G CA 0.128 45.259 45.100 0.052 0.000 0.620 62 G HN 0.683 nan 8.290 nan 0.000 0.511 63 S N -1.843 113.920 115.700 0.105 0.000 2.646 63 S HA 0.543 5.012 4.470 -0.002 0.000 0.282 63 S C 1.096 175.768 174.600 0.121 0.000 1.086 63 S CA 0.746 59.003 58.200 0.095 0.000 0.846 63 S CB 0.635 63.883 63.200 0.081 0.000 1.070 63 S HN 1.708 nan 8.310 nan 0.000 0.452 64 G N 1.758 110.623 108.800 0.108 0.000 2.462 64 G HA2 0.059 4.018 3.960 -0.002 0.000 0.220 64 G HA3 0.059 4.018 3.960 -0.002 0.000 0.220 64 G C 1.514 176.499 174.900 0.141 0.000 1.121 64 G CA 1.109 46.282 45.100 0.122 0.000 0.758 64 G HN 1.364 nan 8.290 nan 0.000 0.559 65 A N 0.903 123.799 122.820 0.127 0.000 2.070 65 A HA -0.031 4.288 4.320 -0.002 0.000 0.220 65 A C 1.953 179.663 177.584 0.210 0.000 1.159 65 A CA 1.450 53.573 52.037 0.142 0.000 0.656 65 A CB -0.372 18.694 19.000 0.110 0.000 0.800 65 A HN 0.527 nan 8.150 nan 0.000 0.453 66 N N -1.085 117.713 118.700 0.164 0.000 2.280 66 N HA 0.209 4.948 4.740 -0.002 0.000 0.192 66 N C -0.918 174.597 175.510 0.009 0.000 1.109 66 N CA -0.098 53.009 53.050 0.095 0.000 0.855 66 N CB 0.912 39.460 38.487 0.101 0.000 0.974 66 N HN 0.185 nan 8.380 nan 0.000 0.482 67 V N 1.488 121.491 119.914 0.148 0.000 2.376 67 V HA 0.188 4.307 4.120 -0.002 0.000 0.287 67 V C -0.771 175.497 176.094 0.291 0.000 1.015 67 V CA -0.728 61.618 62.300 0.077 0.000 0.834 67 V CB 0.935 32.791 31.823 0.056 0.000 1.001 67 V HN 0.254 nan 8.190 nan 0.000 0.428 68 H N 4.418 123.480 119.070 -0.013 0.000 2.623 68 H HA 0.289 4.844 4.556 -0.002 0.000 0.299 68 H C -0.887 174.468 175.328 0.045 0.000 1.052 68 H CA -0.702 55.365 56.048 0.031 0.000 1.231 68 H CB 1.342 31.109 29.762 0.009 0.000 1.389 68 H HN 0.688 nan 8.280 nan 0.000 0.469 69 Y N 2.911 123.253 120.300 0.069 0.000 2.544 69 Y HA 0.175 4.724 4.550 -0.002 0.000 0.330 69 Y C -0.231 175.664 175.900 -0.008 0.000 1.136 69 Y CA -1.043 57.069 58.100 0.019 0.000 1.417 69 Y CB 0.408 38.888 38.460 0.032 0.000 1.229 69 Y HN 0.658 nan 8.280 nan 0.000 0.532 70 A N 7.147 129.574 122.820 -0.655 0.000 2.437 70 A HA 0.626 4.945 4.320 -0.002 0.000 0.303 70 A C 0.447 177.461 177.584 -0.949 0.000 1.324 70 A CA -0.077 51.609 52.037 -0.584 0.000 0.983 70 A CB -1.063 17.742 19.000 -0.326 0.000 1.142 70 A HN 1.109 nan 8.150 nan 0.000 0.541 74 F N -0.347 119.546 119.950 -0.095 0.000 2.655 74 F HA 0.573 5.099 4.527 -0.002 0.000 0.324 74 F C -2.515 173.335 175.800 0.084 0.000 1.081 74 F CA -0.935 57.072 58.000 0.013 0.000 1.088 74 F CB 1.095 40.112 39.000 0.028 0.000 1.327 74 F HN 0.433 nan 8.300 nan 0.000 0.522 75 L N 7.646 128.506 121.223 -0.604 0.000 2.431 75 L HA 0.929 5.268 4.340 -0.002 0.000 0.266 75 L C -1.254 175.181 176.870 -0.725 0.000 0.978 75 L CA -0.341 54.168 54.840 -0.552 0.000 0.822 75 L CB 1.728 43.649 42.059 -0.230 0.000 1.310 75 L HN 0.991 nan 8.230 nan 0.000 0.409 76 C N 0.348 119.248 119.300 -0.666 0.000 3.332 76 C HA 0.591 5.050 4.460 -0.002 0.000 0.329 76 C C 1.483 176.270 174.990 -0.338 0.000 1.434 76 C CA -0.045 58.699 59.018 -0.457 0.000 1.314 76 C CB 1.072 28.509 27.740 -0.504 0.000 1.664 76 C HN 0.798 nan 8.230 nan 0.000 0.457 77 S N 0.214 115.789 115.700 -0.209 0.000 2.370 77 S HA -0.193 4.276 4.470 -0.002 0.000 0.226 77 S C 1.678 176.147 174.600 -0.219 0.000 1.033 77 S CA 2.307 60.435 58.200 -0.119 0.000 1.011 77 S CB -0.442 62.759 63.200 0.002 0.000 0.852 77 S HN 0.934 nan 8.310 nan 0.000 0.457 78 E N 1.265 121.264 120.200 -0.335 0.000 2.038 78 E HA -0.127 4.222 4.350 -0.002 0.000 0.195 78 E C 1.898 177.941 176.600 -0.927 0.000 1.000 78 E CA 1.408 57.502 56.400 -0.512 0.000 0.803 78 E CB -0.472 28.920 29.700 -0.513 0.000 0.750 78 E HN 0.254 nan 8.360 nan 0.000 0.448 79 V N 0.770 120.106 119.914 -0.964 0.000 2.343 79 V HA -0.261 3.858 4.120 -0.002 0.000 0.247 79 V C 2.369 178.224 176.094 -0.399 0.000 1.051 79 V CA 1.789 63.507 62.300 -0.970 0.000 1.036 79 V CB -0.981 30.365 31.823 -0.794 0.000 0.654 79 V HN 0.479 nan 8.190 nan 0.000 0.451 80 A N -0.034 122.652 122.820 -0.223 0.000 1.908 80 A HA -0.301 4.017 4.320 -0.002 0.000 0.218 80 A C 2.404 180.103 177.584 0.192 0.000 1.181 80 A CA 2.252 54.312 52.037 0.038 0.000 0.627 80 A CB -0.632 18.399 19.000 0.053 0.000 0.818 80 A HN 0.496 nan 8.150 nan 0.000 0.445 81 R N -1.348 119.179 120.500 0.046 0.000 2.083 81 R HA -0.216 4.123 4.340 -0.002 0.000 0.237 81 R C 1.977 178.430 176.300 0.255 0.000 1.137 81 R CA 2.112 58.279 56.100 0.111 0.000 0.951 81 R CB -0.351 29.987 30.300 0.064 0.000 0.851 81 R HN 0.694 nan 8.270 nan 0.000 0.434 82 W N 0.846 122.138 121.300 -0.012 0.000 2.355 82 W HA -0.150 4.509 4.660 -0.002 0.000 0.309 82 W C 2.081 178.666 176.519 0.110 0.000 1.206 82 W CA 0.137 57.483 57.345 0.001 0.000 1.284 82 W CB -0.953 28.422 29.460 -0.141 0.000 1.145 82 W HN 0.112 nan 8.180 nan 0.000 0.502 83 I N 0.116 120.921 120.570 0.392 0.000 2.127 83 I HA -0.317 3.852 4.170 -0.002 0.000 0.241 83 I C 2.589 178.935 176.117 0.383 0.000 1.075 83 I CA 2.052 63.580 61.300 0.381 0.000 1.334 83 I CB -1.838 36.369 38.000 0.346 0.000 1.040 83 I HN 0.002 nan 8.210 nan 0.000 0.405 84 S N 0.367 116.294 115.700 0.379 0.000 2.359 84 S HA -0.224 4.245 4.470 -0.002 0.000 0.224 84 S C 1.891 176.505 174.600 0.023 0.000 1.035 84 S CA 1.711 59.924 58.200 0.022 0.000 1.018 84 S CB -0.142 62.917 63.200 -0.235 0.000 0.876 84 S HN 0.476 nan 8.310 nan 0.000 0.448 85 E N 0.206 120.457 120.200 0.085 0.000 2.110 85 E HA -0.102 4.247 4.350 -0.002 0.000 0.193 85 E C 1.909 178.552 176.600 0.072 0.000 0.988 85 E CA 1.077 57.516 56.400 0.065 0.000 0.804 85 E CB -0.062 29.688 29.700 0.083 0.000 0.745 85 E HN 0.462 nan 8.360 nan 0.000 0.458 86 E N -0.500 119.771 120.200 0.119 0.000 2.482 86 E HA -0.020 4.329 4.350 -0.002 0.000 0.196 86 E C 1.144 177.803 176.600 0.098 0.000 1.047 86 E CA 0.699 57.164 56.400 0.108 0.000 0.869 86 E CB 0.518 30.307 29.700 0.148 0.000 0.836 86 E HN 0.404 nan 8.360 nan 0.000 0.520 87 G N 1.031 109.888 108.800 0.095 0.000 2.132 87 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.234 87 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.234 87 G C 0.310 175.281 174.900 0.117 0.000 0.989 87 G CA 0.348 45.495 45.100 0.078 0.000 0.676 87 G HN 0.190 nan 8.290 nan 0.000 0.522 88 L N -0.662 120.666 121.223 0.175 0.000 2.431 88 L HA 0.608 4.947 4.340 -0.002 0.000 0.260 88 L C 1.302 178.337 176.870 0.274 0.000 1.098 88 L CA -1.079 53.884 54.840 0.204 0.000 0.800 88 L CB 0.684 42.868 42.059 0.207 0.000 1.210 88 L HN 0.197 nan 8.230 nan 0.000 0.465 89 C N 0.929 120.337 119.300 0.180 0.000 2.345 89 C HA 0.631 5.090 4.460 -0.002 0.000 0.369 89 C C 0.112 175.117 174.990 0.025 0.000 1.273 89 C CA -0.411 58.653 59.018 0.075 0.000 2.310 89 C CB 1.262 28.724 27.740 -0.463 0.000 2.219 89 C HN 0.527 nan 8.230 nan 0.000 0.587 90 L N 1.634 122.748 121.223 -0.181 0.000 2.409 90 L HA 0.518 4.856 4.340 -0.002 0.000 0.272 90 L C -1.380 175.365 176.870 -0.209 0.000 0.980 90 L CA 0.155 54.804 54.840 -0.318 0.000 0.826 90 L CB 1.390 42.877 42.059 -0.954 0.000 1.268 90 L HN 0.562 nan 8.230 nan 0.000 0.407 91 D N 3.718 124.051 120.400 -0.112 0.000 2.232 91 D HA 0.537 5.176 4.640 -0.002 0.000 0.242 91 D C -0.489 175.770 176.300 -0.069 0.000 1.093 91 D CA 0.193 54.186 54.000 -0.012 0.000 0.845 91 D CB 1.882 42.718 40.800 0.061 0.000 1.124 91 D HN 0.400 nan 8.370 nan 0.000 0.467 92 V N -0.204 119.692 119.914 -0.029 0.000 2.815 92 V HA 0.520 4.639 4.120 -0.002 0.000 0.314 92 V C 0.495 176.595 176.094 0.010 0.000 1.064 92 V CA -0.686 61.587 62.300 -0.045 0.000 0.952 92 V CB 1.579 33.362 31.823 -0.065 0.000 1.020 92 V HN 0.688 nan 8.190 nan 0.000 0.439 93 C N 2.392 121.692 119.300 0.000 0.000 2.553 93 C HA 0.494 4.953 4.460 -0.002 0.000 0.447 93 C C 1.216 176.224 174.990 0.031 0.000 1.351 93 C CA 1.260 60.297 59.018 0.031 0.000 2.354 93 C CB -0.212 27.537 27.740 0.016 0.000 2.905 93 C HN 1.243 nan 8.230 nan 0.000 0.554 94 T N -2.829 111.732 114.554 0.012 0.000 2.724 94 T HA 0.533 4.882 4.350 -0.002 0.000 0.274 94 T C 1.255 175.955 174.700 -0.000 0.000 0.984 94 T CA 0.461 62.568 62.100 0.012 0.000 1.024 94 T CB 0.652 69.528 68.868 0.013 0.000 1.320 94 T HN 0.262 nan 8.240 nan 0.000 0.555 95 G N -0.213 108.587 108.800 -0.000 0.000 2.442 95 G HA2 0.050 4.009 3.960 -0.002 0.000 0.219 95 G HA3 0.050 4.009 3.960 -0.002 0.000 0.219 95 G C 1.463 176.358 174.900 -0.008 0.000 1.141 95 G CA 0.819 45.917 45.100 -0.004 0.000 0.763 95 G HN 1.048 nan 8.290 nan 0.000 0.554 96 G N 0.393 109.186 108.800 -0.011 0.000 2.402 96 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.216 96 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.216 96 G C 1.601 176.484 174.900 -0.027 0.000 1.162 96 G CA 0.986 46.075 45.100 -0.019 0.000 0.777 96 G HN 0.515 nan 8.290 nan 0.000 0.539 97 E N -0.373 119.810 120.200 -0.029 0.000 2.072 97 E HA -0.089 4.260 4.350 -0.002 0.000 0.191 97 E C 2.391 178.965 176.600 -0.043 0.000 0.985 97 E CA 0.670 57.043 56.400 -0.045 0.000 0.801 97 E CB -0.178 29.491 29.700 -0.051 0.000 0.750 97 E HN 0.310 nan 8.360 nan 0.000 0.452 98 L N 1.343 122.549 121.223 -0.028 0.000 1.971 98 L HA -0.207 4.132 4.340 -0.002 0.000 0.215 98 L C 2.278 179.149 176.870 0.002 0.000 1.072 98 L CA 2.329 57.159 54.840 -0.016 0.000 0.758 98 L CB -0.893 41.162 42.059 -0.007 0.000 0.889 98 L HN 0.056 nan 8.230 nan 0.000 0.433 99 A N -1.259 121.563 122.820 0.003 0.000 1.948 99 A HA -0.191 4.128 4.320 -0.002 0.000 0.220 99 A C 2.261 179.868 177.584 0.037 0.000 1.177 99 A CA 2.248 54.296 52.037 0.019 0.000 0.636 99 A CB -1.176 17.826 19.000 0.002 0.000 0.815 99 A HN 0.380 nan 8.150 nan 0.000 0.449 100 V N -0.450 119.465 119.914 0.003 0.000 2.379 100 V HA -0.183 3.936 4.120 -0.002 0.000 0.245 100 V C 3.023 179.148 176.094 0.053 0.000 1.044 100 V CA 1.723 64.026 62.300 0.006 0.000 1.036 100 V CB -1.235 30.554 31.823 -0.058 0.000 0.664 100 V HN 0.626 nan 8.190 nan 0.000 0.453 101 A N 0.040 122.872 122.820 0.020 0.000 1.883 101 A HA -0.173 4.146 4.320 -0.002 0.000 0.217 101 A C 2.100 179.755 177.584 0.119 0.000 1.186 101 A CA 1.805 53.869 52.037 0.044 0.000 0.624 101 A CB -0.584 18.395 19.000 -0.036 0.000 0.822 101 A HN 0.397 nan 8.150 nan 0.000 0.444 102 L N -0.582 120.699 121.223 0.096 0.000 2.093 102 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 102 L C 2.399 179.316 176.870 0.078 0.000 1.085 102 L CA 2.006 56.899 54.840 0.088 0.000 0.755 102 L CB -1.412 40.686 42.059 0.065 0.000 0.904 102 L HN 0.651 nan 8.230 nan 0.000 0.435 103 H N -0.098 118.979 119.070 0.012 0.000 2.387 103 H HA -0.117 4.438 4.556 -0.002 0.000 0.299 103 H C 1.585 176.915 175.328 0.003 0.000 1.099 103 H CA 1.518 57.566 56.048 0.000 0.000 1.315 103 H CB 0.500 30.254 29.762 -0.014 0.000 1.380 103 H HN 0.297 nan 8.280 nan 0.000 0.513 104 A N -0.400 122.439 122.820 0.031 0.000 2.278 104 A HA 0.197 4.516 4.320 -0.002 0.000 0.212 104 A C 1.252 178.835 177.584 -0.002 0.000 1.213 104 A CA 0.722 52.759 52.037 0.000 0.000 0.840 104 A CB 0.009 19.048 19.000 0.066 0.000 0.866 104 A HN 0.391 nan 8.150 nan 0.000 0.489 105 S N -2.426 113.270 115.700 -0.005 0.000 3.593 105 S HA -0.186 4.282 4.470 -0.002 0.000 0.301 105 S C -0.047 174.565 174.600 0.020 0.000 1.209 105 S CA 0.554 58.748 58.200 -0.010 0.000 0.878 105 S CB -2.230 60.938 63.200 -0.053 0.000 1.000 105 S HN 0.740 nan 8.310 nan 0.000 0.578 106 F N 2.998 122.937 119.950 -0.019 0.000 2.543 106 F HA 0.349 4.875 4.527 -0.002 0.000 0.375 106 F C -1.917 173.879 175.800 -0.006 0.000 1.075 106 F CA -1.712 56.285 58.000 -0.006 0.000 1.225 106 F CB 0.525 39.527 39.000 0.002 0.000 1.099 106 F HN -0.063 nan 8.300 nan 0.000 0.561 107 P HA 0.026 nan 4.420 nan 0.000 0.260 107 P C -2.210 175.153 177.300 0.105 0.000 1.207 107 P CA -0.821 62.189 63.100 -0.149 0.000 0.780 107 P CB 0.361 31.893 31.700 -0.280 0.000 0.789 108 P HA -0.213 nan 4.420 nan 0.000 0.217 108 P C 1.422 178.783 177.300 0.101 0.000 1.148 108 P CA 1.368 64.538 63.100 0.117 0.000 0.828 108 P CB -0.159 31.574 31.700 0.056 0.000 0.783 109 E N 0.499 120.739 120.200 0.067 0.000 2.268 109 E HA -0.175 4.174 4.350 -0.002 0.000 0.195 109 E C 1.310 177.977 176.600 0.113 0.000 0.995 109 E CA 1.114 57.548 56.400 0.057 0.000 0.836 109 E CB -0.561 29.154 29.700 0.025 0.000 0.763 109 E HN 0.275 nan 8.360 nan 0.000 0.491 110 R N 0.377 120.978 120.500 0.168 0.000 2.427 110 R HA 0.398 4.737 4.340 -0.002 0.000 0.262 110 R C 0.196 176.651 176.300 0.258 0.000 0.943 110 R CA -0.157 56.081 56.100 0.230 0.000 1.081 110 R CB 0.382 30.843 30.300 0.269 0.000 1.166 110 R HN 0.141 nan 8.270 nan 0.000 0.534 111 I N 0.355 121.034 120.570 0.183 0.000 2.392 111 I HA 0.216 4.385 4.170 -0.002 0.000 0.295 111 I C -0.017 176.118 176.117 0.029 0.000 0.985 111 I CA -0.349 60.979 61.300 0.048 0.000 1.221 111 I CB 2.143 40.173 38.000 0.050 0.000 1.366 111 I HN -0.107 nan 8.210 nan 0.000 0.467 112 T N 6.514 121.052 114.554 -0.026 0.000 2.824 112 T HA 0.426 4.775 4.350 -0.002 0.000 0.282 112 T C -0.665 173.994 174.700 -0.070 0.000 0.993 112 T CA -0.418 61.671 62.100 -0.019 0.000 0.967 112 T CB 1.606 70.468 68.868 -0.010 0.000 0.960 112 T HN 0.225 nan 8.240 nan 0.000 0.441 113 L N 4.770 125.928 121.223 -0.108 0.000 2.275 113 L HA 0.454 4.793 4.340 -0.002 0.000 0.288 113 L C -0.398 176.337 176.870 -0.226 0.000 1.046 113 L CA -0.061 54.716 54.840 -0.105 0.000 0.805 113 L CB 0.211 42.237 42.059 -0.055 0.000 1.193 113 L HN 0.628 nan 8.230 nan 0.000 0.426 114 H N 3.319 122.347 119.070 -0.072 0.000 2.651 114 H HA 0.877 5.432 4.556 -0.002 0.000 0.353 114 H C -0.125 175.183 175.328 -0.033 0.000 1.178 114 H CA -0.171 55.818 56.048 -0.099 0.000 1.224 114 H CB 2.105 31.771 29.762 -0.160 0.000 1.702 114 H HN 0.835 nan 8.280 nan 0.000 0.550 115 G N 0.426 109.320 108.800 0.157 0.000 2.307 115 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.348 115 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.348 115 G C 0.127 175.164 174.900 0.227 0.000 1.603 115 G CA -0.283 44.942 45.100 0.208 0.000 0.961 115 G HN 0.734 nan 8.290 nan 0.000 0.686 116 N N -0.448 118.415 118.700 0.273 0.000 2.446 116 N HA 0.001 4.740 4.740 -0.002 0.000 0.179 116 N C 0.784 176.312 175.510 0.029 0.000 1.054 116 N CA 0.950 54.071 53.050 0.118 0.000 0.905 116 N CB 0.370 38.762 38.487 -0.158 0.000 0.973 116 N HN 0.471 nan 8.380 nan 0.000 0.448 117 N N 0.043 118.762 118.700 0.033 0.000 2.646 117 N HA 0.085 4.824 4.740 -0.002 0.000 0.303 117 N C -1.251 174.268 175.510 0.016 0.000 1.921 117 N CA -0.397 52.658 53.050 0.009 0.000 0.872 117 N CB 0.269 38.749 38.487 -0.012 0.000 1.327 117 N HN 0.106 nan 8.380 nan 0.000 0.492 118 K N 1.297 121.710 120.400 0.022 0.000 2.416 118 K HA 0.045 4.364 4.320 -0.002 0.000 0.283 118 K C 0.623 177.227 176.600 0.006 0.000 1.037 118 K CA 0.010 56.306 56.287 0.015 0.000 0.995 118 K CB 0.822 33.329 32.500 0.012 0.000 0.938 118 K HN 0.293 nan 8.250 nan 0.000 0.475 119 S N 1.213 116.915 115.700 0.003 0.000 2.603 119 S HA 0.060 4.529 4.470 -0.002 0.000 0.268 119 S C 1.513 176.112 174.600 -0.002 0.000 1.317 119 S CA -0.978 57.222 58.200 -0.000 0.000 1.012 119 S CB 1.301 64.501 63.200 -0.001 0.000 0.926 119 S HN 0.337 nan 8.310 nan 0.000 0.539 120 V N 1.919 121.832 119.914 -0.003 0.000 2.278 120 V HA -0.213 3.906 4.120 -0.002 0.000 0.251 120 V C 3.001 179.092 176.094 -0.006 0.000 1.062 120 V CA 2.605 64.902 62.300 -0.004 0.000 1.038 120 V CB -1.366 30.454 31.823 -0.005 0.000 0.646 120 V HN 1.093 nan 8.190 nan 0.000 0.447 121 S N -0.735 114.962 115.700 -0.005 0.000 2.382 121 S HA -0.233 4.236 4.470 -0.002 0.000 0.228 121 S C 1.877 176.475 174.600 -0.004 0.000 1.027 121 S CA 1.911 60.108 58.200 -0.005 0.000 0.991 121 S CB -0.285 62.913 63.200 -0.004 0.000 0.823 121 S HN 0.751 nan 8.310 nan 0.000 0.469 122 E N 0.695 120.893 120.200 -0.003 0.000 2.072 122 E HA -0.024 4.324 4.350 -0.002 0.000 0.190 122 E C 2.178 178.775 176.600 -0.006 0.000 0.982 122 E CA 1.259 57.657 56.400 -0.003 0.000 0.803 122 E CB -0.284 29.416 29.700 -0.001 0.000 0.755 122 E HN 0.490 nan 8.360 nan 0.000 0.453 123 L N 0.784 122.003 121.223 -0.007 0.000 2.012 123 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 123 L C 2.619 179.482 176.870 -0.011 0.000 1.073 123 L CA 1.406 56.240 54.840 -0.010 0.000 0.748 123 L CB -0.732 41.322 42.059 -0.008 0.000 0.891 123 L HN 0.185 nan 8.230 nan 0.000 0.431 124 T N -0.074 114.474 114.554 -0.011 0.000 2.684 124 T HA -0.228 4.121 4.350 -0.002 0.000 0.267 124 T C 1.974 176.668 174.700 -0.011 0.000 1.036 124 T CA 1.484 63.576 62.100 -0.013 0.000 1.148 124 T CB -0.335 68.526 68.868 -0.012 0.000 0.863 124 T HN 0.467 nan 8.240 nan 0.000 0.436 125 A N 1.317 124.133 122.820 -0.007 0.000 1.933 125 A HA 0.159 4.478 4.320 -0.002 0.000 0.218 125 A C 2.629 180.211 177.584 -0.004 0.000 1.175 125 A CA 1.828 53.863 52.037 -0.004 0.000 0.628 125 A CB -1.039 17.961 19.000 -0.001 0.000 0.814 125 A HN 0.519 nan 8.150 nan 0.000 0.444 126 A N -0.201 122.615 122.820 -0.007 0.000 1.877 126 A HA -0.009 4.310 4.320 -0.002 0.000 0.216 126 A C 2.392 179.970 177.584 -0.011 0.000 1.186 126 A CA 2.116 54.148 52.037 -0.008 0.000 0.620 126 A CB -1.172 17.820 19.000 -0.013 0.000 0.822 126 A HN 1.217 nan 8.150 nan 0.000 0.443 127 V N -0.880 119.025 119.914 -0.015 0.000 2.548 127 V HA -0.146 3.973 4.120 -0.002 0.000 0.249 127 V C 2.108 178.192 176.094 -0.016 0.000 1.055 127 V CA 2.563 64.851 62.300 -0.019 0.000 1.065 127 V CB -0.693 31.115 31.823 -0.024 0.000 0.681 127 V HN 0.546 nan 8.190 nan 0.000 0.462 128 K N 0.584 120.976 120.400 -0.013 0.000 2.063 128 K HA -0.093 4.226 4.320 -0.002 0.000 0.208 128 K C 2.167 178.763 176.600 -0.006 0.000 1.048 128 K CA 1.701 57.981 56.287 -0.011 0.000 0.928 128 K CB -0.521 31.974 32.500 -0.008 0.000 0.713 128 K HN 0.620 nan 8.250 nan 0.000 0.442 129 A N 0.164 122.983 122.820 -0.001 0.000 2.121 129 A HA 0.051 4.370 4.320 -0.002 0.000 0.218 129 A C 1.329 178.916 177.584 0.004 0.000 1.154 129 A CA 1.275 53.315 52.037 0.005 0.000 0.679 129 A CB -0.577 18.432 19.000 0.014 0.000 0.795 129 A HN 0.579 nan 8.150 nan 0.000 0.458 130 G N -1.210 107.588 108.800 -0.005 0.000 2.182 130 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.248 130 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.248 130 G C 0.127 175.022 174.900 -0.007 0.000 1.042 130 G CA 0.041 45.135 45.100 -0.010 0.000 0.775 130 G HN 0.836 nan 8.290 nan 0.000 0.501 131 V N 0.254 120.165 119.914 -0.004 0.000 2.644 131 V HA 0.301 4.420 4.120 -0.002 0.000 0.305 131 V C 2.079 178.154 176.094 -0.032 0.000 1.053 131 V CA 1.505 63.806 62.300 0.002 0.000 1.186 131 V CB 0.880 32.704 31.823 0.001 0.000 0.895 131 V HN 0.667 nan 8.190 nan 0.000 0.490 132 G N 3.892 112.681 108.800 -0.018 0.000 2.394 132 G HA2 -0.066 3.892 3.960 -0.002 0.000 0.215 132 G HA3 -0.066 3.892 3.960 -0.002 0.000 0.215 132 G C 0.351 175.017 174.900 -0.390 0.000 1.165 132 G CA 0.409 45.425 45.100 -0.140 0.000 0.784 132 G HN 0.755 nan 8.290 nan 0.000 0.535 133 H N -1.482 117.576 119.070 -0.020 0.000 2.717 133 H HA 0.608 5.163 4.556 -0.002 0.000 0.366 133 H C -0.836 174.445 175.328 -0.078 0.000 1.132 133 H CA -0.740 55.285 56.048 -0.037 0.000 1.180 133 H CB 2.245 31.993 29.762 -0.023 0.000 1.678 133 H HN -0.011 nan 8.280 nan 0.000 0.537 134 I N 2.661 123.242 120.570 0.019 0.000 2.418 134 I HA 0.223 4.392 4.170 -0.002 0.000 0.287 134 I C -0.529 175.533 176.117 -0.091 0.000 1.008 134 I CA -1.051 60.215 61.300 -0.057 0.000 1.104 134 I CB 1.932 39.906 38.000 -0.044 0.000 1.264 134 I HN 0.261 nan 8.210 nan 0.000 0.438 135 V N 6.998 126.780 119.914 -0.220 0.000 2.356 135 V HA 0.071 4.189 4.120 -0.002 0.000 0.258 135 V C 0.502 176.518 176.094 -0.131 0.000 1.065 135 V CA -0.597 61.561 62.300 -0.237 0.000 0.935 135 V CB 0.903 32.408 31.823 -0.529 0.000 1.061 135 V HN 0.551 nan 8.190 nan 0.000 0.484 136 V N 1.833 121.710 119.914 -0.062 0.000 2.614 136 V HA 0.379 4.498 4.120 -0.002 0.000 0.291 136 V C 0.488 176.589 176.094 0.011 0.000 1.049 136 V CA 0.145 62.431 62.300 -0.022 0.000 1.038 136 V CB 1.403 33.215 31.823 -0.019 0.000 0.980 136 V HN 0.781 nan 8.190 nan 0.000 0.481 137 D N 1.988 122.410 120.400 0.038 0.000 2.474 137 D HA 0.243 4.882 4.640 -0.002 0.000 0.213 137 D C 0.428 176.765 176.300 0.061 0.000 1.120 137 D CA 0.865 54.914 54.000 0.081 0.000 0.836 137 D CB 0.574 41.456 40.800 0.137 0.000 1.019 137 D HN 1.057 nan 8.370 nan 0.000 0.507 138 S N -1.516 114.204 115.700 0.033 0.000 2.588 138 S HA 0.237 4.705 4.470 -0.002 0.000 0.269 138 S C 0.673 175.280 174.600 0.011 0.000 1.157 138 S CA -0.756 57.458 58.200 0.022 0.000 0.824 138 S CB 1.107 64.317 63.200 0.017 0.000 1.126 138 S HN -0.201 nan 8.310 nan 0.000 0.464 139 M N 1.489 121.095 119.600 0.009 0.000 2.117 139 M HA -0.053 4.425 4.480 -0.002 0.000 0.262 139 M C 2.085 178.388 176.300 0.005 0.000 1.065 139 M CA 2.056 57.359 55.300 0.005 0.000 1.114 139 M CB -2.141 30.463 32.600 0.007 0.000 1.361 139 M HN 0.933 nan 8.290 nan 0.000 0.408 140 T N -0.103 114.454 114.554 0.006 0.000 2.684 140 T HA -0.203 4.146 4.350 -0.002 0.000 0.267 140 T C 1.765 176.468 174.700 0.005 0.000 1.036 140 T CA 1.730 63.833 62.100 0.005 0.000 1.148 140 T CB -0.282 68.588 68.868 0.003 0.000 0.863 140 T HN 0.490 nan 8.240 nan 0.000 0.436 141 E N 0.639 120.843 120.200 0.006 0.000 2.058 141 E HA -0.138 4.211 4.350 -0.002 0.000 0.194 141 E C 2.185 178.787 176.600 0.003 0.000 0.997 141 E CA 1.064 57.467 56.400 0.005 0.000 0.801 141 E CB -0.277 29.427 29.700 0.007 0.000 0.746 141 E HN 0.500 nan 8.360 nan 0.000 0.450 142 I N 1.047 121.618 120.570 0.002 0.000 2.151 142 I HA -0.312 3.857 4.170 -0.002 0.000 0.243 142 I C 2.314 178.437 176.117 0.010 0.000 1.080 142 I CA 1.680 62.981 61.300 0.001 0.000 1.339 142 I CB -0.321 37.675 38.000 -0.007 0.000 1.039 142 I HN 0.180 nan 8.210 nan 0.000 0.409 143 E N 0.450 120.657 120.200 0.011 0.000 2.077 143 E HA -0.230 4.119 4.350 -0.002 0.000 0.193 143 E C 2.335 178.946 176.600 0.018 0.000 0.989 143 E CA 1.081 57.492 56.400 0.018 0.000 0.800 143 E CB -0.130 29.578 29.700 0.014 0.000 0.746 143 E HN 0.421 nan 8.360 nan 0.000 0.452 144 R N 0.580 121.086 120.500 0.011 0.000 2.073 144 R HA -0.092 4.247 4.340 -0.002 0.000 0.234 144 R C 2.509 178.813 176.300 0.007 0.000 1.134 144 R CA 1.043 57.147 56.100 0.007 0.000 0.952 144 R CB -0.395 29.907 30.300 0.002 0.000 0.850 144 R HN 0.174 nan 8.270 nan 0.000 0.433 145 L N 0.674 121.902 121.223 0.008 0.000 2.027 145 L HA -0.212 4.127 4.340 -0.002 0.000 0.206 145 L C 2.075 178.958 176.870 0.021 0.000 1.074 145 L CA 1.492 56.336 54.840 0.007 0.000 0.745 145 L CB -0.422 41.639 42.059 0.004 0.000 0.898 145 L HN 0.253 nan 8.230 nan 0.000 0.433 146 D N 0.043 120.469 120.400 0.043 0.000 2.154 146 D HA -0.263 4.376 4.640 -0.002 0.000 0.190 146 D C 2.031 178.381 176.300 0.084 0.000 1.003 146 D CA 1.883 55.942 54.000 0.098 0.000 0.849 146 D CB 0.117 40.973 40.800 0.094 0.000 0.942 146 D HN 0.396 nan 8.370 nan 0.000 0.446 147 A N -0.115 122.728 122.820 0.039 0.000 1.898 147 A HA -0.094 4.225 4.320 -0.002 0.000 0.216 147 A C 2.643 180.196 177.584 -0.051 0.000 1.181 147 A CA 1.247 53.283 52.037 -0.002 0.000 0.620 147 A CB -0.686 18.316 19.000 0.004 0.000 0.819 147 A HN 0.373 nan 8.150 nan 0.000 0.442 148 I N -0.343 120.207 120.570 -0.034 0.000 2.202 148 I HA -0.246 3.923 4.170 -0.002 0.000 0.242 148 I C 2.969 179.044 176.117 -0.071 0.000 1.091 148 I CA 1.037 62.311 61.300 -0.044 0.000 1.368 148 I CB -0.266 37.719 38.000 -0.025 0.000 1.058 148 I HN 0.342 nan 8.210 nan 0.000 0.410 149 A N 0.703 123.486 122.820 -0.063 0.000 1.902 149 A HA -0.146 4.173 4.320 -0.002 0.000 0.217 149 A C 2.412 179.878 177.584 -0.197 0.000 1.181 149 A CA 1.948 53.942 52.037 -0.071 0.000 0.623 149 A CB -1.453 17.551 19.000 0.006 0.000 0.818 149 A HN 0.475 nan 8.150 nan 0.000 0.443 150 G N -0.585 107.957 108.800 -0.431 0.000 2.408 150 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.217 150 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.217 150 G C 1.409 176.086 174.900 -0.373 0.000 1.150 150 G CA 0.918 45.501 45.100 -0.863 0.000 0.776 150 G HN 0.659 nan 8.290 nan 0.000 0.542 151 E N 0.474 120.543 120.200 -0.218 0.000 2.110 151 E HA -0.012 4.337 4.350 -0.002 0.000 0.193 151 E C 2.774 179.316 176.600 -0.096 0.000 0.988 151 E CA 0.722 57.048 56.400 -0.123 0.000 0.804 151 E CB -0.120 29.532 29.700 -0.081 0.000 0.745 151 E HN 0.426 nan 8.360 nan 0.000 0.458 152 A N 0.357 123.119 122.820 -0.096 0.000 2.119 152 A HA 0.143 4.462 4.320 -0.002 0.000 0.216 152 A C 1.830 179.378 177.584 -0.060 0.000 1.152 152 A CA 0.933 52.932 52.037 -0.064 0.000 0.708 152 A CB -0.398 18.571 19.000 -0.052 0.000 0.805 152 A HN 0.342 nan 8.150 nan 0.000 0.460 153 G N -0.833 107.916 108.800 -0.084 0.000 2.160 153 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.251 153 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.251 153 G C 0.102 174.987 174.900 -0.025 0.000 1.008 153 G CA 0.691 45.759 45.100 -0.054 0.000 0.724 153 G HN 1.465 nan 8.290 nan 0.000 0.514 154 I N -3.292 117.260 120.570 -0.030 0.000 3.067 154 I HA 0.879 5.048 4.170 -0.002 0.000 0.312 154 I C -0.006 176.128 176.117 0.028 0.000 1.073 154 I CA -1.850 59.448 61.300 -0.003 0.000 1.016 154 I CB 2.135 40.125 38.000 -0.015 0.000 1.227 154 I HN -0.032 nan 8.210 nan 0.000 0.456 155 V N 2.747 122.678 119.914 0.029 0.000 2.328 155 V HA 0.418 4.537 4.120 -0.002 0.000 0.278 155 V C -0.252 175.847 176.094 0.008 0.000 1.021 155 V CA -0.372 61.953 62.300 0.041 0.000 0.838 155 V CB 0.755 32.597 31.823 0.031 0.000 0.999 155 V HN 0.818 nan 8.190 nan 0.000 0.447 156 Q N 3.564 123.371 119.800 0.012 0.000 2.296 156 Q HA 0.261 4.600 4.340 -0.002 0.000 0.257 156 Q C -0.551 175.432 176.000 -0.028 0.000 0.942 156 Q CA -0.159 55.633 55.803 -0.019 0.000 0.939 156 Q CB 0.858 29.589 28.738 -0.013 0.000 1.198 156 Q HN 0.677 nan 8.270 nan 0.000 0.429 157 D N 3.055 123.408 120.400 -0.078 0.000 2.383 157 D HA 0.224 4.863 4.640 -0.002 0.000 0.252 157 D C -0.436 175.846 176.300 -0.031 0.000 1.166 157 D CA 0.189 54.141 54.000 -0.080 0.000 0.879 157 D CB 0.674 41.346 40.800 -0.213 0.000 1.164 157 D HN 0.408 nan 8.370 nan 0.000 0.462 158 V N -0.377 119.556 119.914 0.033 0.000 3.040 158 V HA 0.758 4.877 4.120 -0.002 0.000 0.312 158 V C -0.982 175.151 176.094 0.065 0.000 1.115 158 V CA -0.989 61.335 62.300 0.040 0.000 0.998 158 V CB 1.805 33.628 31.823 0.001 0.000 1.042 158 V HN 0.199 nan 8.190 nan 0.000 0.433 159 L N 2.073 123.318 121.223 0.036 0.000 2.341 159 L HA 0.774 5.113 4.340 -0.002 0.000 0.267 159 L C -0.235 176.634 176.870 -0.001 0.000 1.009 159 L CA -0.762 54.093 54.840 0.026 0.000 0.819 159 L CB 1.962 44.045 42.059 0.041 0.000 1.323 159 L HN 0.581 nan 8.230 nan 0.000 0.425 160 V N 1.473 121.393 119.914 0.010 0.000 2.394 160 V HA 0.463 4.582 4.120 -0.002 0.000 0.282 160 V C 0.202 176.339 176.094 0.072 0.000 1.031 160 V CA -0.671 61.636 62.300 0.012 0.000 0.881 160 V CB 1.298 33.108 31.823 -0.022 0.000 0.982 160 V HN 0.685 nan 8.190 nan 0.000 0.451 161 R N 4.916 125.471 120.500 0.091 0.000 2.340 161 R HA 0.576 4.915 4.340 -0.002 0.000 0.300 161 R C -1.108 175.282 176.300 0.149 0.000 1.069 161 R CA -0.296 55.920 56.100 0.192 0.000 0.984 161 R CB 0.490 30.901 30.300 0.185 0.000 1.003 161 R HN 0.695 nan 8.270 nan 0.000 0.459 162 L N 2.999 124.308 121.223 0.144 0.000 2.334 162 L HA 0.443 4.782 4.340 -0.002 0.000 0.273 162 L C -0.195 176.727 176.870 0.086 0.000 1.013 162 L CA -0.928 53.963 54.840 0.085 0.000 0.816 162 L CB 2.353 44.439 42.059 0.045 0.000 1.278 162 L HN 0.657 nan 8.230 nan 0.000 0.431 163 T N 1.573 116.173 114.554 0.076 0.000 2.758 163 T HA 0.311 4.660 4.350 -0.002 0.000 0.285 163 T C 0.569 175.291 174.700 0.036 0.000 0.981 163 T CA -0.391 61.750 62.100 0.068 0.000 0.965 163 T CB 1.331 70.251 68.868 0.086 0.000 0.927 163 T HN 0.510 nan 8.240 nan 0.000 0.448 164 V N 0.121 120.043 119.914 0.012 0.000 3.253 164 V HA 0.586 4.705 4.120 -0.002 0.000 0.320 164 V C 1.159 177.247 176.094 -0.010 0.000 1.442 164 V CA 0.041 62.339 62.300 -0.003 0.000 1.097 164 V CB -0.322 31.491 31.823 -0.016 0.000 1.008 164 V HN 1.085 nan 8.190 nan 0.000 0.463 165 G N 0.582 109.380 108.800 -0.003 0.000 2.225 165 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.264 165 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.264 165 G C -0.173 174.729 174.900 0.002 0.000 1.060 165 G CA 0.302 45.403 45.100 0.000 0.000 0.833 165 G HN 1.039 nan 8.290 nan 0.000 0.498 166 V N -0.322 119.573 119.914 -0.032 0.000 2.531 166 V HA 0.680 4.799 4.120 -0.002 0.000 0.301 166 V C -0.022 176.013 176.094 -0.099 0.000 1.034 166 V CA -0.681 61.584 62.300 -0.060 0.000 0.865 166 V CB 2.064 33.772 31.823 -0.191 0.000 0.995 166 V HN 0.421 nan 8.190 nan 0.000 0.424 167 E N 3.239 123.406 120.200 -0.055 0.000 2.255 167 E HA 0.720 5.069 4.350 -0.002 0.000 0.256 167 E C -0.733 175.751 176.600 -0.194 0.000 0.887 167 E CA -0.462 55.856 56.400 -0.137 0.000 0.782 167 E CB 1.626 31.309 29.700 -0.028 0.000 1.214 167 E HN 0.876 nan 8.360 nan 0.000 0.417 168 A N 4.281 126.835 122.820 -0.445 0.000 2.324 168 A HA 0.676 4.995 4.320 -0.002 0.000 0.330 168 A C -1.278 175.799 177.584 -0.846 0.000 1.165 168 A CA -0.436 51.336 52.037 -0.443 0.000 0.813 168 A CB 0.657 19.385 19.000 -0.454 0.000 1.197 168 A HN 0.795 nan 8.150 nan 0.000 0.484 169 H N 0.062 119.034 119.070 -0.163 0.000 2.930 169 H HA 0.505 5.060 4.556 -0.002 0.000 0.371 169 H C 1.069 176.219 175.328 -0.297 0.000 1.169 169 H CA 0.317 56.222 56.048 -0.238 0.000 1.157 169 H CB 1.755 31.403 29.762 -0.191 0.000 1.789 169 H HN 1.186 nan 8.280 nan 0.000 0.547 170 T N -0.851 113.436 114.554 -0.444 0.000 8.188 170 T HA -0.411 3.938 4.350 -0.002 0.000 0.253 170 T C 0.781 175.216 174.700 -0.442 0.000 1.618 170 T CA 1.886 63.508 62.100 -0.797 0.000 1.500 170 T CB -0.940 67.622 68.868 -0.511 0.000 1.763 170 T HN 0.876 nan 8.240 nan 0.000 0.450 171 H N 3.790 122.866 119.070 0.010 0.000 2.487 171 H HA 0.468 5.023 4.556 -0.002 0.000 0.290 171 H C 0.937 176.299 175.328 0.057 0.000 1.081 171 H CA 0.470 56.574 56.048 0.092 0.000 1.116 171 H CB -0.025 29.816 29.762 0.132 0.000 1.560 171 H HN 0.866 nan 8.280 nan 0.000 0.548 172 E N 0.542 120.800 120.200 0.096 0.000 2.433 172 E HA 0.484 4.833 4.350 -0.002 0.000 0.273 172 E C -1.128 175.527 176.600 0.091 0.000 0.950 172 E CA -1.179 55.253 56.400 0.054 0.000 0.796 172 E CB 2.568 32.264 29.700 -0.006 0.000 1.330 172 E HN 0.018 nan 8.360 nan 0.000 0.455 173 F N -0.803 119.106 119.950 -0.069 0.000 2.643 173 F HA 0.702 5.228 4.527 -0.002 0.000 0.314 173 F C -1.666 174.094 175.800 -0.068 0.000 1.096 173 F CA -1.327 56.609 58.000 -0.107 0.000 0.953 173 F CB 1.237 40.142 39.000 -0.160 0.000 1.345 173 F HN 0.358 nan 8.300 nan 0.000 0.468 174 I N 2.352 122.970 120.570 0.081 0.000 2.406 174 I HA 0.382 4.551 4.170 -0.002 0.000 0.290 174 I C -0.492 175.729 176.117 0.174 0.000 0.999 174 I CA -0.825 60.491 61.300 0.025 0.000 1.124 174 I CB 1.854 39.861 38.000 0.013 0.000 1.289 174 I HN 0.746 nan 8.210 nan 0.000 0.441 175 S N 4.734 120.515 115.700 0.136 0.000 2.442 175 S HA 0.627 5.096 4.470 -0.002 0.000 0.297 175 S C -0.212 174.416 174.600 0.047 0.000 1.131 175 S CA -0.410 57.871 58.200 0.135 0.000 1.092 175 S CB 0.764 64.073 63.200 0.182 0.000 0.998 175 S HN 0.683 nan 8.310 nan 0.000 0.478 176 T N 2.237 116.807 114.554 0.027 0.000 2.885 176 T HA 0.691 5.040 4.350 -0.002 0.000 0.285 176 T C 1.246 175.912 174.700 -0.057 0.000 1.019 176 T CA -0.424 61.675 62.100 -0.002 0.000 1.010 176 T CB 1.486 70.366 68.868 0.020 0.000 1.022 176 T HN 0.623 nan 8.240 nan 0.000 0.466 177 A N 0.734 123.485 122.820 -0.115 0.000 1.972 177 A HA 0.006 4.325 4.320 -0.002 0.000 0.219 177 A C 0.789 177.989 177.584 -0.640 0.000 1.169 177 A CA 0.936 52.779 52.037 -0.323 0.000 0.635 177 A CB -0.600 18.210 19.000 -0.315 0.000 0.810 177 A HN 0.890 nan 8.150 nan 0.000 0.446 178 H N -0.795 118.289 119.070 0.023 0.000 3.018 178 H HA 0.311 4.866 4.556 -0.002 0.000 0.334 178 H C -1.260 174.083 175.328 0.025 0.000 0.983 178 H CA -0.657 55.404 56.048 0.023 0.000 1.363 178 H CB 0.741 30.514 29.762 0.018 0.000 1.668 178 H HN 0.444 nan 8.280 nan 0.000 0.513 179 E N 2.042 122.308 120.200 0.110 0.000 2.290 179 E HA -0.003 4.346 4.350 -0.002 0.000 0.277 179 E C -0.470 176.189 176.600 0.099 0.000 1.035 179 E CA -0.288 56.166 56.400 0.090 0.000 0.873 179 E CB 0.815 30.559 29.700 0.073 0.000 1.029 179 E HN 0.420 nan 8.360 nan 0.000 0.419 180 D N 4.714 125.162 120.400 0.079 0.000 2.540 180 D HA 0.100 4.739 4.640 -0.002 0.000 0.251 180 D C -1.105 175.220 176.300 0.042 0.000 1.159 180 D CA -0.300 53.734 54.000 0.056 0.000 0.974 180 D CB 0.038 40.865 40.800 0.045 0.000 0.996 180 D HN 0.361 nan 8.370 nan 0.000 0.512 181 Q N 0.244 120.070 119.800 0.044 0.000 2.707 181 Q HA 0.314 4.653 4.340 -0.002 0.000 0.307 181 Q C 0.617 176.610 176.000 -0.011 0.000 0.934 181 Q CA -0.987 54.832 55.803 0.027 0.000 0.753 181 Q CB 0.535 29.321 28.738 0.079 0.000 1.478 181 Q HN -0.042 nan 8.270 nan 0.000 0.458 182 K N -0.560 119.770 120.400 -0.116 0.000 2.228 182 K HA 0.165 4.484 4.320 -0.002 0.000 0.202 182 K C -0.457 176.013 176.600 -0.217 0.000 1.051 182 K CA 0.540 56.677 56.287 -0.250 0.000 0.960 182 K CB -0.032 32.201 32.500 -0.445 0.000 0.743 182 K HN 0.300 nan 8.250 nan 0.000 0.458 183 F N 1.718 121.693 119.950 0.042 0.000 2.377 183 F HA 0.465 4.991 4.527 -0.001 0.000 0.328 183 F C 1.222 177.057 175.800 0.058 0.000 1.094 183 F CA 0.506 58.536 58.000 0.051 0.000 1.093 183 F CB 1.236 40.277 39.000 0.069 0.000 1.214 183 F HN 0.379 nan 8.300 nan 0.000 0.518 184 G N 1.172 110.145 108.800 0.288 0.000 2.855 184 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.352 184 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.352 184 G C -1.670 173.301 174.900 0.119 0.000 1.415 184 G CA -0.961 44.250 45.100 0.186 0.000 0.871 184 G HN 0.675 nan 8.290 nan 0.000 0.543 185 L N -0.143 121.134 121.223 0.091 0.000 2.362 185 L HA 0.668 5.007 4.340 -0.002 0.000 0.271 185 L C 0.777 177.683 176.870 0.060 0.000 1.002 185 L CA -0.575 54.303 54.840 0.064 0.000 0.818 185 L CB 2.243 44.328 42.059 0.045 0.000 1.298 185 L HN 0.853 nan 8.230 nan 0.000 0.420 186 S N 0.983 116.718 115.700 0.058 0.000 2.481 186 S HA 0.209 4.678 4.470 -0.002 0.000 0.276 186 S C 1.122 175.747 174.600 0.043 0.000 1.247 186 S CA -0.686 57.548 58.200 0.057 0.000 1.053 186 S CB 0.902 64.145 63.200 0.073 0.000 0.925 186 S HN 0.408 nan 8.310 nan 0.000 0.491 187 V N 6.096 126.030 119.914 0.033 0.000 2.261 187 V HA -0.163 3.956 4.120 -0.002 0.000 0.246 187 V C 2.839 178.947 176.094 0.024 0.000 1.047 187 V CA 2.331 64.645 62.300 0.023 0.000 1.015 187 V CB -1.527 30.303 31.823 0.012 0.000 0.642 187 V HN 0.997 nan 8.190 nan 0.000 0.446 188 A N 0.696 123.529 122.820 0.022 0.000 1.940 188 A HA -0.218 4.101 4.320 -0.002 0.000 0.219 188 A C 2.468 180.075 177.584 0.039 0.000 1.176 188 A CA 2.382 54.431 52.037 0.020 0.000 0.631 188 A CB -0.706 18.292 19.000 -0.003 0.000 0.814 188 A HN 0.710 nan 8.150 nan 0.000 0.446 189 S N -2.280 113.453 115.700 0.055 0.000 2.527 189 S HA 0.355 4.824 4.470 -0.002 0.000 0.222 189 S C 1.489 176.117 174.600 0.046 0.000 0.985 189 S CA 1.171 59.410 58.200 0.064 0.000 0.921 189 S CB -0.155 63.091 63.200 0.077 0.000 0.772 189 S HN 1.951 nan 8.310 nan 0.000 0.529 190 G N 0.482 109.306 108.800 0.039 0.000 2.175 190 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.244 190 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.244 190 G C 1.016 175.936 174.900 0.034 0.000 0.982 190 G CA 0.180 45.301 45.100 0.034 0.000 0.641 190 G HN 1.173 nan 8.290 nan 0.000 0.527 191 A N 0.421 123.262 122.820 0.035 0.000 1.969 191 A HA 0.453 4.772 4.320 -0.002 0.000 0.218 191 A C 2.793 180.392 177.584 0.024 0.000 1.169 191 A CA 2.567 54.622 52.037 0.031 0.000 0.635 191 A CB -0.756 18.265 19.000 0.034 0.000 0.810 191 A HN 1.781 nan 8.150 nan 0.000 0.445 192 A N -0.792 122.043 122.820 0.025 0.000 1.877 192 A HA -0.119 4.200 4.320 -0.002 0.000 0.216 192 A C 2.169 179.754 177.584 0.002 0.000 1.186 192 A CA 2.248 54.293 52.037 0.014 0.000 0.620 192 A CB -0.485 18.525 19.000 0.017 0.000 0.822 192 A HN 0.559 nan 8.150 nan 0.000 0.443 193 M N 0.342 119.955 119.600 0.023 0.000 2.175 193 M HA 0.029 4.508 4.480 -0.002 0.000 0.264 193 M C 2.099 178.428 176.300 0.048 0.000 1.063 193 M CA 1.622 56.949 55.300 0.046 0.000 1.119 193 M CB -0.732 31.909 32.600 0.068 0.000 1.377 193 M HN 0.361 nan 8.290 nan 0.000 0.415 194 A N -0.222 122.621 122.820 0.038 0.000 1.940 194 A HA 0.000 4.319 4.320 -0.002 0.000 0.219 194 A C 2.355 179.943 177.584 0.006 0.000 1.176 194 A CA 2.113 54.171 52.037 0.036 0.000 0.631 194 A CB -1.358 17.660 19.000 0.030 0.000 0.814 194 A HN 0.657 nan 8.150 nan 0.000 0.446 195 A N -0.829 121.979 122.820 -0.020 0.000 1.897 195 A HA 0.099 4.417 4.320 -0.002 0.000 0.215 195 A C 2.214 179.719 177.584 -0.131 0.000 1.181 195 A CA 1.482 53.488 52.037 -0.052 0.000 0.620 195 A CB -0.818 18.159 19.000 -0.038 0.000 0.821 195 A HN 0.340 nan 8.150 nan 0.000 0.443 196 V N 0.533 120.335 119.914 -0.186 0.000 2.295 196 V HA -0.295 3.824 4.120 -0.002 0.000 0.246 196 V C 2.663 178.431 176.094 -0.543 0.000 1.049 196 V CA 2.278 64.314 62.300 -0.441 0.000 1.024 196 V CB -0.835 30.744 31.823 -0.407 0.000 0.648 196 V HN 0.540 nan 8.190 nan 0.000 0.447 197 R N -0.254 120.136 120.500 -0.184 0.000 2.091 197 R HA -0.230 4.109 4.340 -0.002 0.000 0.238 197 R C 2.456 178.738 176.300 -0.030 0.000 1.136 197 R CA 1.755 57.860 56.100 0.008 0.000 0.959 197 R CB -0.482 29.972 30.300 0.256 0.000 0.856 197 R HN 0.309 nan 8.270 nan 0.000 0.437 198 R N 1.184 121.655 120.500 -0.048 0.000 2.073 198 R HA -0.079 4.260 4.340 -0.002 0.000 0.234 198 R C 2.071 178.347 176.300 -0.040 0.000 1.134 198 R CA 1.389 57.475 56.100 -0.022 0.000 0.952 198 R CB -0.808 29.483 30.300 -0.015 0.000 0.850 198 R HN 0.036 nan 8.270 nan 0.000 0.433 199 V N 0.578 120.427 119.914 -0.108 0.000 2.287 199 V HA -0.231 3.887 4.120 -0.002 0.000 0.248 199 V C 2.105 178.209 176.094 0.016 0.000 1.053 199 V CA 1.848 64.095 62.300 -0.088 0.000 1.027 199 V CB -0.672 31.047 31.823 -0.175 0.000 0.646 199 V HN 0.184 nan 8.190 nan 0.000 0.447 200 F N 0.838 120.675 119.950 -0.188 0.000 2.216 200 F HA -0.111 4.415 4.527 -0.002 0.000 0.300 200 F C 2.433 178.149 175.800 -0.139 0.000 1.085 200 F CA 0.767 58.623 58.000 -0.239 0.000 1.326 200 F CB -1.471 37.217 39.000 -0.520 0.000 1.027 200 F HN 0.148 nan 8.300 nan 0.000 0.497 201 A N -1.149 121.727 122.820 0.092 0.000 1.972 201 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 201 A C 1.599 179.184 177.584 0.002 0.000 1.169 201 A CA 1.766 53.834 52.037 0.051 0.000 0.635 201 A CB -0.869 18.158 19.000 0.045 0.000 0.810 201 A HN 0.314 nan 8.150 nan 0.000 0.446 202 T N -1.058 113.487 114.554 -0.015 0.000 2.943 202 T HA 0.355 4.704 4.350 -0.002 0.000 0.284 202 T C 0.499 175.118 174.700 -0.134 0.000 1.015 202 T CA -0.055 61.992 62.100 -0.087 0.000 1.042 202 T CB 0.905 69.731 68.868 -0.071 0.000 1.055 202 T HN 0.364 nan 8.240 nan 0.000 0.500 203 D N 1.022 121.233 120.400 -0.315 0.000 2.305 203 D HA -0.041 4.598 4.640 -0.002 0.000 0.206 203 D C 0.977 177.128 176.300 -0.247 0.000 0.974 203 D CA 0.824 54.632 54.000 -0.320 0.000 0.871 203 D CB 0.003 40.514 40.800 -0.481 0.000 0.947 203 D HN 0.782 nan 8.370 nan 0.000 0.516 204 H N -0.488 118.585 119.070 0.005 0.000 2.539 204 H HA 0.243 4.798 4.556 -0.002 0.000 0.269 204 H C -0.163 175.163 175.328 -0.002 0.000 0.980 204 H CA -0.374 55.673 56.048 -0.001 0.000 1.152 204 H CB 0.545 30.306 29.762 -0.002 0.000 1.407 204 H HN -0.055 nan 8.280 nan 0.000 0.564 205 L N 0.592 121.856 121.223 0.068 0.000 2.370 205 L HA 0.429 4.768 4.340 -0.002 0.000 0.266 205 L C -0.328 176.565 176.870 0.039 0.000 1.002 205 L CA -0.909 53.959 54.840 0.047 0.000 0.818 205 L CB 2.082 44.162 42.059 0.034 0.000 1.325 205 L HN 0.086 nan 8.230 nan 0.000 0.418 206 R N 1.932 122.454 120.500 0.035 0.000 2.476 206 R HA 0.561 4.900 4.340 -0.002 0.000 0.305 206 R C -1.362 174.977 176.300 0.065 0.000 0.965 206 R CA -0.874 55.258 56.100 0.053 0.000 0.867 206 R CB 1.415 31.735 30.300 0.034 0.000 1.176 206 R HN 0.490 nan 8.270 nan 0.000 0.447 207 L N 6.599 127.889 121.223 0.111 0.000 2.385 207 L HA 0.132 4.471 4.340 -0.002 0.000 0.281 207 L C 0.525 177.459 176.870 0.107 0.000 1.106 207 L CA 0.396 55.285 54.840 0.082 0.000 0.856 207 L CB 1.503 43.569 42.059 0.012 0.000 1.186 207 L HN 0.658 nan 8.230 nan 0.000 0.453 208 V N 2.256 122.228 119.914 0.096 0.000 3.643 208 V HA 0.786 4.905 4.120 -0.002 0.000 0.280 208 V C 0.637 176.788 176.094 0.095 0.000 1.351 208 V CA 0.617 62.985 62.300 0.112 0.000 1.073 208 V CB -0.304 31.615 31.823 0.160 0.000 0.863 208 V HN 0.851 nan 8.190 nan 0.000 0.436 209 G N -0.238 108.606 108.800 0.073 0.000 2.441 209 G HA2 0.584 4.543 3.960 -0.002 0.000 0.294 209 G HA3 0.584 4.543 3.960 -0.002 0.000 0.294 209 G C -2.086 172.840 174.900 0.043 0.000 1.393 209 G CA -0.810 44.322 45.100 0.054 0.000 0.796 209 G HN 0.218 nan 8.290 nan 0.000 0.494 210 L N 0.591 121.840 121.223 0.044 0.000 2.401 210 L HA 0.590 4.929 4.340 -0.002 0.000 0.266 210 L C -0.709 176.215 176.870 0.090 0.000 0.991 210 L CA -1.066 53.806 54.840 0.054 0.000 0.818 210 L CB 2.637 44.712 42.059 0.026 0.000 1.321 210 L HN 0.741 nan 8.230 nan 0.000 0.413 211 H N 1.561 120.633 119.070 0.004 0.000 2.572 211 H HA 0.610 5.165 4.556 -0.002 0.000 0.359 211 H C -1.770 173.575 175.328 0.028 0.000 1.134 211 H CA -0.204 55.855 56.048 0.018 0.000 1.187 211 H CB 2.368 32.153 29.762 0.039 0.000 1.597 211 H HN 0.544 nan 8.280 nan 0.000 0.524 212 S N 2.781 118.114 115.700 -0.612 0.000 2.540 212 S HA 0.330 4.799 4.470 -0.002 0.000 0.275 212 S C -1.883 172.426 174.600 -0.486 0.000 1.123 212 S CA -0.602 57.369 58.200 -0.382 0.000 0.907 212 S CB 1.011 64.109 63.200 -0.169 0.000 1.081 212 S HN 0.837 nan 8.310 nan 0.000 0.476 213 H N 3.504 122.387 119.070 -0.313 0.000 2.689 213 H HA 0.587 5.142 4.556 -0.002 0.000 0.346 213 H C 0.391 175.624 175.328 -0.159 0.000 1.037 213 H CA -0.580 55.342 56.048 -0.210 0.000 1.234 213 H CB 0.965 30.643 29.762 -0.141 0.000 1.572 213 H HN 0.605 nan 8.280 nan 0.000 0.524 214 I N 1.646 121.807 120.570 -0.681 0.000 4.154 214 I HA 0.689 4.858 4.170 -0.002 0.000 0.334 214 I C 0.498 176.253 176.117 -0.602 0.000 1.371 214 I CA 0.332 61.315 61.300 -0.528 0.000 1.110 214 I CB 0.569 38.279 38.000 -0.483 0.000 1.085 214 I HN 0.727 nan 8.210 nan 0.000 0.398 215 G N 1.662 109.999 108.800 -0.770 0.000 2.403 215 G HA2 0.315 4.273 3.960 -0.002 0.000 0.223 215 G HA3 0.315 4.273 3.960 -0.002 0.000 0.223 215 G C -1.264 173.418 174.900 -0.363 0.000 1.287 215 G CA 0.089 44.852 45.100 -0.561 0.000 0.982 215 G HN 0.622 nan 8.290 nan 0.000 0.471 216 S N -1.649 113.903 115.700 -0.246 0.000 2.550 216 S HA 0.584 5.052 4.470 -0.002 0.000 0.270 216 S C -0.247 174.330 174.600 -0.039 0.000 1.145 216 S CA 0.361 58.534 58.200 -0.046 0.000 0.852 216 S CB 2.138 65.342 63.200 0.006 0.000 1.119 216 S HN 1.577 nan 8.310 nan 0.000 0.465 217 Q N -0.019 119.759 119.800 -0.038 0.000 2.468 217 Q HA -0.143 4.196 4.340 -0.002 0.000 0.289 217 Q C -0.677 175.057 176.000 -0.444 0.000 1.299 217 Q CA 0.716 56.420 55.803 -0.164 0.000 0.838 217 Q CB -1.791 26.823 28.738 -0.206 0.000 1.195 217 Q HN 0.810 nan 8.270 nan 0.000 0.456 218 I N 0.598 121.056 120.570 -0.187 0.000 2.396 218 I HA 0.037 4.206 4.170 -0.002 0.000 0.289 218 I C 1.137 177.309 176.117 0.092 0.000 1.056 218 I CA -0.122 61.072 61.300 -0.177 0.000 1.365 218 I CB 0.210 38.123 38.000 -0.145 0.000 1.407 218 I HN -0.068 nan 8.210 nan 0.000 0.509 219 F N 2.443 122.331 119.950 -0.102 0.000 2.717 219 F HA 0.211 4.737 4.527 -0.001 0.000 0.295 219 F C 0.684 176.490 175.800 0.009 0.000 1.117 219 F CA -0.266 57.660 58.000 -0.123 0.000 1.361 219 F CB -0.328 38.388 39.000 -0.473 0.000 1.112 219 F HN 0.336 nan 8.300 nan 0.000 0.594 220 D N -1.376 119.157 120.400 0.221 0.000 2.450 220 D HA 0.277 4.916 4.640 -0.002 0.000 0.238 220 D C 0.645 177.083 176.300 0.229 0.000 1.020 220 D CA -0.375 53.764 54.000 0.233 0.000 1.010 220 D CB 2.604 43.550 40.800 0.244 0.000 1.342 220 D HN -0.229 nan 8.370 nan 0.000 0.530 221 V N 0.587 120.631 119.914 0.216 0.000 3.660 221 V HA -0.042 4.076 4.120 -0.002 0.000 0.276 221 V C 0.864 177.051 176.094 0.156 0.000 1.317 221 V CA 0.704 63.162 62.300 0.263 0.000 1.097 221 V CB -0.039 31.884 31.823 0.166 0.000 0.863 221 V HN 0.387 nan 8.190 nan 0.000 0.438 222 D N 0.771 121.224 120.400 0.088 0.000 2.144 222 D HA -0.106 4.533 4.640 -0.002 0.000 0.200 222 D C 2.040 178.107 176.300 -0.388 0.000 0.978 222 D CA 1.509 55.512 54.000 0.006 0.000 0.833 222 D CB -0.112 40.819 40.800 0.218 0.000 0.961 222 D HN 0.538 nan 8.370 nan 0.000 0.470 223 G N 0.738 109.205 108.800 -0.556 0.000 2.446 223 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.217 223 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.217 223 G C 1.405 175.902 174.900 -0.671 0.000 1.168 223 G CA 0.287 44.761 45.100 -1.044 0.000 0.771 223 G HN 0.139 nan 8.290 nan 0.000 0.551 224 F N 1.126 120.896 119.950 -0.300 0.000 2.161 224 F HA -0.035 4.491 4.527 -0.001 0.000 0.300 224 F C 2.549 178.244 175.800 -0.175 0.000 1.089 224 F CA 1.449 59.328 58.000 -0.202 0.000 1.282 224 F CB -0.423 38.505 39.000 -0.118 0.000 1.010 224 F HN 0.328 nan 8.300 nan 0.000 0.485 225 E N 0.245 120.451 120.200 0.010 0.000 2.051 225 E HA -0.234 4.115 4.350 -0.002 0.000 0.192 225 E C 2.234 178.807 176.600 -0.044 0.000 0.991 225 E CA 1.119 57.516 56.400 -0.006 0.000 0.799 225 E CB -0.346 29.347 29.700 -0.011 0.000 0.748 225 E HN 0.298 nan 8.360 nan 0.000 0.449 226 L N 0.940 122.053 121.223 -0.183 0.000 2.046 226 L HA -0.065 4.274 4.340 -0.002 0.000 0.208 226 L C 2.299 179.122 176.870 -0.078 0.000 1.077 226 L CA 2.139 56.887 54.840 -0.154 0.000 0.747 226 L CB -0.750 41.119 42.059 -0.317 0.000 0.896 226 L HN 0.233 nan 8.230 nan 0.000 0.432 227 A N -0.529 122.203 122.820 -0.147 0.000 1.902 227 A HA -0.126 4.193 4.320 -0.002 0.000 0.217 227 A C 2.453 180.030 177.584 -0.013 0.000 1.181 227 A CA 1.863 53.849 52.037 -0.085 0.000 0.623 227 A CB -1.182 17.747 19.000 -0.118 0.000 0.818 227 A HN 0.553 nan 8.150 nan 0.000 0.443 228 A N -0.986 121.845 122.820 0.019 0.000 1.933 228 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 228 A C 1.989 179.595 177.584 0.037 0.000 1.175 228 A CA 2.111 54.164 52.037 0.028 0.000 0.628 228 A CB -0.899 18.125 19.000 0.040 0.000 0.814 228 A HN 0.796 nan 8.150 nan 0.000 0.444 229 H N -0.603 118.451 119.070 -0.027 0.000 2.352 229 H HA -0.100 4.454 4.556 -0.002 0.000 0.299 229 H C 2.245 177.563 175.328 -0.015 0.000 1.097 229 H CA 2.209 58.246 56.048 -0.018 0.000 1.311 229 H CB -0.048 29.701 29.762 -0.022 0.000 1.377 229 H HN 0.388 nan 8.280 nan 0.000 0.504 230 R N -0.578 119.927 120.500 0.008 0.000 2.073 230 R HA -0.034 4.305 4.340 -0.002 0.000 0.229 230 R C 2.545 178.807 176.300 -0.064 0.000 1.120 230 R CA 1.148 57.225 56.100 -0.037 0.000 0.967 230 R CB -0.283 30.032 30.300 0.025 0.000 0.862 230 R HN 0.192 nan 8.270 nan 0.000 0.436 231 V N 0.930 120.819 119.914 -0.041 0.000 2.255 231 V HA -0.262 3.857 4.120 -0.002 0.000 0.247 231 V C 2.118 178.187 176.094 -0.042 0.000 1.051 231 V CA 1.954 64.234 62.300 -0.033 0.000 1.018 231 V CB -0.405 31.404 31.823 -0.025 0.000 0.641 231 V HN 0.301 nan 8.190 nan 0.000 0.445 232 I N 0.715 121.251 120.570 -0.058 0.000 2.454 232 I HA -0.138 4.031 4.170 -0.002 0.000 0.254 232 I C 2.535 178.601 176.117 -0.085 0.000 1.156 232 I CA 1.348 62.614 61.300 -0.057 0.000 1.433 232 I CB -0.886 37.086 38.000 -0.048 0.000 1.082 232 I HN 0.414 nan 8.210 nan 0.000 0.432 233 G N 1.199 109.908 108.800 -0.152 0.000 2.446 233 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.217 233 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.217 233 G C 1.687 176.551 174.900 -0.060 0.000 1.168 233 G CA 0.337 45.350 45.100 -0.146 0.000 0.771 233 G HN 0.287 nan 8.290 nan 0.000 0.551 234 L N 0.070 121.269 121.223 -0.039 0.000 2.017 234 L HA 0.004 4.343 4.340 -0.002 0.000 0.208 234 L C 2.796 179.678 176.870 0.020 0.000 1.073 234 L CA 1.247 56.085 54.840 -0.003 0.000 0.745 234 L CB -0.419 41.639 42.059 -0.001 0.000 0.894 234 L HN 0.234 nan 8.230 nan 0.000 0.432 235 L N -0.072 121.159 121.223 0.013 0.000 2.021 235 L HA -0.321 4.018 4.340 -0.002 0.000 0.215 235 L C 2.962 179.861 176.870 0.049 0.000 1.074 235 L CA 1.762 56.623 54.840 0.036 0.000 0.760 235 L CB -0.568 41.505 42.059 0.022 0.000 0.889 235 L HN 0.409 nan 8.230 nan 0.000 0.433 236 R N 0.218 120.730 120.500 0.020 0.000 2.091 236 R HA -0.201 4.138 4.340 -0.002 0.000 0.238 236 R C 1.699 178.023 176.300 0.040 0.000 1.136 236 R CA 2.149 58.263 56.100 0.023 0.000 0.959 236 R CB -0.566 29.731 30.300 -0.005 0.000 0.856 236 R HN 0.486 nan 8.270 nan 0.000 0.437 237 D N 0.227 120.649 120.400 0.037 0.000 2.117 237 D HA -0.115 4.524 4.640 -0.002 0.000 0.197 237 D C 2.076 178.435 176.300 0.099 0.000 0.987 237 D CA 1.140 55.167 54.000 0.046 0.000 0.829 237 D CB -0.240 40.581 40.800 0.034 0.000 0.961 237 D HN 0.096 nan 8.370 nan 0.000 0.460 238 V N 1.661 121.668 119.914 0.155 0.000 2.233 238 V HA -0.231 3.888 4.120 -0.002 0.000 0.247 238 V C 2.826 179.142 176.094 0.370 0.000 1.050 238 V CA 1.981 64.471 62.300 0.315 0.000 1.010 238 V CB -0.836 31.137 31.823 0.251 0.000 0.637 238 V HN 0.186 nan 8.190 nan 0.000 0.444 239 V N 0.345 120.396 119.914 0.228 0.000 2.626 239 V HA -0.046 4.072 4.120 -0.002 0.000 0.252 239 V C 2.282 178.447 176.094 0.118 0.000 1.067 239 V CA 2.253 64.660 62.300 0.178 0.000 1.081 239 V CB -1.320 30.570 31.823 0.111 0.000 0.686 239 V HN 0.437 nan 8.190 nan 0.000 0.468 240 G N -0.214 108.635 108.800 0.082 0.000 2.459 240 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.217 240 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.217 240 G C 1.558 176.451 174.900 -0.011 0.000 1.183 240 G CA 1.011 46.128 45.100 0.029 0.000 0.776 240 G HN 0.635 nan 8.290 nan 0.000 0.552 241 E N -0.770 119.402 120.200 -0.047 0.000 2.158 241 E HA 0.052 4.401 4.350 -0.002 0.000 0.191 241 E C 1.600 177.954 176.600 -0.409 0.000 0.982 241 E CA 0.356 56.589 56.400 -0.278 0.000 0.823 241 E CB -0.005 29.428 29.700 -0.445 0.000 0.766 241 E HN 0.525 nan 8.360 nan 0.000 0.468 242 F N -0.151 119.841 119.950 0.071 0.000 2.704 242 F HA 0.337 4.863 4.527 -0.002 0.000 0.304 242 F C 0.780 176.564 175.800 -0.026 0.000 1.094 242 F CA 0.320 58.337 58.000 0.028 0.000 1.275 242 F CB 1.269 40.301 39.000 0.053 0.000 1.073 242 F HN 0.026 nan 8.300 nan 0.000 0.586 243 G N 1.614 110.489 108.800 0.125 0.000 2.764 243 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.686 243 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.686 243 G C -2.955 171.978 174.900 0.055 0.000 1.258 243 G CA -1.429 43.707 45.100 0.061 0.000 0.846 243 G HN -0.063 nan 8.290 nan 0.000 0.596 244 P HA 0.266 nan 4.420 nan 0.000 0.266 244 P C 0.487 177.791 177.300 0.006 0.000 1.419 244 P CA 0.678 63.795 63.100 0.028 0.000 1.112 244 P CB 0.808 32.524 31.700 0.026 0.000 1.438 245 E N 1.882 122.074 120.200 -0.013 0.000 2.713 245 E HA -0.036 4.313 4.350 -0.002 0.000 0.289 245 E C 0.862 177.410 176.600 -0.086 0.000 1.103 245 E CA -0.050 56.327 56.400 -0.038 0.000 2.118 245 E CB -0.345 29.335 29.700 -0.033 0.000 2.234 245 E HN 0.082 nan 8.360 nan 0.000 1.092 246 K N 1.550 121.857 120.400 -0.156 0.000 2.555 246 K HA 0.009 4.328 4.320 -0.002 0.000 0.193 246 K C 1.512 177.908 176.600 -0.339 0.000 1.032 246 K CA 1.771 57.853 56.287 -0.341 0.000 1.004 246 K CB 0.024 32.160 32.500 -0.606 0.000 0.804 246 K HN 0.251 nan 8.250 nan 0.000 0.496 247 T N -4.603 109.881 114.554 -0.117 0.000 2.985 247 T HA 0.305 4.654 4.350 -0.002 0.000 0.254 247 T C 1.790 176.520 174.700 0.051 0.000 1.021 247 T CA 0.155 62.275 62.100 0.033 0.000 0.957 247 T CB 0.313 69.253 68.868 0.121 0.000 1.047 247 T HN 0.056 nan 8.240 nan 0.000 0.511 248 A N 2.679 125.507 122.820 0.014 0.000 1.986 248 A HA -0.155 4.164 4.320 -0.002 0.000 0.220 248 A C 2.392 179.997 177.584 0.034 0.000 1.171 248 A CA 1.777 53.827 52.037 0.022 0.000 0.640 248 A CB -0.589 18.415 19.000 0.006 0.000 0.811 248 A HN 0.633 nan 8.150 nan 0.000 0.451 249 Q N 0.391 120.213 119.800 0.037 0.000 2.403 249 Q HA 0.093 4.432 4.340 -0.002 0.000 0.203 249 Q C 0.266 176.312 176.000 0.076 0.000 0.932 249 Q CA 0.279 56.113 55.803 0.051 0.000 0.945 249 Q CB -0.681 28.082 28.738 0.042 0.000 1.045 249 Q HN 0.669 nan 8.270 nan 0.000 0.511 250 I N 2.120 122.744 120.570 0.090 0.000 2.268 250 I HA 0.159 4.328 4.170 -0.002 0.000 0.298 250 I C 0.916 177.073 176.117 0.067 0.000 1.185 250 I CA 0.034 61.389 61.300 0.092 0.000 1.548 250 I CB 0.130 38.197 38.000 0.113 0.000 1.492 250 I HN 0.096 nan 8.210 nan 0.000 0.711 251 A N 3.332 126.190 122.820 0.063 0.000 2.220 251 A HA 0.213 4.532 4.320 -0.002 0.000 0.211 251 A C 0.944 178.553 177.584 0.041 0.000 1.176 251 A CA 0.457 52.526 52.037 0.052 0.000 0.834 251 A CB 0.200 19.234 19.000 0.057 0.000 0.868 251 A HN 0.487 nan 8.150 nan 0.000 0.488 252 T N -0.080 114.497 114.554 0.038 0.000 2.848 252 T HA 0.506 4.855 4.350 -0.002 0.000 0.285 252 T C -1.085 173.622 174.700 0.011 0.000 0.995 252 T CA -0.278 61.834 62.100 0.019 0.000 0.970 252 T CB 1.873 70.746 68.868 0.009 0.000 0.976 252 T HN -0.114 nan 8.240 nan 0.000 0.441 253 V N 3.668 123.579 119.914 -0.005 0.000 2.334 253 V HA 0.350 4.469 4.120 -0.002 0.000 0.281 253 V C -0.333 175.732 176.094 -0.048 0.000 1.016 253 V CA -0.780 61.510 62.300 -0.016 0.000 0.832 253 V CB 1.416 33.232 31.823 -0.013 0.000 0.999 253 V HN 0.812 nan 8.190 nan 0.000 0.439 254 D N 4.732 125.103 120.400 -0.048 0.000 2.317 254 D HA 0.308 4.947 4.640 -0.002 0.000 0.234 254 D C 0.430 176.640 176.300 -0.150 0.000 1.112 254 D CA -0.223 53.727 54.000 -0.084 0.000 0.840 254 D CB 1.790 42.606 40.800 0.027 0.000 1.078 254 D HN 0.438 nan 8.370 nan 0.000 0.486 255 L N 3.453 124.580 121.223 -0.160 0.000 2.653 255 L HA 0.279 4.618 4.340 -0.002 0.000 0.231 255 L C 1.472 178.288 176.870 -0.091 0.000 1.153 255 L CA -0.017 54.749 54.840 -0.122 0.000 0.933 255 L CB -0.452 41.563 42.059 -0.074 0.000 1.175 255 L HN 0.673 nan 8.230 nan 0.000 0.473 256 G N 0.123 108.836 108.800 -0.145 0.000 2.598 256 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.244 256 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.244 256 G C 0.205 175.156 174.900 0.084 0.000 1.302 256 G CA -0.415 44.697 45.100 0.021 0.000 0.903 256 G HN 0.415 nan 8.290 nan 0.000 0.575 257 G N -2.800 106.165 108.800 0.275 0.000 2.940 257 G HA2 0.701 4.660 3.960 -0.002 0.000 0.164 257 G HA3 0.701 4.660 3.960 -0.002 0.000 0.164 257 G C 1.449 176.448 174.900 0.166 0.000 1.326 257 G CA 1.143 46.349 45.100 0.176 0.000 1.020 257 G HN 2.637 nan 8.290 nan 0.000 0.586 258 G N -1.736 107.159 108.800 0.159 0.000 2.176 258 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.232 258 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.232 258 G C 0.440 175.413 174.900 0.121 0.000 0.986 258 G CA 0.161 45.310 45.100 0.082 0.000 0.643 258 G HN 0.632 nan 8.290 nan 0.000 0.522 259 L N 1.100 122.417 121.223 0.156 0.000 2.525 259 L HA 0.433 4.771 4.340 -0.002 0.000 0.278 259 L C 1.416 178.388 176.870 0.171 0.000 1.218 259 L CA 0.559 55.502 54.840 0.171 0.000 0.878 259 L CB 0.249 42.383 42.059 0.124 0.000 1.127 259 L HN 0.248 nan 8.230 nan 0.000 0.492 260 G N 3.478 112.425 108.800 0.245 0.000 2.389 260 G HA2 0.637 4.596 3.960 -0.002 0.000 0.317 260 G HA3 0.637 4.596 3.960 -0.002 0.000 0.317 260 G C -0.488 174.576 174.900 0.273 0.000 1.137 260 G CA -0.628 44.692 45.100 0.366 0.000 0.870 260 G HN 0.679 nan 8.290 nan 0.000 0.496 261 I N -1.774 118.914 120.570 0.198 0.000 3.170 261 I HA 0.708 4.877 4.170 -0.002 0.000 0.312 261 I C -0.165 175.923 176.117 -0.048 0.000 1.085 261 I CA -1.087 60.197 61.300 -0.026 0.000 0.999 261 I CB 2.273 40.159 38.000 -0.190 0.000 1.233 261 I HN 0.254 nan 8.210 nan 0.000 0.467 262 S N 1.342 116.955 115.700 -0.145 0.000 2.411 262 S HA 0.340 4.809 4.470 -0.002 0.000 0.294 262 S C 0.036 174.543 174.600 -0.156 0.000 1.115 262 S CA -0.356 57.791 58.200 -0.087 0.000 1.071 262 S CB 0.186 63.343 63.200 -0.070 0.000 0.967 262 S HN 0.587 nan 8.310 nan 0.000 0.488 263 Y N 2.177 122.502 120.300 0.043 0.000 2.365 263 Y HA 0.268 4.817 4.550 -0.001 0.000 0.293 263 Y C 0.721 176.630 175.900 0.014 0.000 1.119 263 Y CA 0.449 58.543 58.100 -0.010 0.000 1.203 263 Y CB 0.306 38.714 38.460 -0.088 0.000 1.026 263 Y HN 0.398 nan 8.280 nan 0.000 0.549 264 L N -0.231 121.109 121.223 0.195 0.000 2.370 264 L HA 0.288 4.627 4.340 -0.002 0.000 0.266 264 L C -1.747 175.207 176.870 0.140 0.000 1.002 264 L CA -2.192 52.750 54.840 0.170 0.000 0.818 264 L CB 2.115 44.274 42.059 0.167 0.000 1.325 264 L HN -0.239 nan 8.230 nan 0.000 0.418 265 P HA -0.188 nan 4.420 nan 0.000 0.216 265 P C 1.493 178.856 177.300 0.103 0.000 1.150 265 P CA 1.369 64.554 63.100 0.141 0.000 0.843 265 P CB 0.165 31.970 31.700 0.175 0.000 0.787 266 S N -2.099 113.665 115.700 0.107 0.000 2.447 266 S HA -0.088 4.381 4.470 -0.002 0.000 0.233 266 S C 0.750 175.405 174.600 0.091 0.000 1.006 266 S CA 0.461 58.717 58.200 0.093 0.000 0.957 266 S CB -1.162 62.100 63.200 0.104 0.000 0.773 266 S HN 0.052 nan 8.310 nan 0.000 0.507 267 D N 3.625 124.081 120.400 0.094 0.000 2.455 267 D HA 0.227 4.866 4.640 -0.002 0.000 0.241 267 D C -0.349 175.863 176.300 -0.147 0.000 1.138 267 D CA 0.427 54.461 54.000 0.057 0.000 0.877 267 D CB 0.741 41.609 40.800 0.113 0.000 1.187 267 D HN 0.565 nan 8.370 nan 0.000 0.451 268 D N 0.709 120.895 120.400 -0.358 0.000 2.613 268 D HA 0.183 4.821 4.640 -0.002 0.000 0.312 268 D C -2.699 173.210 176.300 -0.651 0.000 1.202 268 D CA -1.641 52.148 54.000 -0.351 0.000 0.825 268 D CB 0.543 41.302 40.800 -0.068 0.000 1.113 268 D HN 0.037 nan 8.370 nan 0.000 0.502 269 P HA 0.227 nan 4.420 nan 0.000 0.271 269 P C -2.302 174.877 177.300 -0.202 0.000 1.218 269 P CA -0.881 61.856 63.100 -0.605 0.000 0.780 269 P CB 0.472 31.939 31.700 -0.389 0.000 0.901 270 P HA 0.312 nan 4.420 nan 0.000 0.276 270 P C -2.536 174.756 177.300 -0.013 0.000 1.244 270 P CA -1.888 61.206 63.100 -0.011 0.000 0.801 270 P CB -1.018 30.706 31.700 0.041 0.000 1.006 271 P HA 0.015 nan 4.420 nan 0.000 0.264 271 P C 1.107 178.401 177.300 -0.011 0.000 1.183 271 P CA -0.046 63.045 63.100 -0.015 0.000 0.763 271 P CB 0.158 31.846 31.700 -0.020 0.000 0.807 272 I N 3.838 124.408 120.570 0.000 0.000 2.264 272 I HA -0.261 3.908 4.170 -0.002 0.000 0.248 272 I C 1.967 178.035 176.117 -0.081 0.000 1.111 272 I CA 1.849 63.157 61.300 0.013 0.000 1.382 272 I CB -0.935 37.111 38.000 0.077 0.000 1.060 272 I HN 0.438 nan 8.210 nan 0.000 0.418 273 A N -0.132 122.634 122.820 -0.089 0.000 1.940 273 A HA -0.294 4.025 4.320 -0.002 0.000 0.219 273 A C 2.376 179.875 177.584 -0.141 0.000 1.176 273 A CA 1.999 53.953 52.037 -0.139 0.000 0.631 273 A CB -0.873 18.073 19.000 -0.090 0.000 0.814 273 A HN 0.668 nan 8.150 nan 0.000 0.446 274 E N -0.314 119.834 120.200 -0.086 0.000 2.047 274 E HA -0.172 4.177 4.350 -0.002 0.000 0.191 274 E C 1.983 178.541 176.600 -0.069 0.000 0.987 274 E CA 1.264 57.626 56.400 -0.064 0.000 0.799 274 E CB -0.268 29.414 29.700 -0.030 0.000 0.752 274 E HN 0.569 nan 8.360 nan 0.000 0.449 275 L N 0.360 121.548 121.223 -0.058 0.000 2.072 275 L HA -0.005 4.333 4.340 -0.002 0.000 0.205 275 L C 2.475 179.272 176.870 -0.122 0.000 1.079 275 L CA 1.566 56.385 54.840 -0.034 0.000 0.752 275 L CB -0.351 41.729 42.059 0.035 0.000 0.906 275 L HN 0.243 nan 8.230 nan 0.000 0.436 276 A N 0.064 122.710 122.820 -0.289 0.000 1.908 276 A HA -0.199 4.119 4.320 -0.002 0.000 0.218 276 A C 2.449 179.793 177.584 -0.400 0.000 1.181 276 A CA 1.850 53.485 52.037 -0.669 0.000 0.627 276 A CB -1.109 17.081 19.000 -1.350 0.000 0.818 276 A HN 0.600 nan 8.150 nan 0.000 0.445 277 A N -0.323 122.337 122.820 -0.267 0.000 1.902 277 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 277 A C 2.102 179.624 177.584 -0.104 0.000 1.181 277 A CA 1.822 53.761 52.037 -0.163 0.000 0.623 277 A CB -0.426 18.503 19.000 -0.119 0.000 0.818 277 A HN 0.556 nan 8.150 nan 0.000 0.443 278 K N -0.835 119.516 120.400 -0.082 0.000 2.032 278 K HA -0.115 4.203 4.320 -0.002 0.000 0.209 278 K C 1.769 178.346 176.600 -0.039 0.000 1.048 278 K CA 1.302 57.566 56.287 -0.040 0.000 0.927 278 K CB -0.350 32.143 32.500 -0.011 0.000 0.712 278 K HN 0.287 nan 8.250 nan 0.000 0.441 279 L N 0.549 121.732 121.223 -0.066 0.000 2.042 279 L HA -0.114 4.225 4.340 -0.002 0.000 0.210 279 L C 2.374 179.219 176.870 -0.042 0.000 1.076 279 L CA 1.911 56.713 54.840 -0.063 0.000 0.749 279 L CB -1.335 40.675 42.059 -0.083 0.000 0.893 279 L HN 0.306 nan 8.230 nan 0.000 0.432 280 G N -2.201 106.561 108.800 -0.062 0.000 2.418 280 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.217 280 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.217 280 G C 1.579 176.463 174.900 -0.025 0.000 1.158 280 G CA 1.263 46.338 45.100 -0.043 0.000 0.771 280 G HN 0.371 nan 8.290 nan 0.000 0.545 281 T N 1.198 115.735 114.554 -0.028 0.000 2.777 281 T HA -0.028 4.321 4.350 -0.002 0.000 0.266 281 T C 2.388 177.087 174.700 -0.001 0.000 1.040 281 T CA 0.856 62.947 62.100 -0.014 0.000 1.141 281 T CB -0.154 68.704 68.868 -0.016 0.000 0.868 281 T HN 0.238 nan 8.240 nan 0.000 0.444 282 I N 0.786 121.357 120.570 0.001 0.000 2.118 282 I HA -0.203 3.965 4.170 -0.002 0.000 0.241 282 I C 2.449 178.576 176.117 0.017 0.000 1.070 282 I CA 1.180 62.489 61.300 0.015 0.000 1.327 282 I CB -0.440 37.572 38.000 0.020 0.000 1.034 282 I HN 0.096 nan 8.210 nan 0.000 0.405 283 V N 0.617 120.536 119.914 0.008 0.000 2.343 283 V HA -0.281 3.838 4.120 -0.002 0.000 0.247 283 V C 2.643 178.744 176.094 0.011 0.000 1.051 283 V CA 2.200 64.505 62.300 0.009 0.000 1.036 283 V CB -0.831 30.995 31.823 0.004 0.000 0.654 283 V HN 0.634 nan 8.190 nan 0.000 0.451 284 S N 0.111 115.816 115.700 0.008 0.000 2.355 284 S HA -0.246 4.222 4.470 -0.002 0.000 0.222 284 S C 1.730 176.338 174.600 0.013 0.000 1.031 284 S CA 1.692 59.898 58.200 0.009 0.000 0.993 284 S CB -0.583 62.619 63.200 0.004 0.000 0.859 284 S HN 0.543 nan 8.310 nan 0.000 0.453 285 D N 1.621 122.030 120.400 0.016 0.000 2.104 285 D HA -0.076 4.563 4.640 -0.002 0.000 0.194 285 D C 2.259 178.579 176.300 0.033 0.000 0.994 285 D CA 1.446 55.459 54.000 0.023 0.000 0.830 285 D CB -0.368 40.447 40.800 0.025 0.000 0.959 285 D HN 0.504 nan 8.370 nan 0.000 0.452 286 E N 0.406 120.629 120.200 0.038 0.000 2.106 286 E HA -0.105 4.244 4.350 -0.002 0.000 0.192 286 E C 2.233 178.846 176.600 0.022 0.000 0.984 286 E CA 1.001 57.429 56.400 0.048 0.000 0.806 286 E CB -0.289 29.444 29.700 0.056 0.000 0.750 286 E HN 0.347 nan 8.360 nan 0.000 0.458 287 S N 0.604 116.314 115.700 0.015 0.000 2.387 287 S HA -0.142 4.327 4.470 -0.002 0.000 0.226 287 S C 2.273 176.881 174.600 0.013 0.000 1.026 287 S CA 1.762 59.968 58.200 0.010 0.000 0.972 287 S CB -0.735 62.472 63.200 0.011 0.000 0.814 287 S HN 0.352 nan 8.310 nan 0.000 0.477 288 T N 1.372 115.936 114.554 0.016 0.000 2.821 288 T HA 0.090 4.439 4.350 -0.002 0.000 0.267 288 T C 1.949 176.660 174.700 0.018 0.000 1.046 288 T CA 1.378 63.488 62.100 0.016 0.000 1.139 288 T CB -0.846 68.031 68.868 0.015 0.000 0.871 288 T HN 0.527 nan 8.240 nan 0.000 0.454 289 A N 1.025 123.860 122.820 0.024 0.000 2.024 289 A HA 0.080 4.399 4.320 -0.002 0.000 0.220 289 A C 2.302 179.899 177.584 0.023 0.000 1.164 289 A CA 1.793 53.848 52.037 0.030 0.000 0.643 289 A CB -0.749 18.281 19.000 0.050 0.000 0.806 289 A HN 1.108 nan 8.150 nan 0.000 0.451 290 V N -4.528 115.394 119.914 0.013 0.000 3.271 290 V HA 0.587 4.706 4.120 -0.002 0.000 0.327 290 V C 1.066 177.166 176.094 0.009 0.000 1.389 290 V CA 0.353 62.656 62.300 0.006 0.000 1.156 290 V CB -0.827 30.988 31.823 -0.012 0.000 1.103 290 V HN 1.423 nan 8.190 nan 0.000 0.453 291 G N 0.812 109.619 108.800 0.012 0.000 2.176 291 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.252 291 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.252 291 G C -0.433 174.476 174.900 0.015 0.000 1.024 291 G CA 0.527 45.635 45.100 0.013 0.000 0.755 291 G HN 0.487 nan 8.290 nan 0.000 0.507 292 L N 1.034 122.266 121.223 0.015 0.000 2.334 292 L HA 0.675 5.014 4.340 -0.002 0.000 0.272 292 L C -1.499 175.382 176.870 0.017 0.000 1.020 292 L CA -2.674 52.177 54.840 0.018 0.000 0.812 292 L CB 1.242 43.312 42.059 0.019 0.000 1.264 292 L HN -0.036 nan 8.230 nan 0.000 0.439 293 P HA 0.045 nan 4.420 nan 0.000 0.272 293 P C -0.445 176.866 177.300 0.018 0.000 1.223 293 P CA -0.359 62.751 63.100 0.018 0.000 0.784 293 P CB 0.291 32.003 31.700 0.019 0.000 0.923 294 T N 2.233 116.796 114.554 0.016 0.000 2.817 294 T HA 0.234 4.583 4.350 -0.002 0.000 0.295 294 T C -2.086 172.624 174.700 0.018 0.000 0.958 294 T CA -1.107 61.002 62.100 0.015 0.000 1.157 294 T CB -0.931 67.944 68.868 0.012 0.000 0.898 294 T HN 0.208 nan 8.240 nan 0.000 0.536 295 P HA 0.270 nan 4.420 nan 0.000 0.274 295 P C -0.419 176.893 177.300 0.019 0.000 1.237 295 P CA -0.676 62.436 63.100 0.020 0.000 0.793 295 P CB 0.454 32.163 31.700 0.016 0.000 0.977 296 K N 1.684 122.097 120.400 0.022 0.000 2.382 296 K HA 0.171 4.490 4.320 -0.002 0.000 0.275 296 K C -0.510 176.096 176.600 0.010 0.000 1.009 296 K CA -0.216 56.085 56.287 0.023 0.000 0.970 296 K CB 0.074 32.592 32.500 0.029 0.000 0.934 296 K HN 0.410 nan 8.250 nan 0.000 0.479 297 L N 5.962 127.196 121.223 0.019 0.000 2.272 297 L HA 0.378 4.716 4.340 -0.002 0.000 0.289 297 L C -1.181 175.671 176.870 -0.031 0.000 1.032 297 L CA -0.770 54.073 54.840 0.006 0.000 0.810 297 L CB 1.420 43.517 42.059 0.062 0.000 1.205 297 L HN 0.485 nan 8.230 nan 0.000 0.422 298 V N 5.318 125.151 119.914 -0.134 0.000 2.864 298 V HA 0.585 4.704 4.120 -0.002 0.000 0.314 298 V C -0.409 175.468 176.094 -0.362 0.000 1.073 298 V CA -0.599 61.536 62.300 -0.275 0.000 0.956 298 V CB 2.623 34.221 31.823 -0.376 0.000 1.023 298 V HN 0.512 nan 8.190 nan 0.000 0.435 299 V N 2.558 122.176 119.914 -0.495 0.000 2.841 299 V HA 0.491 4.610 4.120 -0.002 0.000 0.310 299 V C -0.625 175.262 176.094 -0.345 0.000 1.090 299 V CA -0.440 61.559 62.300 -0.500 0.000 0.930 299 V CB 2.410 33.665 31.823 -0.946 0.000 1.014 299 V HN 1.020 nan 8.190 nan 0.000 0.425 300 E N 5.273 125.360 120.200 -0.189 0.000 3.588 300 E HA 0.269 4.617 4.350 -0.002 0.000 0.213 300 E C -2.626 173.948 176.600 -0.043 0.000 1.168 300 E CA -1.470 54.888 56.400 -0.070 0.000 1.254 300 E CB 0.981 30.666 29.700 -0.025 0.000 1.302 300 E HN 0.477 nan 8.360 nan 0.000 0.429 301 P HA 0.042 nan 4.420 nan 0.000 0.276 301 P C 0.283 177.601 177.300 0.031 0.000 1.230 301 P CA 0.174 63.284 63.100 0.017 0.000 0.776 301 P CB 2.063 33.775 31.700 0.021 0.000 0.888 302 G N 3.068 111.887 108.800 0.031 0.000 2.805 302 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.214 302 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.214 302 G C 1.550 176.521 174.900 0.118 0.000 1.220 302 G CA -0.031 45.051 45.100 -0.030 0.000 0.854 302 G HN 0.386 nan 8.290 nan 0.000 0.623 303 R N 0.422 121.016 120.500 0.156 0.000 2.113 303 R HA -0.135 4.204 4.340 -0.002 0.000 0.244 303 R C 2.652 179.003 176.300 0.086 0.000 1.142 303 R CA 1.768 57.968 56.100 0.166 0.000 0.953 303 R CB -0.335 30.102 30.300 0.229 0.000 0.860 303 R HN 0.324 nan 8.270 nan 0.000 0.438 304 A N 0.027 122.893 122.820 0.076 0.000 2.209 304 A HA -0.029 4.290 4.320 -0.002 0.000 0.212 304 A C 1.713 179.282 177.584 -0.026 0.000 1.158 304 A CA 0.707 52.762 52.037 0.029 0.000 0.742 304 A CB -0.079 18.953 19.000 0.053 0.000 0.790 304 A HN 0.202 nan 8.150 nan 0.000 0.472 305 I N -1.279 119.267 120.570 -0.040 0.000 2.685 305 I HA 0.059 4.228 4.170 -0.002 0.000 0.251 305 I C 2.637 178.523 176.117 -0.386 0.000 1.102 305 I CA 1.417 62.556 61.300 -0.269 0.000 1.442 305 I CB -1.426 36.385 38.000 -0.316 0.000 1.194 305 I HN 0.279 nan 8.210 nan 0.000 0.448 306 A N 0.665 123.434 122.820 -0.086 0.000 2.030 306 A HA 0.226 4.545 4.320 -0.002 0.000 0.215 306 A C 2.298 179.968 177.584 0.144 0.000 1.164 306 A CA 1.057 53.181 52.037 0.146 0.000 0.697 306 A CB -0.992 18.253 19.000 0.408 0.000 0.827 306 A HN 0.378 nan 8.150 nan 0.000 0.457 307 G N 0.915 109.763 108.800 0.080 0.000 2.484 307 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.215 307 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.215 307 G C -0.372 174.539 174.900 0.019 0.000 1.219 307 G CA 1.385 46.524 45.100 0.064 0.000 0.791 307 G HN 0.478 nan 8.290 nan 0.000 0.550 308 P HA 0.055 nan 4.420 nan 0.000 0.221 308 P C 1.838 179.132 177.300 -0.010 0.000 1.150 308 P CA 1.469 64.532 63.100 -0.063 0.000 0.800 308 P CB -0.297 31.360 31.700 -0.071 0.000 0.787 309 G N -1.203 107.631 108.800 0.056 0.000 2.744 309 G HA2 -0.034 3.924 3.960 -0.002 0.000 0.211 309 G HA3 -0.034 3.924 3.960 -0.002 0.000 0.211 309 G C 0.377 175.342 174.900 0.108 0.000 1.143 309 G CA 0.567 45.729 45.100 0.104 0.000 0.788 309 G HN 0.390 nan 8.290 nan 0.000 0.534 310 T N -0.441 114.163 114.554 0.083 0.000 2.863 310 T HA 0.632 4.981 4.350 -0.002 0.000 0.285 310 T C -0.367 174.346 174.700 0.023 0.000 1.009 310 T CA -0.957 61.186 62.100 0.072 0.000 0.989 310 T CB 1.709 70.624 68.868 0.080 0.000 1.004 310 T HN 0.363 nan 8.240 nan 0.000 0.455 311 I N 0.622 121.193 120.570 0.003 0.000 2.957 311 I HA 0.813 4.982 4.170 -0.002 0.000 0.310 311 I C -0.563 175.443 176.117 -0.185 0.000 1.063 311 I CA -0.878 60.376 61.300 -0.076 0.000 1.033 311 I CB 2.420 40.422 38.000 0.003 0.000 1.230 311 I HN 0.499 nan 8.210 nan 0.000 0.447 312 T N 4.442 118.796 114.554 -0.333 0.000 2.786 312 T HA 0.565 4.914 4.350 -0.002 0.000 0.283 312 T C -0.720 173.643 174.700 -0.563 0.000 0.992 312 T CA -0.253 61.450 62.100 -0.661 0.000 0.954 312 T CB 1.207 69.488 68.868 -0.979 0.000 0.934 312 T HN 0.559 nan 8.240 nan 0.000 0.440 313 L N 4.516 125.446 121.223 -0.489 0.000 2.295 313 L HA 0.680 5.019 4.340 -0.002 0.000 0.285 313 L C -1.634 175.047 176.870 -0.315 0.000 1.035 313 L CA -0.300 54.385 54.840 -0.258 0.000 0.806 313 L CB 0.409 42.412 42.059 -0.093 0.000 1.214 313 L HN 0.583 nan 8.230 nan 0.000 0.426 314 Y N 2.016 122.303 120.300 -0.021 0.000 2.576 314 Y HA 0.501 5.050 4.550 -0.002 0.000 0.346 314 Y C -0.482 175.420 175.900 0.004 0.000 1.018 314 Y CA -0.866 57.224 58.100 -0.018 0.000 1.050 314 Y CB 1.612 40.056 38.460 -0.025 0.000 1.280 314 Y HN 0.547 nan 8.280 nan 0.000 0.474 315 E N 1.064 121.378 120.200 0.190 0.000 2.166 315 E HA 0.535 4.884 4.350 -0.002 0.000 0.275 315 E C -1.414 175.228 176.600 0.070 0.000 0.941 315 E CA -0.699 55.764 56.400 0.105 0.000 0.784 315 E CB 1.321 31.065 29.700 0.074 0.000 1.115 315 E HN 0.470 nan 8.360 nan 0.000 0.399 316 V N 4.252 124.196 119.914 0.049 0.000 2.572 316 V HA 0.171 4.289 4.120 -0.002 0.000 0.291 316 V C 1.044 177.148 176.094 0.015 0.000 1.039 316 V CA 0.890 63.203 62.300 0.021 0.000 1.055 316 V CB 1.226 33.064 31.823 0.025 0.000 0.969 316 V HN 0.958 nan 8.190 nan 0.000 0.482 317 G N 3.581 112.383 108.800 0.002 0.000 2.798 317 G HA2 0.227 4.186 3.960 -0.002 0.000 0.200 317 G HA3 0.227 4.186 3.960 -0.002 0.000 0.200 317 G C 0.422 175.323 174.900 0.001 0.000 1.092 317 G CA 0.303 45.403 45.100 0.001 0.000 0.800 317 G HN 0.616 nan 8.290 nan 0.000 0.566 318 T N 0.019 114.574 114.554 0.002 0.000 2.909 318 T HA 0.572 4.921 4.350 -0.002 0.000 0.299 318 T C -1.423 173.289 174.700 0.020 0.000 1.073 318 T CA -0.310 61.794 62.100 0.007 0.000 0.999 318 T CB 2.857 71.727 68.868 0.003 0.000 1.098 318 T HN -0.015 nan 8.240 nan 0.000 0.477 319 V N 2.784 122.712 119.914 0.024 0.000 2.482 319 V HA 0.588 4.707 4.120 -0.002 0.000 0.295 319 V C -0.360 175.759 176.094 0.042 0.000 1.026 319 V CA -0.793 61.529 62.300 0.037 0.000 0.856 319 V CB 1.730 33.570 31.823 0.029 0.000 1.001 319 V HN 0.769 nan 8.190 nan 0.000 0.424 320 K N 2.708 123.150 120.400 0.071 0.000 2.426 320 K HA 0.505 4.824 4.320 -0.002 0.000 0.254 320 K C -1.346 175.315 176.600 0.103 0.000 0.936 320 K CA -0.635 55.688 56.287 0.061 0.000 0.801 320 K CB 1.899 34.416 32.500 0.028 0.000 1.139 320 K HN 0.696 nan 8.250 nan 0.000 0.424 321 D N 2.874 123.314 120.400 0.068 0.000 2.295 321 D HA 0.195 4.834 4.640 -0.002 0.000 0.248 321 D C -1.101 175.254 176.300 0.092 0.000 1.154 321 D CA -0.185 53.868 54.000 0.088 0.000 0.857 321 D CB 1.123 41.947 40.800 0.040 0.000 1.117 321 D HN 0.110 nan 8.370 nan 0.000 0.468 322 V N 5.120 125.126 119.914 0.154 0.000 2.384 322 V HA 0.173 4.292 4.120 -0.002 0.000 0.287 322 V C -0.156 176.025 176.094 0.145 0.000 1.020 322 V CA -1.048 61.316 62.300 0.107 0.000 0.850 322 V CB 1.482 33.345 31.823 0.067 0.000 0.987 322 V HN 0.596 nan 8.190 nan 0.000 0.436 323 D N 4.948 125.420 120.400 0.121 0.000 2.434 323 D HA 0.011 4.650 4.640 -0.002 0.000 0.252 323 D C 0.910 177.224 176.300 0.023 0.000 1.185 323 D CA -0.021 54.049 54.000 0.116 0.000 0.886 323 D CB 1.983 42.839 40.800 0.092 0.000 1.148 323 D HN 0.437 nan 8.370 nan 0.000 0.483 324 V N -0.019 119.866 119.914 -0.048 0.000 3.645 324 V HA 0.204 4.322 4.120 -0.002 0.000 0.275 324 V C 0.439 176.495 176.094 -0.064 0.000 1.356 324 V CA 0.839 63.115 62.300 -0.040 0.000 1.051 324 V CB -0.294 31.517 31.823 -0.019 0.000 0.828 324 V HN 0.745 nan 8.190 nan 0.000 0.441 325 S N -1.174 114.461 115.700 -0.107 0.000 2.727 325 S HA 0.783 5.252 4.470 -0.002 0.000 0.278 325 S C 0.847 175.396 174.600 -0.084 0.000 1.186 325 S CA 0.023 58.175 58.200 -0.080 0.000 0.836 325 S CB 0.956 64.110 63.200 -0.077 0.000 1.186 325 S HN 1.017 nan 8.310 nan 0.000 0.499 326 A N 0.524 123.315 122.820 -0.048 0.000 2.125 326 A HA 0.135 4.454 4.320 -0.002 0.000 0.219 326 A C 1.849 179.425 177.584 -0.013 0.000 1.156 326 A CA 2.168 54.195 52.037 -0.017 0.000 0.671 326 A CB -1.295 17.703 19.000 -0.003 0.000 0.794 326 A HN 1.403 nan 8.150 nan 0.000 0.459 327 T N -5.153 109.355 114.554 -0.077 0.000 2.964 327 T HA 0.619 4.968 4.350 -0.002 0.000 0.250 327 T C 0.649 175.175 174.700 -0.291 0.000 0.982 327 T CA 0.573 62.637 62.100 -0.061 0.000 0.959 327 T CB -0.073 68.784 68.868 -0.018 0.000 1.141 327 T HN 0.629 nan 8.240 nan 0.000 0.494 328 A N 1.520 124.031 122.820 -0.516 0.000 2.322 328 A HA 0.797 5.115 4.320 -0.002 0.000 0.327 328 A C -0.845 176.065 177.584 -1.124 0.000 1.134 328 A CA -0.813 50.768 52.037 -0.759 0.000 0.831 328 A CB 0.838 19.683 19.000 -0.257 0.000 1.288 328 A HN 0.559 nan 8.150 nan 0.000 0.472 329 H N -0.013 119.060 119.070 0.005 0.000 3.012 329 H HA 0.560 5.115 4.556 -0.002 0.000 0.367 329 H C -1.013 174.309 175.328 -0.009 0.000 1.211 329 H CA -0.656 55.399 56.048 0.013 0.000 1.139 329 H CB 1.717 31.489 29.762 0.016 0.000 1.838 329 H HN 0.780 nan 8.280 nan 0.000 0.550 330 R N 1.366 121.943 120.500 0.127 0.000 2.628 330 R HA 0.400 4.739 4.340 -0.002 0.000 0.288 330 R C -1.030 175.322 176.300 0.087 0.000 0.980 330 R CA -0.957 55.158 56.100 0.025 0.000 0.891 330 R CB 2.144 32.430 30.300 -0.023 0.000 1.188 330 R HN 0.538 nan 8.270 nan 0.000 0.450 331 R N 3.299 123.780 120.500 -0.031 0.000 2.198 331 R HA 0.198 4.537 4.340 -0.002 0.000 0.339 331 R C -1.556 174.721 176.300 -0.039 0.000 1.020 331 R CA -0.138 55.976 56.100 0.023 0.000 0.864 331 R CB 0.210 30.506 30.300 -0.008 0.000 1.105 331 R HN 0.456 nan 8.270 nan 0.000 0.463 332 Y N 3.506 123.791 120.300 -0.024 0.000 2.404 332 Y HA 0.265 4.814 4.550 -0.002 0.000 0.344 332 Y C -0.099 175.786 175.900 -0.026 0.000 0.995 332 Y CA -0.321 57.763 58.100 -0.027 0.000 1.201 332 Y CB 1.372 39.818 38.460 -0.023 0.000 1.151 332 Y HN 0.220 nan 8.280 nan 0.000 0.517 333 V N 4.038 123.972 119.914 0.034 0.000 2.313 333 V HA 0.287 4.406 4.120 -0.002 0.000 0.278 333 V C -0.143 175.949 176.094 -0.004 0.000 1.017 333 V CA -0.729 61.579 62.300 0.013 0.000 0.823 333 V CB 1.038 32.851 31.823 -0.016 0.000 1.010 333 V HN 0.730 nan 8.190 nan 0.000 0.443 334 S N 3.575 119.280 115.700 0.008 0.000 2.537 334 S HA 0.674 5.143 4.470 -0.002 0.000 0.275 334 S C -0.155 174.405 174.600 -0.065 0.000 1.272 334 S CA -0.287 57.900 58.200 -0.022 0.000 1.050 334 S CB 1.870 65.068 63.200 -0.003 0.000 0.961 334 S HN 0.485 nan 8.310 nan 0.000 0.496 335 V N 1.604 121.440 119.914 -0.131 0.000 3.155 335 V HA 0.293 4.412 4.120 -0.002 0.000 0.313 335 V C 0.579 176.584 176.094 -0.148 0.000 1.162 335 V CA -0.609 61.577 62.300 -0.189 0.000 1.048 335 V CB 2.192 33.747 31.823 -0.448 0.000 1.092 335 V HN 0.860 nan 8.190 nan 0.000 0.447 336 D N 0.436 120.792 120.400 -0.073 0.000 2.309 336 D HA 0.071 4.710 4.640 -0.002 0.000 0.212 336 D C 0.638 176.982 176.300 0.074 0.000 0.968 336 D CA 1.483 55.514 54.000 0.051 0.000 0.882 336 D CB 0.292 41.221 40.800 0.215 0.000 0.918 336 D HN 0.691 nan 8.370 nan 0.000 0.503 337 G N -2.056 106.769 108.800 0.041 0.000 3.418 337 G HA2 0.582 4.541 3.960 -0.002 0.000 0.179 337 G HA3 0.582 4.541 3.960 -0.002 0.000 0.179 337 G C 0.235 175.188 174.900 0.089 0.000 1.212 337 G CA 0.269 45.454 45.100 0.141 0.000 0.935 337 G HN 0.469 nan 8.290 nan 0.000 0.716 338 G N -1.053 107.870 108.800 0.206 0.000 2.288 338 G HA2 0.293 4.252 3.960 -0.002 0.000 0.227 338 G HA3 0.293 4.252 3.960 -0.002 0.000 0.227 338 G C 1.159 176.197 174.900 0.230 0.000 1.339 338 G CA 0.631 45.867 45.100 0.226 0.000 1.057 338 G HN 1.354 nan 8.290 nan 0.000 0.470 339 M N 0.797 120.492 119.600 0.158 0.000 2.346 339 M HA 0.033 4.512 4.480 -0.002 0.000 0.263 339 M C 2.226 178.531 176.300 0.009 0.000 1.064 339 M CA 3.034 58.352 55.300 0.031 0.000 1.083 339 M CB -0.653 31.921 32.600 -0.045 0.000 1.399 339 M HN 0.898 nan 8.290 nan 0.000 0.435 340 S N 1.396 117.129 115.700 0.055 0.000 2.402 340 S HA -0.187 4.282 4.470 -0.002 0.000 0.229 340 S C 1.137 175.831 174.600 0.158 0.000 1.021 340 S CA 1.423 59.698 58.200 0.125 0.000 0.974 340 S CB -0.703 62.676 63.200 0.298 0.000 0.800 340 S HN 0.845 nan 8.310 nan 0.000 0.484 341 D N -0.675 119.858 120.400 0.223 0.000 2.449 341 D HA 0.199 4.838 4.640 -0.002 0.000 0.210 341 D C 0.253 176.730 176.300 0.294 0.000 1.094 341 D CA -0.349 53.824 54.000 0.288 0.000 0.846 341 D CB 0.004 41.001 40.800 0.328 0.000 1.003 341 D HN 0.311 nan 8.370 nan 0.000 0.504 342 N N 0.457 119.279 118.700 0.202 0.000 2.827 342 N HA 0.118 4.857 4.740 -0.002 0.000 0.240 342 N C -0.898 174.692 175.510 0.134 0.000 1.352 342 N CA -0.416 52.736 53.050 0.169 0.000 0.760 342 N CB 0.718 39.249 38.487 0.073 0.000 1.426 342 N HN 0.195 nan 8.380 nan 0.000 0.561 343 I N 1.873 122.516 120.570 0.121 0.000 3.564 343 I HA 0.125 4.294 4.170 -0.002 0.000 0.294 343 I C 1.732 177.883 176.117 0.057 0.000 1.289 343 I CA 0.301 61.632 61.300 0.051 0.000 1.325 343 I CB 0.167 38.159 38.000 -0.015 0.000 1.039 343 I HN 0.324 nan 8.210 nan 0.000 0.474 344 R N -0.342 120.272 120.500 0.190 0.000 2.120 344 R HA -0.121 4.218 4.340 -0.002 0.000 0.234 344 R C 1.979 178.398 176.300 0.198 0.000 1.123 344 R CA 1.900 58.165 56.100 0.275 0.000 0.975 344 R CB -0.659 29.901 30.300 0.432 0.000 0.866 344 R HN 0.363 nan 8.270 nan 0.000 0.446 345 T N 0.988 115.671 114.554 0.214 0.000 2.701 345 T HA -0.112 4.236 4.350 -0.002 0.000 0.263 345 T C 1.998 176.725 174.700 0.046 0.000 1.040 345 T CA 1.447 63.631 62.100 0.140 0.000 1.147 345 T CB -0.241 68.731 68.868 0.173 0.000 0.865 345 T HN 0.363 nan 8.240 nan 0.000 0.426 346 A N 1.033 123.864 122.820 0.018 0.000 1.902 346 A HA -0.010 4.309 4.320 -0.002 0.000 0.217 346 A C 2.237 179.758 177.584 -0.105 0.000 1.181 346 A CA 1.285 53.301 52.037 -0.035 0.000 0.623 346 A CB -0.712 18.262 19.000 -0.044 0.000 0.818 346 A HN 0.381 nan 8.150 nan 0.000 0.443 347 L N -2.222 118.889 121.223 -0.188 0.000 2.068 347 L HA 0.065 4.403 4.340 -0.002 0.000 0.204 347 L C 1.541 178.138 176.870 -0.455 0.000 1.076 347 L CA 1.786 56.369 54.840 -0.429 0.000 0.753 347 L CB -0.441 41.183 42.059 -0.725 0.000 0.910 347 L HN 0.492 nan 8.230 nan 0.000 0.439 348 Y N -1.336 118.932 120.300 -0.053 0.000 2.527 348 Y HA 0.475 5.024 4.550 -0.002 0.000 0.247 348 Y C 1.502 177.341 175.900 -0.100 0.000 1.138 348 Y CA -0.044 58.004 58.100 -0.087 0.000 1.228 348 Y CB 0.274 38.666 38.460 -0.114 0.000 1.252 348 Y HN 0.136 nan 8.280 nan 0.000 0.531 349 G N 1.289 110.112 108.800 0.038 0.000 2.198 349 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.260 349 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.260 349 G C 0.424 175.299 174.900 -0.042 0.000 1.025 349 G CA -0.004 45.094 45.100 -0.003 0.000 0.769 349 G HN 0.653 nan 8.290 nan 0.000 0.507 350 A N -0.643 122.147 122.820 -0.050 0.000 2.555 350 A HA 0.484 4.803 4.320 -0.002 0.000 0.233 350 A C 0.668 178.089 177.584 -0.272 0.000 1.060 350 A CA 0.757 52.634 52.037 -0.267 0.000 0.759 350 A CB 0.245 19.027 19.000 -0.364 0.000 0.995 350 A HN 0.665 nan 8.150 nan 0.000 0.506 351 Q N 0.358 119.917 119.800 -0.401 0.000 2.316 351 Q HA 0.556 4.895 4.340 -0.002 0.000 0.264 351 Q C -1.689 174.089 176.000 -0.369 0.000 0.987 351 Q CA -0.105 55.559 55.803 -0.232 0.000 0.852 351 Q CB 1.871 30.561 28.738 -0.080 0.000 1.287 351 Q HN 0.738 nan 8.270 nan 0.000 0.448 352 Y N -0.014 120.310 120.300 0.039 0.000 2.562 352 Y HA 0.260 4.809 4.550 -0.002 0.000 0.343 352 Y C -0.282 175.692 175.900 0.123 0.000 1.025 352 Y CA -1.023 57.132 58.100 0.092 0.000 1.082 352 Y CB 1.793 40.301 38.460 0.080 0.000 1.264 352 Y HN 0.547 nan 8.280 nan 0.000 0.478 353 D N 1.168 121.762 120.400 0.324 0.000 2.198 353 D HA 0.406 5.044 4.640 -0.002 0.000 0.245 353 D C -1.502 174.988 176.300 0.317 0.000 1.079 353 D CA -0.058 54.118 54.000 0.294 0.000 0.854 353 D CB 1.547 42.511 40.800 0.273 0.000 1.148 353 D HN 0.317 nan 8.370 nan 0.000 0.456 354 V N 4.393 124.506 119.914 0.332 0.000 2.656 354 V HA 0.770 4.889 4.120 -0.002 0.000 0.307 354 V C -1.280 175.008 176.094 0.323 0.000 1.051 354 V CA -0.527 61.962 62.300 0.316 0.000 0.893 354 V CB 1.692 33.640 31.823 0.209 0.000 0.999 354 V HN 0.539 nan 8.190 nan 0.000 0.426 355 R N 3.824 124.517 120.500 0.322 0.000 2.651 355 R HA 0.583 4.922 4.340 -0.002 0.000 0.278 355 R C -1.308 175.058 176.300 0.111 0.000 1.010 355 R CA -0.614 55.593 56.100 0.177 0.000 0.896 355 R CB 1.776 32.104 30.300 0.046 0.000 1.211 355 R HN 0.797 nan 8.270 nan 0.000 0.456 356 L N 3.967 125.229 121.223 0.065 0.000 2.462 356 L HA 0.199 4.538 4.340 -0.002 0.000 0.272 356 L C 0.470 177.339 176.870 -0.002 0.000 1.166 356 L CA 0.553 55.419 54.840 0.042 0.000 0.880 356 L CB 0.975 43.057 42.059 0.038 0.000 1.142 356 L HN 0.657 nan 8.230 nan 0.000 0.473 357 V N 0.370 120.289 119.914 0.008 0.000 3.502 357 V HA 0.217 4.336 4.120 -0.002 0.000 0.288 357 V C 1.193 177.282 176.094 -0.008 0.000 1.461 357 V CA 0.865 63.151 62.300 -0.023 0.000 1.029 357 V CB -0.059 31.760 31.823 -0.007 0.000 0.843 357 V HN 0.845 nan 8.190 nan 0.000 0.438 358 S N 1.235 116.940 115.700 0.009 0.000 2.503 358 S HA 0.346 4.815 4.470 -0.002 0.000 0.215 358 S C 0.816 175.420 174.600 0.006 0.000 1.003 358 S CA -0.003 58.204 58.200 0.012 0.000 0.910 358 S CB -0.088 63.126 63.200 0.023 0.000 0.790 358 S HN 0.902 nan 8.310 nan 0.000 0.514 359 R N -0.618 119.884 120.500 0.003 0.000 2.733 359 R HA 0.674 5.013 4.340 -0.002 0.000 0.272 359 R C -2.037 174.260 176.300 -0.004 0.000 1.029 359 R CA -1.039 55.062 56.100 0.001 0.000 0.888 359 R CB 1.051 31.356 30.300 0.008 0.000 1.251 359 R HN -0.048 nan 8.270 nan 0.000 0.464 360 V N 1.375 121.287 119.914 -0.003 0.000 2.383 360 V HA 0.311 4.430 4.120 -0.002 0.000 0.275 360 V C 0.055 176.152 176.094 0.005 0.000 1.036 360 V CA -0.377 61.921 62.300 -0.003 0.000 0.889 360 V CB 1.261 33.081 31.823 -0.005 0.000 0.985 360 V HN 0.762 nan 8.190 nan 0.000 0.459 361 S N 2.464 118.170 115.700 0.010 0.000 2.541 361 S HA 0.318 4.787 4.470 -0.002 0.000 0.283 361 S C 0.464 175.074 174.600 0.016 0.000 1.196 361 S CA -0.643 57.567 58.200 0.016 0.000 1.062 361 S CB 1.153 64.368 63.200 0.025 0.000 1.009 361 S HN 0.772 nan 8.310 nan 0.000 0.502 362 D N 2.312 122.722 120.400 0.015 0.000 2.349 362 D HA 0.298 4.937 4.640 -0.002 0.000 0.214 362 D C 0.598 176.910 176.300 0.020 0.000 1.063 362 D CA 0.181 54.190 54.000 0.015 0.000 0.847 362 D CB 0.222 41.029 40.800 0.011 0.000 0.933 362 D HN 0.599 nan 8.370 nan 0.000 0.513 363 A N 1.991 124.827 122.820 0.027 0.000 2.407 363 A HA 0.414 4.732 4.320 -0.002 0.000 0.248 363 A C -2.042 175.568 177.584 0.043 0.000 1.082 363 A CA -0.918 51.139 52.037 0.034 0.000 0.785 363 A CB 0.014 19.036 19.000 0.037 0.000 1.020 363 A HN -0.048 nan 8.150 nan 0.000 0.489 364 P HA 0.245 nan 4.420 nan 0.000 0.272 364 P C -2.724 174.635 177.300 0.098 0.000 1.230 364 P CA -1.119 62.018 63.100 0.061 0.000 0.788 364 P CB -0.212 31.524 31.700 0.059 0.000 0.949 365 P HA 0.222 nan 4.420 nan 0.000 0.276 365 P C -0.803 176.713 177.300 0.360 0.000 1.244 365 P CA -0.183 63.055 63.100 0.230 0.000 0.801 365 P CB 0.852 32.665 31.700 0.189 0.000 1.006 366 V N 2.859 123.032 119.914 0.431 0.000 2.817 366 V HA 0.293 4.412 4.120 -0.002 0.000 0.303 366 V C -2.495 173.580 176.094 -0.032 0.000 1.151 366 V CA -2.092 60.355 62.300 0.243 0.000 0.929 366 V CB 2.592 34.490 31.823 0.125 0.000 1.030 366 V HN 0.523 nan 8.190 nan 0.000 0.427 367 P HA 0.387 nan 4.420 nan 0.000 0.265 367 P C -0.828 176.191 177.300 -0.469 0.000 1.193 367 P CA 0.264 62.788 63.100 -0.960 0.000 0.765 367 P CB 1.108 32.278 31.700 -0.884 0.000 0.823 368 A N 3.113 125.651 122.820 -0.471 0.000 2.594 368 A HA 0.792 5.111 4.320 -0.002 0.000 0.291 368 A C -0.945 176.422 177.584 -0.361 0.000 1.105 368 A CA -0.802 51.045 52.037 -0.316 0.000 0.694 368 A CB 1.760 20.650 19.000 -0.182 0.000 1.291 368 A HN 0.526 nan 8.150 nan 0.000 0.410 369 R N 0.380 120.617 120.500 -0.438 0.000 2.574 369 R HA 0.626 4.965 4.340 -0.002 0.000 0.288 369 R C -2.103 174.018 176.300 -0.299 0.000 1.004 369 R CA -0.587 55.251 56.100 -0.437 0.000 0.895 369 R CB 1.471 31.310 30.300 -0.769 0.000 1.191 369 R HN 0.716 nan 8.270 nan 0.000 0.444 370 L N 6.182 127.311 121.223 -0.156 0.000 2.264 370 L HA 0.533 4.872 4.340 -0.002 0.000 0.289 370 L C -0.964 175.856 176.870 -0.083 0.000 1.044 370 L CA -0.385 54.393 54.840 -0.104 0.000 0.807 370 L CB 1.580 43.597 42.059 -0.070 0.000 1.192 370 L HN 0.513 nan 8.230 nan 0.000 0.425 371 V N 2.423 122.298 119.914 -0.064 0.000 2.962 371 V HA 0.993 5.112 4.120 -0.002 0.000 0.313 371 V C 0.292 176.350 176.094 -0.060 0.000 1.099 371 V CA -0.079 62.215 62.300 -0.010 0.000 0.971 371 V CB 1.109 32.996 31.823 0.107 0.000 1.028 371 V HN 0.774 nan 8.190 nan 0.000 0.430 372 G N 1.877 110.666 108.800 -0.018 0.000 2.509 372 G HA2 0.439 4.398 3.960 -0.002 0.000 0.269 372 G HA3 0.439 4.398 3.960 -0.002 0.000 0.269 372 G C 0.290 175.171 174.900 -0.031 0.000 1.416 372 G CA -0.102 44.979 45.100 -0.032 0.000 1.052 372 G HN 1.176 nan 8.290 nan 0.000 0.542 373 K N -0.976 119.364 120.400 -0.099 0.000 2.387 373 K HA 0.237 4.556 4.320 -0.002 0.000 0.203 373 K C -0.220 176.262 176.600 -0.198 0.000 1.030 373 K CA -0.332 55.865 56.287 -0.150 0.000 1.099 373 K CB 0.103 32.491 32.500 -0.186 0.000 0.863 373 K HN 0.481 nan 8.250 nan 0.000 0.529 374 H N 0.217 119.269 119.070 -0.030 0.000 2.615 374 H HA 0.126 4.681 4.556 -0.002 0.000 0.363 374 H C -0.082 175.210 175.328 -0.060 0.000 1.148 374 H CA -0.333 55.669 56.048 -0.077 0.000 1.401 374 H CB 0.972 30.722 29.762 -0.020 0.000 1.461 374 H HN 0.139 nan 8.280 nan 0.000 0.588 375 C N 3.056 122.363 119.300 0.012 0.000 2.554 375 C HA 0.124 4.583 4.460 -0.002 0.000 0.434 375 C C 0.112 175.134 174.990 0.054 0.000 1.316 375 C CA 0.023 59.040 59.018 -0.002 0.000 1.671 375 C CB -2.454 25.256 27.740 -0.051 0.000 2.172 375 C HN 0.736 nan 8.230 nan 0.000 0.601 376 E N -1.622 118.643 120.200 0.107 0.000 2.343 376 E HA 0.303 4.652 4.350 -0.002 0.000 0.278 376 E C 0.106 176.758 176.600 0.087 0.000 0.910 376 E CA -0.568 55.897 56.400 0.108 0.000 0.757 376 E CB 0.970 30.765 29.700 0.159 0.000 1.218 376 E HN -0.103 nan 8.360 nan 0.000 0.435 377 S N 2.012 117.746 115.700 0.056 0.000 2.380 377 S HA -0.169 4.300 4.470 -0.002 0.000 0.229 377 S C 1.565 176.202 174.600 0.063 0.000 1.043 377 S CA 1.959 60.187 58.200 0.046 0.000 1.038 377 S CB -0.435 62.781 63.200 0.026 0.000 0.872 377 S HN 0.737 nan 8.310 nan 0.000 0.456 378 G N 0.385 109.219 108.800 0.056 0.000 2.848 378 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.208 378 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.208 378 G C 0.182 175.116 174.900 0.056 0.000 1.152 378 G CA 0.009 45.137 45.100 0.046 0.000 0.789 378 G HN 0.458 nan 8.290 nan 0.000 0.531 379 D N 0.904 121.356 120.400 0.087 0.000 2.545 379 D HA 0.201 4.840 4.640 -0.002 0.000 0.227 379 D C 0.058 176.413 176.300 0.091 0.000 1.150 379 D CA -0.234 53.830 54.000 0.107 0.000 1.046 379 D CB -0.525 40.385 40.800 0.183 0.000 1.098 379 D HN 0.116 nan 8.370 nan 0.000 0.502 380 I N 3.262 123.872 120.570 0.067 0.000 2.433 380 I HA 0.249 4.418 4.170 -0.002 0.000 0.292 380 I C 1.057 177.200 176.117 0.044 0.000 1.001 380 I CA -0.787 60.543 61.300 0.051 0.000 1.119 380 I CB 2.035 40.064 38.000 0.049 0.000 1.289 380 I HN 0.202 nan 8.210 nan 0.000 0.438 381 I N 5.272 125.851 120.570 0.015 0.000 2.810 381 I HA 0.100 4.269 4.170 -0.002 0.000 0.262 381 I C -0.029 176.132 176.117 0.073 0.000 1.131 381 I CA 0.656 61.964 61.300 0.014 0.000 1.453 381 I CB 0.359 38.314 38.000 -0.074 0.000 1.161 381 I HN 0.211 nan 8.210 nan 0.000 0.444 382 V N 1.522 121.468 119.914 0.053 0.000 2.488 382 V HA 0.270 4.389 4.120 -0.002 0.000 0.293 382 V C 0.783 176.889 176.094 0.021 0.000 1.027 382 V CA -0.682 61.677 62.300 0.099 0.000 0.862 382 V CB 1.765 33.658 31.823 0.116 0.000 1.008 382 V HN 0.143 nan 8.190 nan 0.000 0.428 383 R N 2.370 122.886 120.500 0.027 0.000 2.070 383 R HA -0.028 4.311 4.340 -0.002 0.000 0.233 383 R C -0.091 176.165 176.300 -0.074 0.000 1.137 383 R CA 1.477 57.563 56.100 -0.024 0.000 0.945 383 R CB 0.358 30.659 30.300 0.001 0.000 0.845 383 R HN 0.731 nan 8.270 nan 0.000 0.430 384 D N -0.019 120.357 120.400 -0.040 0.000 2.505 384 D HA 0.209 4.848 4.640 -0.002 0.000 0.250 384 D C -0.952 175.328 176.300 -0.033 0.000 1.164 384 D CA -0.050 53.902 54.000 -0.081 0.000 0.870 384 D CB 2.137 42.910 40.800 -0.045 0.000 1.160 384 D HN 0.103 nan 8.370 nan 0.000 0.549 385 T N 0.755 115.231 114.554 -0.129 0.000 2.681 385 T HA 0.612 4.961 4.350 -0.002 0.000 0.296 385 T C -1.807 172.765 174.700 -0.214 0.000 1.157 385 T CA -0.517 61.584 62.100 0.002 0.000 1.025 385 T CB 0.839 69.758 68.868 0.084 0.000 1.441 385 T HN 0.276 nan 8.240 nan 0.000 0.504 386 W N 1.309 122.634 121.300 0.041 0.000 2.785 386 W HA 0.682 5.341 4.660 -0.002 0.000 0.333 386 W C -0.652 175.891 176.519 0.040 0.000 1.062 386 W CA -0.581 56.786 57.345 0.036 0.000 1.233 386 W CB 1.697 31.183 29.460 0.043 0.000 1.413 386 W HN 0.549 nan 8.180 nan 0.000 0.489 387 V N 0.188 120.228 119.914 0.210 0.000 3.040 387 V HA 0.755 4.874 4.120 -0.002 0.000 0.312 387 V C -2.808 173.370 176.094 0.140 0.000 1.115 387 V CA -3.548 58.837 62.300 0.142 0.000 0.998 387 V CB 1.783 33.650 31.823 0.073 0.000 1.042 387 V HN 0.282 nan 8.190 nan 0.000 0.433 388 P HA 0.165 nan 4.420 nan 0.000 0.266 388 P C 0.159 177.502 177.300 0.071 0.000 1.195 388 P CA 0.267 63.418 63.100 0.085 0.000 0.768 388 P CB 0.484 32.221 31.700 0.061 0.000 0.838 389 D N 1.705 122.146 120.400 0.069 0.000 2.228 389 D HA -0.183 4.456 4.640 -0.002 0.000 0.203 389 D C 0.750 177.073 176.300 0.038 0.000 0.988 389 D CA 1.308 55.340 54.000 0.054 0.000 0.864 389 D CB -0.168 40.663 40.800 0.052 0.000 0.928 389 D HN 0.436 nan 8.370 nan 0.000 0.469 390 D N -0.547 119.874 120.400 0.036 0.000 2.358 390 D HA -0.007 4.632 4.640 -0.002 0.000 0.224 390 D C 0.928 177.245 176.300 0.028 0.000 1.123 390 D CA -0.529 53.488 54.000 0.027 0.000 0.833 390 D CB -0.904 39.910 40.800 0.023 0.000 0.946 390 D HN 0.272 nan 8.370 nan 0.000 0.505 391 I N 1.520 122.110 120.570 0.033 0.000 2.775 391 I HA 0.017 4.186 4.170 -0.002 0.000 0.290 391 I C 0.227 176.360 176.117 0.026 0.000 1.203 391 I CA 0.130 61.449 61.300 0.032 0.000 1.433 391 I CB 0.172 38.194 38.000 0.037 0.000 1.354 391 I HN 0.103 nan 8.210 nan 0.000 0.579 392 R N 5.857 126.372 120.500 0.025 0.000 2.739 392 R HA 0.626 4.965 4.340 -0.002 0.000 0.271 392 R C -2.988 173.325 176.300 0.020 0.000 1.010 392 R CA -1.918 54.195 56.100 0.020 0.000 0.897 392 R CB 0.695 31.006 30.300 0.018 0.000 1.236 392 R HN 0.192 nan 8.270 nan 0.000 0.466 393 P HA -0.000 nan 4.420 nan 0.000 0.263 393 P C 0.592 177.903 177.300 0.019 0.000 1.175 393 P CA 2.010 65.120 63.100 0.016 0.000 0.761 393 P CB 0.690 32.397 31.700 0.012 0.000 0.794 394 G N 1.969 110.782 108.800 0.023 0.000 2.299 394 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.237 394 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.237 394 G C 0.101 175.019 174.900 0.030 0.000 1.027 394 G CA -0.165 44.950 45.100 0.025 0.000 0.619 394 G HN 0.518 nan 8.290 nan 0.000 0.513 395 D N 1.016 121.435 120.400 0.031 0.000 2.423 395 D HA 0.454 5.093 4.640 -0.002 0.000 0.238 395 D C 0.986 177.316 176.300 0.049 0.000 1.142 395 D CA 0.299 54.321 54.000 0.036 0.000 0.884 395 D CB 0.648 41.470 40.800 0.036 0.000 1.199 395 D HN 0.406 nan 8.370 nan 0.000 0.438 396 L N 1.525 122.780 121.223 0.053 0.000 2.309 396 L HA 0.490 4.829 4.340 -0.002 0.000 0.282 396 L C 0.173 177.093 176.870 0.083 0.000 1.036 396 L CA -1.012 53.871 54.840 0.071 0.000 0.806 396 L CB 1.421 43.516 42.059 0.061 0.000 1.220 396 L HN 0.125 nan 8.230 nan 0.000 0.429 397 V N -0.043 119.944 119.914 0.122 0.000 2.864 397 V HA 0.996 5.115 4.120 -0.002 0.000 0.314 397 V C -0.378 175.831 176.094 0.192 0.000 1.073 397 V CA -0.627 61.762 62.300 0.149 0.000 0.956 397 V CB 1.783 33.696 31.823 0.151 0.000 1.023 397 V HN 0.840 nan 8.190 nan 0.000 0.435 398 A N 2.661 125.621 122.820 0.233 0.000 2.371 398 A HA 0.858 5.177 4.320 -0.002 0.000 0.311 398 A C -0.810 176.968 177.584 0.324 0.000 1.068 398 A CA -0.695 51.500 52.037 0.263 0.000 0.744 398 A CB 1.866 21.082 19.000 0.359 0.000 1.239 398 A HN 1.298 nan 8.150 nan 0.000 0.435 399 V N 2.141 122.133 119.914 0.130 0.000 2.394 399 V HA 0.602 4.721 4.120 -0.002 0.000 0.282 399 V C 0.828 176.825 176.094 -0.160 0.000 1.031 399 V CA -0.170 62.148 62.300 0.031 0.000 0.881 399 V CB 1.110 32.912 31.823 -0.034 0.000 0.982 399 V HN 1.180 nan 8.190 nan 0.000 0.451 400 A N 4.097 126.722 122.820 -0.325 0.000 2.304 400 A HA 0.739 5.058 4.320 -0.002 0.000 0.271 400 A C 1.074 178.574 177.584 -0.140 0.000 1.091 400 A CA 0.150 51.794 52.037 -0.656 0.000 0.812 400 A CB 0.370 18.510 19.000 -1.434 0.000 1.056 400 A HN 2.356 nan 8.150 nan 0.000 0.489 401 A N 0.314 123.038 122.820 -0.160 0.000 2.791 401 A HA -0.112 4.207 4.320 -0.002 0.000 0.292 401 A C 0.948 178.699 177.584 0.278 0.000 1.487 401 A CA 1.552 53.602 52.037 0.023 0.000 0.760 401 A CB -2.491 16.454 19.000 -0.090 0.000 1.031 401 A HN 2.290 nan 8.150 nan 0.000 0.503 402 T N -3.582 111.079 114.554 0.178 0.000 3.206 402 T HA 0.423 4.772 4.350 -0.002 0.000 0.253 402 T C 1.467 176.325 174.700 0.263 0.000 1.042 402 T CA 1.124 63.377 62.100 0.255 0.000 0.931 402 T CB 0.350 69.272 68.868 0.090 0.000 1.029 402 T HN 1.401 nan 8.240 nan 0.000 0.564 403 G N 0.804 109.702 108.800 0.164 0.000 2.650 403 G HA2 0.445 4.404 3.960 -0.002 0.000 0.214 403 G HA3 0.445 4.404 3.960 -0.002 0.000 0.214 403 G C 0.480 175.410 174.900 0.052 0.000 1.136 403 G CA 0.133 45.266 45.100 0.056 0.000 0.789 403 G HN 0.844 nan 8.290 nan 0.000 0.536 404 A N -0.855 122.055 122.820 0.150 0.000 2.343 404 A HA 0.624 4.943 4.320 -0.002 0.000 0.308 404 A C -0.069 177.635 177.584 0.199 0.000 1.092 404 A CA -0.812 51.257 52.037 0.053 0.000 0.751 404 A CB 0.650 19.682 19.000 0.054 0.000 1.203 404 A HN 0.675 nan 8.150 nan 0.000 0.452 405 Y N -0.237 120.200 120.300 0.229 0.000 4.409 405 Y HA -0.325 4.224 4.550 -0.001 0.000 0.228 405 Y C 1.381 177.423 175.900 0.238 0.000 1.108 405 Y CA 0.613 58.844 58.100 0.219 0.000 1.955 405 Y CB -2.609 35.973 38.460 0.202 0.000 1.615 405 Y HN 0.639 nan 8.280 nan 0.000 0.665 406 C N -2.864 116.626 119.300 0.316 0.000 2.426 406 C HA 0.041 4.500 4.460 -0.002 0.000 0.318 406 C C 2.448 177.577 174.990 0.231 0.000 1.451 406 C CA 0.660 59.875 59.018 0.329 0.000 2.090 406 C CB -1.001 26.997 27.740 0.431 0.000 2.151 406 C HN 0.639 nan 8.230 nan 0.000 0.608 407 Y N 1.719 121.965 120.300 -0.091 0.000 2.181 407 Y HA -0.187 4.362 4.550 -0.002 0.000 0.288 407 Y C 2.742 178.649 175.900 0.011 0.000 1.146 407 Y CA 1.995 59.949 58.100 -0.244 0.000 1.164 407 Y CB -0.419 37.599 38.460 -0.738 0.000 0.982 407 Y HN 0.235 nan 8.280 nan 0.000 0.515 408 S N 0.049 115.897 115.700 0.247 0.000 2.392 408 S HA -0.222 4.247 4.470 -0.002 0.000 0.232 408 S C 1.635 176.294 174.600 0.099 0.000 1.041 408 S CA 1.847 60.169 58.200 0.203 0.000 1.026 408 S CB -0.470 62.862 63.200 0.221 0.000 0.845 408 S HN 0.475 nan 8.310 nan 0.000 0.465 409 L N 1.367 122.652 121.223 0.104 0.000 2.667 409 L HA 0.196 4.535 4.340 -0.002 0.000 0.232 409 L C 0.739 177.615 176.870 0.008 0.000 1.138 409 L CA -0.336 54.552 54.840 0.080 0.000 0.921 409 L CB 0.025 42.172 42.059 0.146 0.000 1.180 409 L HN 0.201 nan 8.230 nan 0.000 0.487 410 S N -0.085 115.573 115.700 -0.071 0.000 2.563 410 S HA 0.275 4.744 4.470 -0.002 0.000 0.284 410 S C 0.302 174.857 174.600 -0.075 0.000 1.331 410 S CA -0.366 57.775 58.200 -0.098 0.000 1.047 410 S CB 1.094 64.129 63.200 -0.274 0.000 0.859 410 S HN 0.296 nan 8.310 nan 0.000 0.514 411 S N 1.703 117.391 115.700 -0.021 0.000 2.704 411 S HA 0.575 5.043 4.470 -0.002 0.000 0.296 411 S C -0.334 174.300 174.600 0.058 0.000 1.138 411 S CA -1.316 56.886 58.200 0.003 0.000 0.875 411 S CB 1.294 64.488 63.200 -0.010 0.000 1.151 411 S HN 0.755 nan 8.310 nan 0.000 0.500 412 R N 0.170 120.717 120.500 0.079 0.000 2.831 412 R HA 0.222 4.561 4.340 -0.002 0.000 0.337 412 R C -0.669 175.744 176.300 0.189 0.000 1.200 412 R CA -0.326 55.844 56.100 0.116 0.000 1.088 412 R CB -0.285 30.061 30.300 0.077 0.000 1.397 412 R HN 0.672 nan 8.270 nan 0.000 0.581 413 Y N 1.716 122.038 120.300 0.037 0.000 2.712 413 Y HA -0.213 4.335 4.550 -0.002 0.000 0.333 413 Y C 0.360 176.368 175.900 0.180 0.000 1.225 413 Y CA 0.637 58.753 58.100 0.027 0.000 1.499 413 Y CB 0.275 38.640 38.460 -0.158 0.000 1.288 413 Y HN 0.483 nan 8.280 nan 0.000 0.575 414 N N 4.624 123.232 118.700 -0.153 0.000 2.708 414 N HA -0.268 4.471 4.740 -0.002 0.000 0.249 414 N C -0.570 174.931 175.510 -0.016 0.000 1.097 414 N CA 0.601 53.569 53.050 -0.136 0.000 0.710 414 N CB -0.598 37.781 38.487 -0.180 0.000 1.032 414 N HN 0.665 nan 8.380 nan 0.000 0.551 415 M N -2.676 116.948 119.600 0.040 0.000 2.393 415 M HA -0.188 4.291 4.480 -0.002 0.000 0.201 415 M C -0.906 175.421 176.300 0.045 0.000 0.403 415 M CA 0.748 56.072 55.300 0.041 0.000 0.471 415 M CB -2.329 30.281 32.600 0.017 0.000 1.669 415 M HN 0.101 nan 8.290 nan 0.000 0.864 416 V N 0.329 120.295 119.914 0.087 0.000 2.333 416 V HA 0.601 4.720 4.120 -0.002 0.000 0.274 416 V C 1.425 177.583 176.094 0.106 0.000 1.028 416 V CA -0.324 62.027 62.300 0.086 0.000 0.851 416 V CB 1.327 33.216 31.823 0.109 0.000 1.000 416 V HN 0.619 nan 8.190 nan 0.000 0.456 417 G N 4.606 113.455 108.800 0.082 0.000 2.544 417 G HA2 0.275 4.234 3.960 -0.002 0.000 0.242 417 G HA3 0.275 4.234 3.960 -0.002 0.000 0.242 417 G C 0.106 175.070 174.900 0.106 0.000 1.247 417 G CA -0.540 44.610 45.100 0.083 0.000 0.840 417 G HN 0.702 nan 8.290 nan 0.000 0.578 418 R N 1.783 122.340 120.500 0.095 0.000 2.583 418 R HA 0.064 4.402 4.340 -0.002 0.000 0.274 418 R C -1.947 174.480 176.300 0.212 0.000 0.998 418 R CA -0.618 55.554 56.100 0.120 0.000 1.081 418 R CB 0.266 30.597 30.300 0.051 0.000 0.940 418 R HN 0.365 nan 8.270 nan 0.000 0.413 419 P HA 0.061 nan 4.420 nan 0.000 0.274 419 P C -0.876 176.628 177.300 0.340 0.000 1.246 419 P CA -0.349 62.931 63.100 0.302 0.000 0.795 419 P CB 0.640 32.519 31.700 0.297 0.000 1.006 420 A N 1.406 124.363 122.820 0.228 0.000 2.483 420 A HA 0.365 4.683 4.320 -0.002 0.000 0.238 420 A C -0.181 177.493 177.584 0.151 0.000 1.070 420 A CA 0.044 52.178 52.037 0.160 0.000 0.770 420 A CB -0.289 18.785 19.000 0.124 0.000 1.008 420 A HN 0.360 nan 8.150 nan 0.000 0.497 421 V N 2.846 122.777 119.914 0.028 0.000 2.531 421 V HA 0.483 4.602 4.120 -0.002 0.000 0.301 421 V C -0.350 175.680 176.094 -0.106 0.000 1.034 421 V CA -0.459 61.819 62.300 -0.037 0.000 0.865 421 V CB 1.482 33.174 31.823 -0.218 0.000 0.995 421 V HN 0.693 nan 8.190 nan 0.000 0.424 422 V N 3.229 123.067 119.914 -0.126 0.000 2.769 422 V HA 0.887 5.006 4.120 -0.002 0.000 0.312 422 V C 0.135 176.190 176.094 -0.065 0.000 1.061 422 V CA -0.539 61.638 62.300 -0.205 0.000 0.931 422 V CB 2.178 33.733 31.823 -0.447 0.000 1.010 422 V HN 1.004 nan 8.190 nan 0.000 0.433 423 A N 3.577 126.390 122.820 -0.012 0.000 2.318 423 A HA 0.887 5.206 4.320 -0.002 0.000 0.324 423 A C -0.701 176.932 177.584 0.083 0.000 1.170 423 A CA -0.554 51.551 52.037 0.113 0.000 0.810 423 A CB 1.541 20.702 19.000 0.267 0.000 1.198 423 A HN 1.327 nan 8.150 nan 0.000 0.484 424 V N 0.661 120.631 119.914 0.093 0.000 2.604 424 V HA 0.802 4.921 4.120 -0.002 0.000 0.305 424 V C -0.662 175.499 176.094 0.111 0.000 1.043 424 V CA -0.541 61.812 62.300 0.088 0.000 0.888 424 V CB 1.672 33.533 31.823 0.064 0.000 0.995 424 V HN 1.030 nan 8.190 nan 0.000 0.429 425 H N 3.867 122.931 119.070 -0.009 0.000 3.149 425 H HA 0.560 5.115 4.556 -0.002 0.000 0.334 425 H C 0.214 175.530 175.328 -0.019 0.000 1.000 425 H CA 0.212 56.237 56.048 -0.038 0.000 1.415 425 H CB 1.544 31.260 29.762 -0.076 0.000 1.819 425 H HN 1.886 nan 8.280 nan 0.000 0.486 426 A N 3.062 125.890 122.820 0.014 0.000 2.791 426 A HA -0.105 4.214 4.320 -0.002 0.000 0.292 426 A C 1.689 179.320 177.584 0.078 0.000 1.487 426 A CA 1.889 53.965 52.037 0.065 0.000 0.760 426 A CB -2.142 16.976 19.000 0.195 0.000 1.031 426 A HN 2.152 nan 8.150 nan 0.000 0.503 427 G N -2.069 106.766 108.800 0.059 0.000 2.176 427 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.253 427 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.253 427 G C -0.192 174.750 174.900 0.071 0.000 0.979 427 G CA 0.424 45.557 45.100 0.056 0.000 0.641 427 G HN 1.244 nan 8.290 nan 0.000 0.530 428 N N 0.460 119.214 118.700 0.090 0.000 2.284 428 N HA 0.677 5.416 4.740 -0.002 0.000 0.300 428 N C -0.228 175.342 175.510 0.101 0.000 1.047 428 N CA 0.354 53.458 53.050 0.090 0.000 0.821 428 N CB 2.011 40.542 38.487 0.073 0.000 1.337 428 N HN 0.596 nan 8.380 nan 0.000 0.482 429 A N 2.006 124.895 122.820 0.116 0.000 2.350 429 A HA 0.772 5.091 4.320 -0.002 0.000 0.324 429 A C -0.361 177.294 177.584 0.118 0.000 1.118 429 A CA -0.734 51.371 52.037 0.112 0.000 0.783 429 A CB 1.189 20.298 19.000 0.181 0.000 1.236 429 A HN 0.800 nan 8.150 nan 0.000 0.457 430 R N 1.618 122.142 120.500 0.039 0.000 2.626 430 R HA 0.617 4.956 4.340 -0.002 0.000 0.274 430 R C -1.784 174.476 176.300 -0.067 0.000 1.031 430 R CA -0.859 55.269 56.100 0.048 0.000 0.898 430 R CB 1.094 31.429 30.300 0.059 0.000 1.222 430 R HN 0.525 nan 8.270 nan 0.000 0.455 431 L N 3.178 124.379 121.223 -0.037 0.000 2.410 431 L HA 0.111 4.450 4.340 -0.002 0.000 0.273 431 L C 0.139 176.985 176.870 -0.040 0.000 1.144 431 L CA 0.418 55.206 54.840 -0.087 0.000 0.863 431 L CB 1.531 43.630 42.059 0.066 0.000 1.140 431 L HN 0.742 nan 8.230 nan 0.000 0.463 432 V N 5.133 125.004 119.914 -0.070 0.000 2.806 432 V HA 0.198 4.317 4.120 -0.002 0.000 0.239 432 V C 0.470 176.520 176.094 -0.073 0.000 1.113 432 V CA 0.323 62.581 62.300 -0.070 0.000 1.137 432 V CB 0.090 31.853 31.823 -0.100 0.000 0.865 432 V HN 0.557 nan 8.190 nan 0.000 0.482 433 L N 1.851 123.029 121.223 -0.075 0.000 2.349 433 L HA 0.525 4.864 4.340 -0.002 0.000 0.278 433 L C -0.033 176.846 176.870 0.015 0.000 0.996 433 L CA -0.637 54.175 54.840 -0.047 0.000 0.825 433 L CB 1.808 43.797 42.059 -0.117 0.000 1.243 433 L HN 0.338 nan 8.230 nan 0.000 0.412 434 R N 2.259 122.788 120.500 0.048 0.000 2.615 434 R HA 0.448 4.787 4.340 -0.002 0.000 0.270 434 R C -0.036 176.331 176.300 0.112 0.000 1.081 434 R CA -0.776 55.372 56.100 0.079 0.000 1.154 434 R CB 0.937 31.280 30.300 0.073 0.000 1.063 434 R HN 0.599 nan 8.270 nan 0.000 0.519 435 R N 1.569 122.141 120.500 0.121 0.000 2.543 435 R HA 0.042 4.381 4.340 -0.002 0.000 0.277 435 R C -0.730 175.635 176.300 0.108 0.000 1.074 435 R CA -0.225 55.955 56.100 0.134 0.000 1.076 435 R CB 0.710 31.089 30.300 0.130 0.000 0.993 435 R HN 0.718 nan 8.270 nan 0.000 0.459 436 E N 1.528 121.793 120.200 0.108 0.000 2.398 436 E HA 0.014 4.363 4.350 -0.002 0.000 0.263 436 E C -0.128 176.512 176.600 0.068 0.000 1.046 436 E CA 0.422 56.871 56.400 0.081 0.000 0.908 436 E CB 1.006 30.751 29.700 0.076 0.000 0.963 436 E HN 0.755 nan 8.360 nan 0.000 0.431 437 T N -1.995 112.591 114.554 0.054 0.000 2.919 437 T HA 0.214 4.563 4.350 -0.002 0.000 0.282 437 T C 1.168 175.890 174.700 0.037 0.000 1.020 437 T CA -0.896 61.230 62.100 0.044 0.000 0.994 437 T CB 0.974 69.865 68.868 0.039 0.000 1.180 437 T HN 0.149 nan 8.240 nan 0.000 0.566 438 V N 1.182 121.114 119.914 0.030 0.000 2.392 438 V HA -0.157 3.962 4.120 -0.002 0.000 0.249 438 V C 2.460 178.567 176.094 0.023 0.000 1.059 438 V CA 2.180 64.495 62.300 0.025 0.000 1.051 438 V CB -0.877 30.958 31.823 0.020 0.000 0.658 438 V HN 0.857 nan 8.190 nan 0.000 0.455 439 D N -0.001 120.412 120.400 0.023 0.000 2.123 439 D HA -0.164 4.475 4.640 -0.002 0.000 0.196 439 D C 1.939 178.252 176.300 0.022 0.000 0.992 439 D CA 1.450 55.462 54.000 0.020 0.000 0.833 439 D CB -0.364 40.448 40.800 0.020 0.000 0.954 439 D HN 0.458 nan 8.370 nan 0.000 0.455 440 D N 0.327 120.743 120.400 0.026 0.000 2.116 440 D HA -0.152 4.487 4.640 -0.002 0.000 0.193 440 D C 2.199 178.514 176.300 0.025 0.000 0.998 440 D CA 0.509 54.526 54.000 0.027 0.000 0.836 440 D CB -0.251 40.570 40.800 0.035 0.000 0.951 440 D HN 0.135 nan 8.370 nan 0.000 0.449 441 L N 0.411 121.650 121.223 0.028 0.000 2.079 441 L HA -0.107 4.232 4.340 -0.002 0.000 0.210 441 L C 2.400 179.283 176.870 0.022 0.000 1.081 441 L CA 1.158 56.014 54.840 0.027 0.000 0.752 441 L CB -0.853 41.223 42.059 0.028 0.000 0.896 441 L HN 0.074 nan 8.230 nan 0.000 0.433 442 L N -1.052 120.183 121.223 0.019 0.000 2.599 442 L HA -0.013 4.325 4.340 -0.002 0.000 0.230 442 L C 2.279 179.157 176.870 0.013 0.000 1.141 442 L CA 0.554 55.403 54.840 0.015 0.000 0.877 442 L CB -0.419 41.648 42.059 0.014 0.000 1.009 442 L HN 0.316 nan 8.230 nan 0.000 0.447 443 S N -0.209 115.500 115.700 0.014 0.000 2.447 443 S HA -0.061 4.408 4.470 -0.002 0.000 0.233 443 S C 1.655 176.260 174.600 0.009 0.000 1.006 443 S CA 0.615 58.821 58.200 0.011 0.000 0.957 443 S CB -0.314 62.893 63.200 0.012 0.000 0.773 443 S HN 0.462 nan 8.310 nan 0.000 0.507 444 L N 0.771 121.999 121.223 0.009 0.000 2.591 444 L HA 0.267 4.606 4.340 -0.002 0.000 0.228 444 L C 0.576 177.450 176.870 0.007 0.000 1.133 444 L CA 0.161 55.005 54.840 0.007 0.000 0.880 444 L CB -0.363 41.700 42.059 0.008 0.000 1.033 444 L HN 0.293 nan 8.230 nan 0.000 0.450 445 E N 0.489 120.694 120.200 0.008 0.000 2.344 445 E HA 0.145 4.494 4.350 -0.002 0.000 0.270 445 E C 0.180 176.784 176.600 0.006 0.000 1.021 445 E CA -0.385 56.019 56.400 0.007 0.000 0.887 445 E CB 1.972 31.677 29.700 0.008 0.000 0.997 445 E HN -0.037 nan 8.360 nan 0.000 0.429 446 V N 3.851 123.768 119.914 0.005 0.000 5.419 446 V HA 0.223 4.342 4.120 -0.002 0.000 0.270 446 V C 0.294 176.391 176.094 0.004 0.000 1.335 446 V CA 0.228 62.531 62.300 0.004 0.000 0.646 446 V CB 0.228 32.053 31.823 0.004 0.000 1.265 446 V HN 0.729 nan 8.190 nan 0.000 0.359 447 R N 0.000 120.502 120.500 0.004 0.000 2.786 447 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 447 R CA 0.000 56.102 56.100 0.004 0.000 0.921 447 R CB 0.000 30.302 30.300 0.004 0.000 0.687 447 R HN 0.000 nan 8.270 nan 0.000 0.535