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 1aip_1_A DATA FIRST_RESID 9 DATA SEQUENCE KPHVNVGTIG HVDHGKTTLT AALTYVTAAE NPXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXTAHV EYETAKRHYS HVDCPGHADY IKNMITGAAQ MDGAILVVSA DATA SEQUENCE ADGPMPQTRE HILLARQVGV PYIVVFMNKV DMVDDPELLD LVEMEVRDLL DATA SEQUENCE NQYEFPGDEV PVIRGSALLA LEQMHRNPKT RRGENEWVDK IWELLDAIDE DATA SEQUENCE YIPTPVRDVD KPFLMPVEDV FTITGRGTVA TGRIERGKVK VGDEVEIVGL DATA SEQUENCE APETRRTVVT GVEMHRKTLQ EGIAGDNVGV LLRGVSREEV ERGQVLAKPG DATA SEQUENCE SITPHTKFEA SVYVLKKEEG GRHTGFFSGY RPQFYFRTTD VTGVVQLPPG DATA SEQUENCE VEMVMPGDNV TFTVELIKPV ALEEGLRFAI REGGRTVGAG VVTKILE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.602 176.600 0.003 0.000 0.988 9 K CA 0.000 56.293 56.287 0.010 0.000 0.838 9 K CB 0.000 32.515 32.500 0.025 0.000 1.064 10 P HA -0.095 nan 4.420 nan 0.000 0.267 10 P C -1.165 176.119 177.300 -0.027 0.000 1.175 10 P CA 0.229 63.321 63.100 -0.013 0.000 0.763 10 P CB 0.239 31.921 31.700 -0.029 0.000 0.795 11 H N 1.160 120.174 119.070 -0.092 0.000 2.572 11 H HA 0.601 5.157 4.556 -0.000 0.000 0.359 11 H C -1.392 173.882 175.328 -0.090 0.000 1.134 11 H CA -0.626 55.363 56.048 -0.098 0.000 1.187 11 H CB 1.464 31.175 29.762 -0.086 0.000 1.597 11 H HN 0.083 nan 8.280 nan 0.000 0.524 12 V N 4.171 123.902 119.914 -0.305 0.000 2.971 12 V HA 0.219 4.339 4.120 -0.000 0.000 0.309 12 V C -0.725 175.398 176.094 0.048 0.000 1.130 12 V CA -0.986 61.304 62.300 -0.018 0.000 0.964 12 V CB 2.363 34.194 31.823 0.012 0.000 1.029 12 V HN 0.784 nan 8.190 nan 0.000 0.427 13 N N 1.512 120.295 118.700 0.138 0.000 2.408 13 N HA 0.701 5.441 4.740 -0.000 0.000 0.280 13 N C -0.808 174.744 175.510 0.069 0.000 1.002 13 N CA -0.449 52.667 53.050 0.109 0.000 0.907 13 N CB 2.083 40.627 38.487 0.095 0.000 1.161 13 N HN 0.646 nan 8.380 nan 0.000 0.488 14 V N -1.086 118.828 119.914 0.001 0.000 3.040 14 V HA 1.024 5.144 4.120 -0.000 0.000 0.312 14 V C 0.201 176.104 176.094 -0.318 0.000 1.115 14 V CA -0.795 61.449 62.300 -0.092 0.000 0.998 14 V CB 1.590 33.377 31.823 -0.060 0.000 1.042 14 V HN 0.598 nan 8.190 nan 0.000 0.433 15 G N 0.768 109.379 108.800 -0.315 0.000 2.642 15 G HA2 0.759 4.719 3.960 -0.000 0.000 0.293 15 G HA3 0.759 4.719 3.960 -0.000 0.000 0.293 15 G C -0.647 174.071 174.900 -0.303 0.000 1.341 15 G CA -0.201 44.664 45.100 -0.392 0.000 0.916 15 G HN 1.328 nan 8.290 nan 0.000 0.474 16 T N -0.537 113.889 114.554 -0.213 0.000 2.807 16 T HA 0.663 5.013 4.350 -0.000 0.000 0.279 16 T C -0.133 174.480 174.700 -0.144 0.000 0.993 16 T CA -0.683 61.361 62.100 -0.093 0.000 0.970 16 T CB 1.543 70.444 68.868 0.056 0.000 0.950 16 T HN 1.006 nan 8.240 nan 0.000 0.441 17 I N -0.858 119.604 120.570 -0.181 0.000 2.647 17 I HA 0.974 5.144 4.170 -0.000 0.000 0.295 17 I C -0.056 175.842 176.117 -0.366 0.000 1.078 17 I CA -0.755 60.364 61.300 -0.302 0.000 1.048 17 I CB 1.249 39.050 38.000 -0.330 0.000 1.239 17 I HN 1.186 nan 8.210 nan 0.000 0.421 18 G N 3.364 111.783 108.800 -0.635 0.000 2.361 18 G HA2 0.047 4.007 3.960 -0.000 0.000 0.305 18 G HA3 0.047 4.007 3.960 -0.000 0.000 0.305 18 G C -1.543 173.237 174.900 -0.201 0.000 1.367 18 G CA -0.936 43.889 45.100 -0.457 0.000 0.951 18 G HN 1.121 nan 8.290 nan 0.000 0.615 19 H N 0.441 119.466 119.070 -0.075 0.000 2.964 19 H HA 0.216 4.772 4.556 -0.000 0.000 0.328 19 H C 1.970 177.233 175.328 -0.109 0.000 1.030 19 H CA 0.983 56.944 56.048 -0.146 0.000 1.445 19 H CB 1.375 30.826 29.762 -0.519 0.000 1.449 19 H HN 0.366 nan 8.280 nan 0.000 0.581 20 V N 3.734 123.645 119.914 -0.004 0.000 2.490 20 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 20 V C 1.501 177.709 176.094 0.191 0.000 1.061 20 V CA 1.732 64.074 62.300 0.070 0.000 1.064 20 V CB -0.202 31.613 31.823 -0.013 0.000 0.670 20 V HN 0.664 nan 8.190 nan 0.000 0.461 21 D N -0.933 119.704 120.400 0.396 0.000 2.352 21 D HA -0.019 4.621 4.640 -0.000 0.000 0.232 21 D C 1.584 178.041 176.300 0.262 0.000 1.055 21 D CA 0.683 54.825 54.000 0.236 0.000 0.891 21 D CB -0.275 40.624 40.800 0.164 0.000 0.897 21 D HN 0.634 nan 8.370 nan 0.000 0.529 22 H N -1.077 118.051 119.070 0.097 0.000 2.586 22 H HA 0.225 4.781 4.556 -0.000 0.000 0.273 22 H C 1.179 176.529 175.328 0.037 0.000 0.997 22 H CA 0.130 56.201 56.048 0.038 0.000 1.177 22 H CB 1.041 30.839 29.762 0.061 0.000 1.471 22 H HN 0.170 nan 8.280 nan 0.000 0.538 23 G N 2.309 111.197 108.800 0.147 0.000 2.131 23 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.223 23 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.223 23 G C 1.340 176.254 174.900 0.022 0.000 0.990 23 G CA 0.500 45.634 45.100 0.058 0.000 0.671 23 G HN 0.518 nan 8.290 nan 0.000 0.521 24 K N -0.572 119.851 120.400 0.039 0.000 2.103 24 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 24 K C 2.018 178.592 176.600 -0.043 0.000 1.048 24 K CA 1.960 58.246 56.287 -0.003 0.000 0.930 24 K CB -0.697 31.801 32.500 -0.002 0.000 0.716 24 K HN 0.274 nan 8.250 nan 0.000 0.444 25 T N 1.359 115.892 114.554 -0.036 0.000 2.708 25 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 25 T C 1.944 176.579 174.700 -0.108 0.000 1.037 25 T CA 2.075 64.140 62.100 -0.057 0.000 1.146 25 T CB -0.512 68.334 68.868 -0.038 0.000 0.865 25 T HN 0.404 nan 8.240 nan 0.000 0.435 26 T N 2.588 117.081 114.554 -0.103 0.000 2.708 26 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 26 T C 1.931 176.500 174.700 -0.219 0.000 1.037 26 T CA 1.043 63.055 62.100 -0.147 0.000 1.146 26 T CB -0.557 68.244 68.868 -0.112 0.000 0.865 26 T HN 0.142 nan 8.240 nan 0.000 0.435 27 L N 1.227 122.319 121.223 -0.219 0.000 2.012 27 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 27 L C 2.447 179.084 176.870 -0.388 0.000 1.073 27 L CA 1.953 56.588 54.840 -0.341 0.000 0.748 27 L CB -1.396 40.440 42.059 -0.372 0.000 0.891 27 L HN 0.184 nan 8.230 nan 0.000 0.431 28 T N 0.113 114.469 114.554 -0.329 0.000 2.635 28 T HA -0.273 4.077 4.350 -0.000 0.000 0.267 28 T C 1.908 176.358 174.700 -0.417 0.000 1.040 28 T CA 1.860 63.698 62.100 -0.437 0.000 1.156 28 T CB -0.727 67.943 68.868 -0.330 0.000 0.863 28 T HN 0.599 nan 8.240 nan 0.000 0.430 29 A N 1.424 124.039 122.820 -0.342 0.000 1.883 29 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 29 A C 2.662 179.967 177.584 -0.465 0.000 1.186 29 A CA 2.156 53.959 52.037 -0.390 0.000 0.624 29 A CB -1.215 17.553 19.000 -0.385 0.000 0.822 29 A HN 0.548 nan 8.150 nan 0.000 0.444 30 A N -0.483 122.079 122.820 -0.431 0.000 1.940 30 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 30 A C 2.157 179.485 177.584 -0.427 0.000 1.176 30 A CA 1.586 53.380 52.037 -0.404 0.000 0.631 30 A CB -0.601 18.177 19.000 -0.370 0.000 0.814 30 A HN 0.487 nan 8.150 nan 0.000 0.446 31 L N -0.480 120.419 121.223 -0.539 0.000 2.083 31 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 31 L C 2.813 179.304 176.870 -0.631 0.000 1.083 31 L CA 1.765 56.171 54.840 -0.723 0.000 0.752 31 L CB -0.796 40.651 42.059 -1.020 0.000 0.899 31 L HN 0.424 nan 8.230 nan 0.000 0.433 32 T N -1.966 112.349 114.554 -0.397 0.000 2.737 32 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 32 T C 1.770 176.509 174.700 0.064 0.000 1.038 32 T CA 1.142 63.184 62.100 -0.096 0.000 1.144 32 T CB -0.439 68.466 68.868 0.062 0.000 0.866 32 T HN 0.098 nan 8.240 nan 0.000 0.434 33 Y N 1.222 121.410 120.300 -0.187 0.000 2.274 33 Y HA 0.008 4.558 4.550 -0.000 0.000 0.290 33 Y C 2.634 178.447 175.900 -0.144 0.000 1.145 33 Y CA -0.662 57.359 58.100 -0.131 0.000 1.203 33 Y CB -1.099 37.277 38.460 -0.139 0.000 0.984 33 Y HN 0.033 nan 8.280 nan 0.000 0.533 34 V N -1.351 118.508 119.914 -0.092 0.000 2.427 34 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 34 V C 2.375 178.335 176.094 -0.223 0.000 1.051 34 V CA 2.293 64.464 62.300 -0.215 0.000 1.048 34 V CB -0.701 30.834 31.823 -0.481 0.000 0.666 34 V HN 0.397 nan 8.190 nan 0.000 0.456 35 T N -0.810 113.591 114.554 -0.254 0.000 3.035 35 T HA 0.049 4.399 4.350 -0.000 0.000 0.259 35 T C 1.958 176.712 174.700 0.090 0.000 1.078 35 T CA 1.124 63.175 62.100 -0.081 0.000 1.132 35 T CB -0.112 68.717 68.868 -0.065 0.000 0.900 35 T HN 0.487 nan 8.240 nan 0.000 0.480 36 A N 1.538 124.383 122.820 0.040 0.000 1.915 36 A HA 0.006 4.326 4.320 -0.000 0.000 0.220 36 A C 2.393 180.017 177.584 0.066 0.000 1.198 36 A CA 2.056 54.119 52.037 0.043 0.000 0.647 36 A CB -1.288 17.700 19.000 -0.020 0.000 0.825 36 A HN 0.680 nan 8.150 nan 0.000 0.456 37 A N -1.589 121.283 122.820 0.087 0.000 2.236 37 A HA 0.186 4.506 4.320 -0.000 0.000 0.214 37 A C 1.297 178.970 177.584 0.148 0.000 1.287 37 A CA 1.020 53.119 52.037 0.104 0.000 0.909 37 A CB -0.270 18.795 19.000 0.109 0.000 0.839 37 A HN 0.535 nan 8.150 nan 0.000 0.486 38 E N -1.390 118.915 120.200 0.175 0.000 2.617 38 E HA 0.043 4.393 4.350 -0.000 0.000 0.208 38 E C -0.766 175.915 176.600 0.135 0.000 0.888 38 E CA 0.035 56.536 56.400 0.169 0.000 1.485 38 E CB 0.148 30.017 29.700 0.281 0.000 1.482 38 E HN 0.569 nan 8.360 nan 0.000 0.813 39 N N 2.928 121.710 118.700 0.136 0.000 2.706 39 N HA 0.224 4.964 4.740 -0.000 0.000 0.240 39 N C -2.475 173.085 175.510 0.083 0.000 1.039 39 N CA -1.002 52.115 53.050 0.111 0.000 0.888 39 N CB 1.308 39.875 38.487 0.132 0.000 1.128 39 N HN -0.094 nan 8.380 nan 0.000 0.512 66 A N 3.640 126.521 122.820 0.102 0.000 2.473 66 A HA 0.538 4.858 4.320 -0.000 0.000 0.282 66 A C 0.193 177.867 177.584 0.150 0.000 1.163 66 A CA 0.223 52.313 52.037 0.088 0.000 0.827 66 A CB -0.763 18.264 19.000 0.045 0.000 1.098 66 A HN 0.998 nan 8.150 nan 0.000 0.515 67 H N -0.323 118.786 119.070 0.065 0.000 2.747 67 H HA 0.799 5.355 4.556 -0.000 0.000 0.371 67 H C -0.970 174.416 175.328 0.097 0.000 1.161 67 H CA -1.219 54.886 56.048 0.095 0.000 1.167 67 H CB 1.456 31.276 29.762 0.097 0.000 1.732 67 H HN 0.270 nan 8.280 nan 0.000 0.544 68 V N 1.433 121.455 119.914 0.182 0.000 2.960 68 V HA 0.442 4.562 4.120 -0.000 0.000 0.315 68 V C -0.229 175.987 176.094 0.202 0.000 1.087 68 V CA -0.918 61.450 62.300 0.114 0.000 0.982 68 V CB 1.822 33.694 31.823 0.081 0.000 1.039 68 V HN 0.913 nan 8.190 nan 0.000 0.437 69 E N 0.794 121.083 120.200 0.149 0.000 2.336 69 E HA 0.795 5.145 4.350 -0.000 0.000 0.267 69 E C -1.966 174.664 176.600 0.051 0.000 0.906 69 E CA -0.584 55.844 56.400 0.048 0.000 0.781 69 E CB 2.644 32.424 29.700 0.132 0.000 1.261 69 E HN 0.722 nan 8.360 nan 0.000 0.436 70 Y N -0.973 119.266 120.300 -0.101 0.000 2.620 70 Y HA 0.457 5.007 4.550 0.000 0.000 0.331 70 Y C -1.736 174.083 175.900 -0.135 0.000 1.173 70 Y CA -1.221 56.819 58.100 -0.101 0.000 1.076 70 Y CB 0.775 39.188 38.460 -0.078 0.000 1.336 70 Y HN 0.450 nan 8.280 nan 0.000 0.459 71 E N 0.638 120.904 120.200 0.110 0.000 2.314 71 E HA 0.637 4.987 4.350 -0.000 0.000 0.272 71 E C -0.951 175.797 176.600 0.248 0.000 0.884 71 E CA -0.982 55.476 56.400 0.096 0.000 0.753 71 E CB 2.665 32.323 29.700 -0.070 0.000 1.213 71 E HN 0.836 nan 8.360 nan 0.000 0.432 72 T N -0.465 114.282 114.554 0.321 0.000 2.914 72 T HA 0.532 4.882 4.350 -0.000 0.000 0.313 72 T C 1.272 176.106 174.700 0.223 0.000 1.137 72 T CA -0.054 62.243 62.100 0.328 0.000 0.946 72 T CB 0.709 69.813 68.868 0.392 0.000 1.558 72 T HN 0.594 nan 8.240 nan 0.000 0.565 73 A N 0.508 123.451 122.820 0.206 0.000 1.898 73 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 73 A C 2.403 180.049 177.584 0.103 0.000 1.183 73 A CA 0.808 52.923 52.037 0.131 0.000 0.622 73 A CB -0.692 18.369 19.000 0.100 0.000 0.824 73 A HN 0.756 nan 8.150 nan 0.000 0.444 74 K N -0.273 120.196 120.400 0.115 0.000 1.991 74 K HA -0.015 4.305 4.320 -0.000 0.000 0.207 74 K C 0.601 177.217 176.600 0.027 0.000 1.045 74 K CA 0.902 57.236 56.287 0.077 0.000 0.937 74 K CB -0.103 32.455 32.500 0.097 0.000 0.720 74 K HN 0.453 nan 8.250 nan 0.000 0.438 75 R N -0.318 120.170 120.500 -0.019 0.000 2.930 75 R HA 0.356 4.696 4.340 -0.000 0.000 0.257 75 R C -0.685 175.395 176.300 -0.366 0.000 1.107 75 R CA -0.818 55.146 56.100 -0.227 0.000 0.999 75 R CB 1.175 31.219 30.300 -0.428 0.000 1.209 75 R HN 0.135 nan 8.270 nan 0.000 0.486 76 H N 0.093 118.818 119.070 -0.574 0.000 2.457 76 H HA 0.415 4.971 4.556 0.000 0.000 0.335 76 H C -1.397 173.353 175.328 -0.964 0.000 1.115 76 H CA -0.406 55.328 56.048 -0.524 0.000 1.219 76 H CB 0.764 30.374 29.762 -0.253 0.000 1.471 76 H HN 0.389 nan 8.280 nan 0.000 0.491 77 Y N 1.736 121.590 120.300 -0.743 0.000 2.536 77 Y HA 0.425 4.975 4.550 0.000 0.000 0.347 77 Y C -0.321 175.199 175.900 -0.633 0.000 1.000 77 Y CA -0.920 56.743 58.100 -0.728 0.000 1.051 77 Y CB 2.336 40.295 38.460 -0.834 0.000 1.259 77 Y HN 0.685 nan 8.280 nan 0.000 0.468 78 S N 0.403 116.018 115.700 -0.141 0.000 2.521 78 S HA 0.437 4.907 4.470 -0.000 0.000 0.295 78 S C -1.516 173.154 174.600 0.117 0.000 1.098 78 S CA -0.902 57.340 58.200 0.071 0.000 0.999 78 S CB 1.337 64.667 63.200 0.216 0.000 1.034 78 S HN 0.758 nan 8.310 nan 0.000 0.483 79 H N 1.522 120.643 119.070 0.085 0.000 2.517 79 H HA 0.544 5.100 4.556 -0.000 0.000 0.317 79 H C -0.404 174.993 175.328 0.115 0.000 1.080 79 H CA -0.274 55.836 56.048 0.103 0.000 1.301 79 H CB 1.438 31.281 29.762 0.135 0.000 1.425 79 H HN 0.503 nan 8.280 nan 0.000 0.471 80 V N 3.376 123.239 119.914 -0.085 0.000 3.109 80 V HA 0.173 4.293 4.120 -0.000 0.000 0.317 80 V C 0.011 176.098 176.094 -0.011 0.000 1.074 80 V CA -0.650 61.651 62.300 0.002 0.000 1.033 80 V CB 1.923 33.748 31.823 0.003 0.000 1.111 80 V HN 0.749 nan 8.190 nan 0.000 0.458 81 D N -0.525 119.898 120.400 0.038 0.000 2.934 81 D HA 0.502 5.142 4.640 -0.000 0.000 0.230 81 D C -1.409 174.895 176.300 0.007 0.000 1.204 81 D CA -0.230 53.782 54.000 0.019 0.000 0.873 81 D CB 1.599 42.432 40.800 0.055 0.000 1.645 81 D HN 0.625 nan 8.370 nan 0.000 0.502 82 C N 5.964 125.225 119.300 -0.065 0.000 2.357 82 C HA 0.420 4.880 4.460 -0.000 0.000 0.300 82 C C -1.138 173.816 174.990 -0.059 0.000 1.074 82 C CA -0.888 58.080 59.018 -0.083 0.000 1.566 82 C CB 0.387 27.979 27.740 -0.247 0.000 1.791 82 C HN 0.557 nan 8.230 nan 0.000 0.415 83 P HA 0.175 nan 4.420 nan 0.000 0.228 83 P C 0.580 177.895 177.300 0.025 0.000 1.166 83 P CA 0.896 63.995 63.100 -0.003 0.000 0.812 83 P CB 0.686 32.390 31.700 0.006 0.000 0.857 84 G N -0.879 107.955 108.800 0.057 0.000 2.591 84 G HA2 0.280 4.240 3.960 -0.000 0.000 0.306 84 G HA3 0.280 4.240 3.960 -0.000 0.000 0.306 84 G C -0.020 174.971 174.900 0.152 0.000 1.334 84 G CA -0.168 44.989 45.100 0.094 0.000 0.981 84 G HN -0.024 nan 8.290 nan 0.000 0.491 85 H N 2.314 121.422 119.070 0.063 0.000 2.268 85 H HA -0.015 4.541 4.556 -0.000 0.000 0.304 85 H C 2.559 177.945 175.328 0.097 0.000 1.064 85 H CA 2.029 58.125 56.048 0.081 0.000 1.316 85 H CB -0.242 29.553 29.762 0.055 0.000 1.386 85 H HN 0.489 nan 8.280 nan 0.000 0.496 86 A N 1.288 124.358 122.820 0.417 0.000 1.892 86 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 86 A C 2.307 179.974 177.584 0.138 0.000 1.188 86 A CA 1.996 54.198 52.037 0.275 0.000 0.631 86 A CB -0.692 18.393 19.000 0.142 0.000 0.822 86 A HN 0.514 nan 8.150 nan 0.000 0.447 87 D N -1.973 118.487 120.400 0.100 0.000 2.149 87 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 87 D C 1.678 177.976 176.300 -0.004 0.000 0.990 87 D CA 1.516 55.532 54.000 0.026 0.000 0.839 87 D CB -0.310 40.510 40.800 0.033 0.000 0.948 87 D HN 0.593 nan 8.370 nan 0.000 0.460 88 Y N 1.007 121.281 120.300 -0.043 0.000 2.181 88 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 88 Y C 2.188 178.038 175.900 -0.084 0.000 1.146 88 Y CA 1.027 59.082 58.100 -0.075 0.000 1.164 88 Y CB -0.365 38.035 38.460 -0.099 0.000 0.982 88 Y HN -0.137 nan 8.280 nan 0.000 0.515 89 I N 0.815 121.344 120.570 -0.068 0.000 2.151 89 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 89 I C 2.629 178.634 176.117 -0.187 0.000 1.080 89 I CA 1.769 63.009 61.300 -0.100 0.000 1.339 89 I CB -0.654 37.366 38.000 0.032 0.000 1.039 89 I HN 0.151 nan 8.210 nan 0.000 0.409 90 K N 0.618 120.904 120.400 -0.190 0.000 2.063 90 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 90 K C 1.825 178.227 176.600 -0.330 0.000 1.048 90 K CA 2.153 58.257 56.287 -0.305 0.000 0.928 90 K CB -0.260 31.987 32.500 -0.422 0.000 0.713 90 K HN 0.493 nan 8.250 nan 0.000 0.442 91 N N 0.327 118.823 118.700 -0.339 0.000 2.216 91 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 91 N C 1.834 177.127 175.510 -0.361 0.000 1.017 91 N CA 0.746 53.598 53.050 -0.330 0.000 0.861 91 N CB -0.062 38.235 38.487 -0.316 0.000 0.986 91 N HN 0.154 nan 8.380 nan 0.000 0.428 92 M N 1.019 120.324 119.600 -0.492 0.000 2.213 92 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 92 M C 1.557 177.721 176.300 -0.227 0.000 1.062 92 M CA 1.531 56.588 55.300 -0.405 0.000 1.105 92 M CB -0.246 32.093 32.600 -0.434 0.000 1.385 92 M HN 0.198 nan 8.290 nan 0.000 0.417 93 I N 0.026 120.470 120.570 -0.211 0.000 2.339 93 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 93 I C 1.627 177.647 176.117 -0.163 0.000 1.096 93 I CA 1.452 62.654 61.300 -0.163 0.000 1.408 93 I CB -0.307 37.608 38.000 -0.140 0.000 1.092 93 I HN 0.335 nan 8.210 nan 0.000 0.423 94 T N -0.893 113.552 114.554 -0.183 0.000 3.658 94 T HA 0.174 4.524 4.350 -0.000 0.000 0.250 94 T C 1.496 176.115 174.700 -0.136 0.000 1.060 94 T CA 0.336 62.343 62.100 -0.156 0.000 0.962 94 T CB -0.695 68.067 68.868 -0.177 0.000 1.075 94 T HN 0.596 nan 8.240 nan 0.000 0.610 95 G N 0.589 109.311 108.800 -0.132 0.000 2.262 95 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.269 95 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.269 95 G C 1.273 176.107 174.900 -0.110 0.000 0.984 95 G CA 0.567 45.603 45.100 -0.108 0.000 0.649 95 G HN 1.122 nan 8.290 nan 0.000 0.548 96 A N 0.872 123.613 122.820 -0.130 0.000 1.827 96 A HA 0.448 4.768 4.320 -0.000 0.000 0.215 96 A C 2.112 179.625 177.584 -0.119 0.000 1.212 96 A CA 2.402 54.367 52.037 -0.120 0.000 0.624 96 A CB -1.065 17.857 19.000 -0.130 0.000 0.853 96 A HN 2.127 nan 8.150 nan 0.000 0.450 97 A N -2.105 120.615 122.820 -0.166 0.000 2.425 97 A HA 0.487 4.807 4.320 -0.000 0.000 0.242 97 A C 0.170 177.706 177.584 -0.080 0.000 1.077 97 A CA 0.373 52.330 52.037 -0.133 0.000 0.781 97 A CB 0.233 19.057 19.000 -0.293 0.000 1.020 97 A HN 0.432 nan 8.150 nan 0.000 0.494 98 Q N 1.091 120.901 119.800 0.017 0.000 4.079 98 Q HA 0.135 4.475 4.340 -0.000 0.000 0.178 98 Q C -1.058 174.986 176.000 0.074 0.000 0.810 98 Q CA 0.177 56.003 55.803 0.039 0.000 0.819 98 Q CB 0.227 28.966 28.738 0.002 0.000 1.558 98 Q HN 0.855 nan 8.270 nan 0.000 0.423 99 M N 1.717 121.390 119.600 0.121 0.000 2.427 99 M HA 0.029 4.509 4.480 -0.000 0.000 0.345 99 M C 0.282 176.615 176.300 0.055 0.000 1.653 99 M CA 0.551 55.895 55.300 0.073 0.000 1.138 99 M CB 0.384 33.007 32.600 0.039 0.000 1.995 99 M HN 0.125 nan 8.290 nan 0.000 0.459 100 D N 2.290 122.729 120.400 0.064 0.000 2.355 100 D HA 0.183 4.823 4.640 -0.000 0.000 0.218 100 D C 0.936 177.292 176.300 0.092 0.000 1.004 100 D CA 0.496 54.542 54.000 0.077 0.000 0.880 100 D CB 0.516 41.380 40.800 0.107 0.000 0.911 100 D HN 0.825 nan 8.370 nan 0.000 0.528 101 G N -0.643 108.200 108.800 0.071 0.000 2.387 101 G HA2 0.538 4.498 3.960 -0.000 0.000 0.294 101 G HA3 0.538 4.498 3.960 -0.000 0.000 0.294 101 G C -1.946 172.962 174.900 0.013 0.000 1.509 101 G CA -0.158 44.992 45.100 0.084 0.000 0.806 101 G HN 0.187 nan 8.290 nan 0.000 0.546 102 A N -0.298 122.517 122.820 -0.008 0.000 2.572 102 A HA 0.837 5.157 4.320 -0.000 0.000 0.295 102 A C -1.013 176.533 177.584 -0.063 0.000 1.072 102 A CA -0.632 51.360 52.037 -0.076 0.000 0.691 102 A CB 1.274 20.193 19.000 -0.135 0.000 1.291 102 A HN 0.954 nan 8.150 nan 0.000 0.404 103 I N 1.574 122.101 120.570 -0.071 0.000 2.336 103 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 103 I C -0.712 175.377 176.117 -0.048 0.000 0.991 103 I CA -0.680 60.598 61.300 -0.038 0.000 1.227 103 I CB 1.590 39.583 38.000 -0.011 0.000 1.366 103 I HN 0.543 nan 8.210 nan 0.000 0.466 104 L N 8.462 129.666 121.223 -0.030 0.000 2.272 104 L HA 0.474 4.814 4.340 -0.000 0.000 0.289 104 L C -0.575 176.326 176.870 0.052 0.000 1.032 104 L CA -0.244 54.583 54.840 -0.022 0.000 0.810 104 L CB 1.370 43.406 42.059 -0.039 0.000 1.205 104 L HN 0.315 nan 8.230 nan 0.000 0.422 105 V N 6.437 126.390 119.914 0.065 0.000 2.328 105 V HA 0.534 4.654 4.120 -0.000 0.000 0.278 105 V C -0.254 175.959 176.094 0.199 0.000 1.021 105 V CA -0.513 61.875 62.300 0.146 0.000 0.838 105 V CB 1.339 33.241 31.823 0.132 0.000 0.999 105 V HN 0.626 nan 8.190 nan 0.000 0.447 106 V N 2.739 122.749 119.914 0.160 0.000 2.735 106 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 106 V C -0.043 175.964 176.094 -0.145 0.000 1.061 106 V CA -0.354 62.054 62.300 0.179 0.000 0.913 106 V CB 2.265 34.167 31.823 0.132 0.000 1.005 106 V HN 0.727 nan 8.190 nan 0.000 0.428 107 S N 3.955 119.244 115.700 -0.686 0.000 2.481 107 S HA 0.550 5.020 4.470 -0.000 0.000 0.276 107 S C 1.409 175.801 174.600 -0.347 0.000 1.247 107 S CA 0.105 57.930 58.200 -0.624 0.000 1.053 107 S CB 0.944 63.567 63.200 -0.963 0.000 0.925 107 S HN 1.698 nan 8.310 nan 0.000 0.491 108 A N 5.085 127.767 122.820 -0.230 0.000 2.019 108 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 108 A C 2.256 179.761 177.584 -0.132 0.000 1.164 108 A CA 1.674 53.618 52.037 -0.156 0.000 0.644 108 A CB -0.946 17.970 19.000 -0.140 0.000 0.805 108 A HN 1.088 nan 8.150 nan 0.000 0.449 109 A N -0.259 122.468 122.820 -0.155 0.000 1.929 109 A HA -0.096 4.223 4.320 -0.000 0.000 0.216 109 A C 1.742 179.267 177.584 -0.097 0.000 1.176 109 A CA 1.764 53.732 52.037 -0.115 0.000 0.628 109 A CB -0.283 18.648 19.000 -0.115 0.000 0.816 109 A HN 0.433 nan 8.150 nan 0.000 0.444 110 D N -1.598 118.725 120.400 -0.128 0.000 2.262 110 D HA 0.351 4.991 4.640 -0.000 0.000 0.212 110 D C 1.318 177.600 176.300 -0.029 0.000 0.964 110 D CA 1.429 55.394 54.000 -0.059 0.000 0.875 110 D CB 0.004 40.800 40.800 -0.006 0.000 0.996 110 D HN 0.634 nan 8.370 nan 0.000 0.497 111 G N 0.817 109.585 108.800 -0.053 0.000 2.660 111 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.247 111 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.247 111 G C -2.621 172.317 174.900 0.063 0.000 1.328 111 G CA -0.935 44.159 45.100 -0.011 0.000 0.884 111 G HN 0.007 nan 8.290 nan 0.000 0.531 112 P HA 0.383 nan 4.420 nan 0.000 0.269 112 P C 0.154 177.515 177.300 0.101 0.000 1.217 112 P CA 0.099 63.262 63.100 0.105 0.000 0.783 112 P CB 0.356 32.098 31.700 0.070 0.000 0.898 113 M N 3.064 122.722 119.600 0.097 0.000 2.508 113 M HA 0.265 4.745 4.480 -0.000 0.000 0.327 113 M C -1.498 174.808 176.300 0.010 0.000 1.160 113 M CA -2.748 52.582 55.300 0.050 0.000 0.980 113 M CB 1.199 33.827 32.600 0.046 0.000 1.693 113 M HN 0.160 nan 8.290 nan 0.000 0.452 114 P HA -0.204 nan 4.420 nan 0.000 0.217 114 P C 0.672 177.929 177.300 -0.072 0.000 1.151 114 P CA 1.811 64.900 63.100 -0.018 0.000 0.849 114 P CB 0.043 31.736 31.700 -0.010 0.000 0.787 115 Q N -1.086 118.633 119.800 -0.136 0.000 2.364 115 Q HA -0.060 4.280 4.340 -0.000 0.000 0.207 115 Q C 2.120 177.804 176.000 -0.527 0.000 0.970 115 Q CA 1.380 56.995 55.803 -0.313 0.000 0.888 115 Q CB -1.479 27.029 28.738 -0.384 0.000 0.951 115 Q HN 0.224 nan 8.270 nan 0.000 0.469 116 T N 0.629 115.009 114.554 -0.290 0.000 2.737 116 T HA -0.242 4.108 4.350 -0.000 0.000 0.269 116 T C 1.634 176.272 174.700 -0.103 0.000 1.040 116 T CA 1.560 63.587 62.100 -0.121 0.000 1.142 116 T CB -0.168 68.729 68.868 0.048 0.000 0.861 116 T HN 0.365 nan 8.240 nan 0.000 0.456 117 R N 0.813 121.257 120.500 -0.093 0.000 2.083 117 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 117 R C 2.191 178.397 176.300 -0.157 0.000 1.137 117 R CA 1.725 57.778 56.100 -0.078 0.000 0.951 117 R CB -0.106 30.208 30.300 0.023 0.000 0.851 117 R HN 0.263 nan 8.270 nan 0.000 0.434 118 E N -0.551 119.562 120.200 -0.145 0.000 2.150 118 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 118 E C 1.896 178.486 176.600 -0.016 0.000 0.985 118 E CA 1.195 57.542 56.400 -0.089 0.000 0.814 118 E CB -0.145 29.489 29.700 -0.110 0.000 0.752 118 E HN 0.451 nan 8.360 nan 0.000 0.466 119 H N 0.090 119.130 119.070 -0.050 0.000 2.270 119 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 119 H C 2.270 177.534 175.328 -0.107 0.000 1.077 119 H CA 1.382 57.389 56.048 -0.068 0.000 1.294 119 H CB -0.683 29.039 29.762 -0.066 0.000 1.371 119 H HN 0.168 nan 8.280 nan 0.000 0.491 120 I N 0.397 120.963 120.570 -0.006 0.000 2.151 120 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 120 I C 2.600 178.618 176.117 -0.164 0.000 1.080 120 I CA 0.980 62.213 61.300 -0.113 0.000 1.339 120 I CB -0.433 37.426 38.000 -0.236 0.000 1.039 120 I HN 0.091 nan 8.210 nan 0.000 0.409 121 L N -0.030 121.029 121.223 -0.274 0.000 2.051 121 L HA -0.277 4.063 4.340 -0.000 0.000 0.214 121 L C 2.556 179.432 176.870 0.009 0.000 1.076 121 L CA 1.330 56.076 54.840 -0.156 0.000 0.758 121 L CB -0.455 41.582 42.059 -0.037 0.000 0.890 121 L HN 0.295 nan 8.230 nan 0.000 0.433 122 L N -0.305 120.922 121.223 0.007 0.000 1.989 122 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 122 L C 2.621 179.454 176.870 -0.061 0.000 1.071 122 L CA 2.126 56.905 54.840 -0.101 0.000 0.749 122 L CB -0.861 41.068 42.059 -0.216 0.000 0.890 122 L HN 0.189 nan 8.230 nan 0.000 0.431 123 A N -0.339 122.466 122.820 -0.025 0.000 1.884 123 A HA -0.326 3.994 4.320 -0.000 0.000 0.219 123 A C 2.446 180.122 177.584 0.154 0.000 1.197 123 A CA 2.248 54.320 52.037 0.059 0.000 0.637 123 A CB -0.794 18.272 19.000 0.112 0.000 0.827 123 A HN 0.499 nan 8.150 nan 0.000 0.450 124 R N -0.131 120.472 120.500 0.170 0.000 2.094 124 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 124 R C 2.335 178.666 176.300 0.051 0.000 1.137 124 R CA 2.336 58.479 56.100 0.072 0.000 0.943 124 R CB -1.160 29.191 30.300 0.086 0.000 0.850 124 R HN 0.742 nan 8.270 nan 0.000 0.433 125 Q N -0.371 119.467 119.800 0.063 0.000 2.014 125 Q HA -0.154 4.186 4.340 -0.000 0.000 0.207 125 Q C 1.915 177.946 176.000 0.052 0.000 0.993 125 Q CA 2.722 58.561 55.803 0.061 0.000 0.850 125 Q CB -0.209 28.570 28.738 0.069 0.000 0.916 125 Q HN 0.356 nan 8.270 nan 0.000 0.417 126 V N -2.138 117.809 119.914 0.054 0.000 2.970 126 V HA 0.167 4.287 4.120 -0.000 0.000 0.260 126 V C 0.917 177.050 176.094 0.066 0.000 1.100 126 V CA 1.272 63.622 62.300 0.084 0.000 1.122 126 V CB -0.625 31.302 31.823 0.174 0.000 0.721 126 V HN 0.567 nan 8.190 nan 0.000 0.483 127 G N 0.440 109.274 108.800 0.058 0.000 2.368 127 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.290 127 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.290 127 G C -0.180 174.751 174.900 0.052 0.000 1.098 127 G CA 0.063 45.187 45.100 0.040 0.000 1.073 127 G HN 0.951 nan 8.290 nan 0.000 0.511 128 V N 1.138 121.122 119.914 0.116 0.000 2.585 128 V HA 0.094 4.214 4.120 -0.000 0.000 0.296 128 V C 0.281 176.398 176.094 0.038 0.000 1.035 128 V CA -0.220 62.123 62.300 0.073 0.000 1.084 128 V CB 1.040 32.896 31.823 0.054 0.000 0.953 128 V HN 0.358 nan 8.190 nan 0.000 0.483 129 P HA -0.118 nan 4.420 nan 0.000 0.213 129 P C -0.581 176.229 177.300 -0.817 0.000 1.176 129 P CA 1.664 64.381 63.100 -0.639 0.000 0.919 129 P CB 0.086 31.390 31.700 -0.660 0.000 0.791 130 Y N -3.223 117.162 120.300 0.142 0.000 2.588 130 Y HA 0.583 5.133 4.550 -0.000 0.000 0.343 130 Y C 0.042 176.015 175.900 0.123 0.000 1.065 130 Y CA -1.161 57.053 58.100 0.189 0.000 1.038 130 Y CB 1.251 39.715 38.460 0.007 0.000 1.297 130 Y HN -0.281 nan 8.280 nan 0.000 0.467 131 I N 1.758 122.489 120.570 0.269 0.000 2.608 131 I HA 0.622 4.792 4.170 -0.000 0.000 0.295 131 I C -1.168 174.948 176.117 -0.003 0.000 1.049 131 I CA -1.123 60.163 61.300 -0.022 0.000 1.063 131 I CB 2.171 39.933 38.000 -0.396 0.000 1.248 131 I HN 0.284 nan 8.210 nan 0.000 0.424 132 V N 5.875 125.776 119.914 -0.023 0.000 2.769 132 V HA 0.522 4.642 4.120 -0.000 0.000 0.312 132 V C -0.372 175.698 176.094 -0.040 0.000 1.061 132 V CA -0.686 61.580 62.300 -0.057 0.000 0.931 132 V CB 2.577 34.412 31.823 0.021 0.000 1.010 132 V HN 0.381 nan 8.190 nan 0.000 0.433 133 V N 3.570 123.462 119.914 -0.036 0.000 2.628 133 V HA 0.543 4.663 4.120 -0.000 0.000 0.306 133 V C -1.032 175.115 176.094 0.087 0.000 1.045 133 V CA -0.608 61.697 62.300 0.007 0.000 0.905 133 V CB 1.806 33.607 31.823 -0.036 0.000 0.997 133 V HN 0.706 nan 8.190 nan 0.000 0.436 134 F N 4.664 124.586 119.950 -0.046 0.000 2.496 134 F HA 0.591 5.118 4.527 -0.000 0.000 0.341 134 F C -0.087 175.692 175.800 -0.035 0.000 1.134 134 F CA -0.712 57.264 58.000 -0.040 0.000 0.968 134 F CB 1.651 40.623 39.000 -0.046 0.000 1.205 134 F HN 0.397 nan 8.300 nan 0.000 0.436 135 M N 5.625 124.888 119.600 -0.563 0.000 2.497 135 M HA 0.148 4.628 4.480 -0.000 0.000 0.336 135 M C -0.090 175.843 176.300 -0.612 0.000 1.378 135 M CA -0.208 54.840 55.300 -0.421 0.000 1.375 135 M CB -0.063 32.362 32.600 -0.291 0.000 1.337 135 M HN 0.586 nan 8.290 nan 0.000 0.461 136 N N 2.270 120.755 118.700 -0.358 0.000 2.347 136 N HA 0.150 4.890 4.740 -0.000 0.000 0.253 136 N C -0.297 175.112 175.510 -0.168 0.000 1.274 136 N CA 0.348 53.302 53.050 -0.160 0.000 0.941 136 N CB 0.612 39.192 38.487 0.155 0.000 1.200 136 N HN 0.486 nan 8.380 nan 0.000 0.514 137 K N -1.011 119.313 120.400 -0.128 0.000 3.035 137 K HA -0.164 4.156 4.320 -0.000 0.000 0.262 137 K C 0.459 176.964 176.600 -0.157 0.000 1.024 137 K CA 0.277 56.468 56.287 -0.160 0.000 0.748 137 K CB -1.708 30.700 32.500 -0.153 0.000 1.247 137 K HN 0.262 nan 8.250 nan 0.000 0.482 138 V N 1.195 121.021 119.914 -0.146 0.000 2.970 138 V HA -0.190 3.930 4.120 -0.000 0.000 0.260 138 V C 2.206 178.285 176.094 -0.025 0.000 1.100 138 V CA 2.159 64.414 62.300 -0.075 0.000 1.122 138 V CB -0.181 31.628 31.823 -0.024 0.000 0.721 138 V HN 0.548 nan 8.190 nan 0.000 0.483 139 D N -0.501 119.831 120.400 -0.113 0.000 2.312 139 D HA -0.162 4.478 4.640 -0.000 0.000 0.211 139 D C 1.326 177.593 176.300 -0.056 0.000 0.964 139 D CA 0.693 54.651 54.000 -0.071 0.000 0.877 139 D CB -0.084 40.524 40.800 -0.321 0.000 0.924 139 D HN 0.460 nan 8.370 nan 0.000 0.515 140 M N 1.629 121.178 119.600 -0.085 0.000 3.029 140 M HA 0.233 4.713 4.480 -0.000 0.000 0.267 140 M C -0.223 176.047 176.300 -0.049 0.000 1.270 140 M CA -0.235 55.025 55.300 -0.067 0.000 1.101 140 M CB 1.023 33.572 32.600 -0.085 0.000 1.266 140 M HN -0.074 nan 8.290 nan 0.000 0.503 141 V N -0.142 119.754 119.914 -0.030 0.000 2.697 141 V HA 0.218 4.338 4.120 -0.000 0.000 0.296 141 V C -0.409 175.681 176.094 -0.006 0.000 1.140 141 V CA -0.608 61.678 62.300 -0.025 0.000 0.921 141 V CB 1.606 33.407 31.823 -0.037 0.000 1.036 141 V HN 0.483 nan 8.190 nan 0.000 0.438 142 D N 3.899 124.296 120.400 -0.006 0.000 2.087 142 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 142 D C 0.748 177.048 176.300 -0.000 0.000 0.980 142 D CA 1.130 55.131 54.000 0.001 0.000 0.849 142 D CB -0.239 40.560 40.800 -0.001 0.000 1.001 142 D HN 0.652 nan 8.370 nan 0.000 0.452 143 D N 0.486 120.883 120.400 -0.005 0.000 2.401 143 D HA 0.060 4.700 4.640 -0.000 0.000 0.254 143 D C -1.724 174.571 176.300 -0.009 0.000 1.192 143 D CA -1.846 52.150 54.000 -0.007 0.000 0.885 143 D CB 1.406 42.201 40.800 -0.008 0.000 1.147 143 D HN -0.042 nan 8.370 nan 0.000 0.478 144 P HA 0.051 nan 4.420 nan 0.000 0.241 144 P C 0.786 178.078 177.300 -0.014 0.000 1.191 144 P CA 0.642 63.735 63.100 -0.011 0.000 0.771 144 P CB 0.172 31.866 31.700 -0.009 0.000 0.929 145 E N 0.413 120.606 120.200 -0.012 0.000 2.285 145 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 145 E C 1.846 178.438 176.600 -0.013 0.000 0.997 145 E CA 0.624 57.017 56.400 -0.011 0.000 0.845 145 E CB -1.329 28.366 29.700 -0.009 0.000 0.782 145 E HN 0.212 nan 8.360 nan 0.000 0.491 146 L N -0.248 120.966 121.223 -0.015 0.000 2.044 146 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 146 L C 2.870 179.725 176.870 -0.024 0.000 1.075 146 L CA 1.004 55.832 54.840 -0.019 0.000 0.747 146 L CB -0.438 41.609 42.059 -0.021 0.000 0.903 146 L HN 0.310 nan 8.230 nan 0.000 0.435 147 L N -0.453 120.753 121.223 -0.028 0.000 2.012 147 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 147 L C 2.274 179.124 176.870 -0.033 0.000 1.073 147 L CA 1.412 56.229 54.840 -0.038 0.000 0.748 147 L CB -0.916 41.119 42.059 -0.040 0.000 0.891 147 L HN 0.359 nan 8.230 nan 0.000 0.431 148 D N 0.299 120.684 120.400 -0.026 0.000 2.158 148 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 148 D C 2.112 178.402 176.300 -0.017 0.000 0.995 148 D CA 1.395 55.382 54.000 -0.021 0.000 0.846 148 D CB -0.022 40.769 40.800 -0.015 0.000 0.941 148 D HN 0.213 nan 8.370 nan 0.000 0.456 149 L N 1.178 122.391 121.223 -0.015 0.000 1.988 149 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 149 L C 2.397 179.261 176.870 -0.010 0.000 1.071 149 L CA 1.439 56.273 54.840 -0.010 0.000 0.744 149 L CB -0.891 41.163 42.059 -0.009 0.000 0.893 149 L HN -0.149 nan 8.230 nan 0.000 0.433 150 V N 0.453 120.357 119.914 -0.017 0.000 2.250 150 V HA -0.401 3.719 4.120 -0.000 0.000 0.253 150 V C 2.672 178.757 176.094 -0.015 0.000 1.065 150 V CA 2.355 64.644 62.300 -0.019 0.000 1.039 150 V CB -1.166 30.635 31.823 -0.036 0.000 0.647 150 V HN 0.710 nan 8.190 nan 0.000 0.446 151 E N -0.049 120.137 120.200 -0.024 0.000 2.085 151 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 151 E C 2.356 178.952 176.600 -0.007 0.000 0.994 151 E CA 2.398 58.785 56.400 -0.023 0.000 0.801 151 E CB -0.178 29.502 29.700 -0.033 0.000 0.743 151 E HN 0.575 nan 8.360 nan 0.000 0.453 152 M N 0.664 120.263 119.600 -0.003 0.000 2.213 152 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 152 M C 1.914 178.224 176.300 0.017 0.000 1.062 152 M CA 2.032 57.336 55.300 0.007 0.000 1.105 152 M CB -0.997 31.606 32.600 0.005 0.000 1.385 152 M HN 0.169 nan 8.290 nan 0.000 0.417 153 E N 0.115 120.324 120.200 0.016 0.000 2.007 153 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 153 E C 2.178 178.802 176.600 0.040 0.000 0.999 153 E CA 1.594 58.011 56.400 0.028 0.000 0.811 153 E CB -0.449 29.265 29.700 0.024 0.000 0.762 153 E HN 0.593 nan 8.360 nan 0.000 0.450 154 V N 1.678 121.612 119.914 0.033 0.000 2.231 154 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 154 V C 2.340 178.464 176.094 0.050 0.000 1.054 154 V CA 2.043 64.367 62.300 0.040 0.000 1.015 154 V CB -0.730 31.105 31.823 0.020 0.000 0.638 154 V HN 0.263 nan 8.190 nan 0.000 0.444 155 R N 0.101 120.622 120.500 0.034 0.000 2.134 155 R HA -0.300 4.040 4.340 -0.000 0.000 0.248 155 R C 2.128 178.472 176.300 0.072 0.000 1.143 155 R CA 2.359 58.484 56.100 0.043 0.000 0.957 155 R CB -0.847 29.469 30.300 0.026 0.000 0.867 155 R HN 0.748 nan 8.270 nan 0.000 0.441 156 D N 0.593 121.032 120.400 0.066 0.000 2.084 156 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 156 D C 2.050 178.419 176.300 0.114 0.000 0.990 156 D CA 0.960 55.006 54.000 0.075 0.000 0.826 156 D CB -0.116 40.718 40.800 0.056 0.000 0.971 156 D HN 0.110 nan 8.370 nan 0.000 0.453 157 L N -0.348 120.952 121.223 0.128 0.000 2.051 157 L HA -0.237 4.103 4.340 -0.000 0.000 0.214 157 L C 2.493 179.548 176.870 0.307 0.000 1.076 157 L CA 1.154 56.113 54.840 0.199 0.000 0.758 157 L CB -0.372 41.779 42.059 0.154 0.000 0.890 157 L HN 0.253 nan 8.230 nan 0.000 0.433 158 L N -0.911 120.460 121.223 0.246 0.000 2.093 158 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 158 L C 2.271 179.355 176.870 0.357 0.000 1.085 158 L CA 1.014 56.059 54.840 0.341 0.000 0.755 158 L CB -0.790 41.414 42.059 0.242 0.000 0.904 158 L HN 0.258 nan 8.230 nan 0.000 0.435 159 N N 0.180 119.014 118.700 0.225 0.000 2.149 159 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 159 N C 1.849 177.425 175.510 0.109 0.000 1.019 159 N CA 1.206 54.348 53.050 0.154 0.000 0.857 159 N CB -0.244 38.301 38.487 0.098 0.000 0.997 159 N HN 0.516 nan 8.380 nan 0.000 0.426 160 Q N -0.704 119.159 119.800 0.105 0.000 2.368 160 Q HA -0.130 4.210 4.340 -0.000 0.000 0.210 160 Q C 0.170 175.982 176.000 -0.314 0.000 0.982 160 Q CA 1.057 56.798 55.803 -0.103 0.000 0.884 160 Q CB -0.029 28.631 28.738 -0.129 0.000 0.933 160 Q HN 0.541 nan 8.270 nan 0.000 0.460 161 Y N -0.616 119.724 120.300 0.066 0.000 2.699 161 Y HA 0.140 4.690 4.550 -0.000 0.000 0.282 161 Y C -0.040 175.779 175.900 -0.135 0.000 1.058 161 Y CA -0.372 57.733 58.100 0.009 0.000 1.194 161 Y CB 0.537 39.048 38.460 0.084 0.000 1.193 161 Y HN -0.006 nan 8.280 nan 0.000 0.562 162 E N -2.393 117.805 120.200 -0.004 0.000 4.086 162 E HA -0.249 4.101 4.350 -0.000 0.000 0.363 162 E C -0.413 176.147 176.600 -0.066 0.000 0.616 162 E CA 0.722 57.070 56.400 -0.086 0.000 1.293 162 E CB -1.842 27.747 29.700 -0.184 0.000 1.747 162 E HN 0.329 nan 8.360 nan 0.000 0.405 163 F N 2.886 122.917 119.950 0.136 0.000 2.471 163 F HA 0.206 4.733 4.527 -0.000 0.000 0.353 163 F C -1.306 174.572 175.800 0.130 0.000 1.113 163 F CA -1.761 56.322 58.000 0.139 0.000 1.262 163 F CB 0.104 39.187 39.000 0.138 0.000 1.146 163 F HN -0.258 nan 8.300 nan 0.000 0.578 164 P HA 0.028 nan 4.420 nan 0.000 0.244 164 P C 0.964 178.376 177.300 0.186 0.000 1.723 164 P CA 0.315 63.565 63.100 0.250 0.000 1.110 164 P CB -0.247 31.623 31.700 0.284 0.000 1.972 165 G N 2.168 111.069 108.800 0.169 0.000 2.532 165 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.222 165 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.222 165 G C 0.959 175.893 174.900 0.057 0.000 1.102 165 G CA 0.608 45.774 45.100 0.109 0.000 0.742 165 G HN 0.331 nan 8.290 nan 0.000 0.577 166 D N 0.262 120.699 120.400 0.062 0.000 2.262 166 D HA 0.010 4.650 4.640 -0.000 0.000 0.212 166 D C 2.091 178.406 176.300 0.024 0.000 0.964 166 D CA 0.562 54.584 54.000 0.037 0.000 0.875 166 D CB -0.077 40.749 40.800 0.043 0.000 0.996 166 D HN 0.234 nan 8.370 nan 0.000 0.497 167 E N 0.944 121.176 120.200 0.053 0.000 2.208 167 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 167 E C 0.635 177.200 176.600 -0.057 0.000 0.988 167 E CA 0.013 56.449 56.400 0.059 0.000 0.828 167 E CB 0.162 29.957 29.700 0.159 0.000 0.763 167 E HN -0.007 nan 8.360 nan 0.000 0.478 168 V N 3.288 123.118 119.914 -0.140 0.000 2.740 168 V HA 0.068 4.188 4.120 -0.000 0.000 0.303 168 V C -2.036 173.874 176.094 -0.306 0.000 1.054 168 V CA -1.159 60.892 62.300 -0.416 0.000 1.106 168 V CB 0.746 32.413 31.823 -0.261 0.000 0.957 168 V HN 0.133 nan 8.190 nan 0.000 0.486 169 P HA 0.297 nan 4.420 nan 0.000 0.285 169 P C -1.148 176.076 177.300 -0.126 0.000 1.259 169 P CA -0.229 62.756 63.100 -0.191 0.000 0.794 169 P CB 1.415 33.016 31.700 -0.166 0.000 0.940 170 V N 5.179 125.046 119.914 -0.079 0.000 2.349 170 V HA 0.203 4.323 4.120 -0.000 0.000 0.284 170 V C 0.273 176.330 176.094 -0.062 0.000 1.014 170 V CA -0.598 61.662 62.300 -0.067 0.000 0.826 170 V CB 1.014 32.796 31.823 -0.070 0.000 1.009 170 V HN 0.379 nan 8.190 nan 0.000 0.431 171 I N 5.028 125.572 120.570 -0.045 0.000 2.428 171 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 171 I C 0.618 176.568 176.117 -0.279 0.000 1.019 171 I CA -0.138 61.130 61.300 -0.052 0.000 1.351 171 I CB 0.978 39.063 38.000 0.142 0.000 1.412 171 I HN 0.453 nan 8.210 nan 0.000 0.513 172 R N 3.726 124.092 120.500 -0.224 0.000 2.387 172 R HA 0.804 5.144 4.340 -0.000 0.000 0.314 172 R C 0.031 176.213 176.300 -0.198 0.000 0.958 172 R CA -0.549 55.379 56.100 -0.288 0.000 0.846 172 R CB 1.793 32.015 30.300 -0.129 0.000 1.147 172 R HN 0.921 nan 8.270 nan 0.000 0.447 173 G N -0.127 108.485 108.800 -0.314 0.000 2.494 173 G HA2 0.309 4.269 3.960 -0.000 0.000 0.308 173 G HA3 0.309 4.269 3.960 -0.000 0.000 0.308 173 G C -1.578 173.357 174.900 0.059 0.000 1.263 173 G CA -0.402 44.773 45.100 0.126 0.000 0.840 173 G HN 0.374 nan 8.290 nan 0.000 0.479 174 S N -1.039 114.759 115.700 0.164 0.000 2.736 174 S HA 0.594 5.064 4.470 -0.000 0.000 0.285 174 S C 0.969 175.583 174.600 0.022 0.000 1.163 174 S CA 0.738 58.886 58.200 -0.087 0.000 1.025 174 S CB 1.144 63.983 63.200 -0.602 0.000 1.030 174 S HN 1.729 nan 8.310 nan 0.000 0.486 175 A N 4.867 127.729 122.820 0.070 0.000 1.898 175 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 175 A C 1.917 179.418 177.584 -0.139 0.000 1.181 175 A CA 1.257 53.249 52.037 -0.074 0.000 0.620 175 A CB -0.714 18.217 19.000 -0.115 0.000 0.819 175 A HN 0.781 nan 8.150 nan 0.000 0.442 176 L N 0.262 121.399 121.223 -0.143 0.000 1.944 176 L HA -0.183 4.157 4.340 -0.000 0.000 0.218 176 L C 2.423 179.185 176.870 -0.180 0.000 1.075 176 L CA 2.062 56.806 54.840 -0.159 0.000 0.767 176 L CB -1.121 40.847 42.059 -0.151 0.000 0.890 176 L HN 0.450 nan 8.230 nan 0.000 0.434 177 L N -0.568 120.496 121.223 -0.264 0.000 2.043 177 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 177 L C 2.652 179.458 176.870 -0.107 0.000 1.075 177 L CA 1.480 56.159 54.840 -0.267 0.000 0.752 177 L CB -1.142 40.514 42.059 -0.671 0.000 0.891 177 L HN 0.439 nan 8.230 nan 0.000 0.432 178 A N -0.083 122.697 122.820 -0.066 0.000 1.908 178 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 178 A C 2.225 179.760 177.584 -0.082 0.000 1.181 178 A CA 1.873 53.921 52.037 0.019 0.000 0.627 178 A CB -0.642 18.366 19.000 0.013 0.000 0.818 178 A HN 0.326 nan 8.150 nan 0.000 0.445 179 L N 0.158 121.275 121.223 -0.178 0.000 2.044 179 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 179 L C 2.189 178.859 176.870 -0.332 0.000 1.075 179 L CA 2.273 56.920 54.840 -0.322 0.000 0.747 179 L CB -1.037 40.790 42.059 -0.385 0.000 0.903 179 L HN 0.537 nan 8.230 nan 0.000 0.435 180 E N -0.882 119.222 120.200 -0.160 0.000 2.097 180 E HA -0.350 4.000 4.350 -0.000 0.000 0.196 180 E C 2.064 178.688 176.600 0.040 0.000 1.000 180 E CA 1.551 57.944 56.400 -0.012 0.000 0.804 180 E CB -0.171 29.533 29.700 0.005 0.000 0.740 180 E HN 0.513 nan 8.360 nan 0.000 0.454 181 Q N 0.410 120.226 119.800 0.026 0.000 2.084 181 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 181 Q C 1.974 178.016 176.000 0.070 0.000 0.978 181 Q CA 1.487 57.331 55.803 0.068 0.000 0.844 181 Q CB -0.055 28.741 28.738 0.097 0.000 0.898 181 Q HN 0.130 nan 8.270 nan 0.000 0.426 182 M N -0.246 119.373 119.600 0.030 0.000 2.213 182 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 182 M C 1.886 178.279 176.300 0.156 0.000 1.062 182 M CA 1.502 56.845 55.300 0.071 0.000 1.105 182 M CB -1.196 31.445 32.600 0.070 0.000 1.385 182 M HN 0.317 nan 8.290 nan 0.000 0.417 183 H N -0.174 118.978 119.070 0.137 0.000 2.326 183 H HA 0.016 4.572 4.556 -0.000 0.000 0.301 183 H C 2.324 177.693 175.328 0.068 0.000 1.081 183 H CA 1.431 57.554 56.048 0.125 0.000 1.334 183 H CB -0.199 29.618 29.762 0.092 0.000 1.385 183 H HN 0.331 nan 8.280 nan 0.000 0.504 184 R N 0.093 120.709 120.500 0.193 0.000 2.070 184 R HA -0.086 4.254 4.340 -0.000 0.000 0.233 184 R C 0.468 176.818 176.300 0.083 0.000 1.137 184 R CA 1.313 57.479 56.100 0.111 0.000 0.945 184 R CB -0.047 30.307 30.300 0.090 0.000 0.845 184 R HN 0.094 nan 8.270 nan 0.000 0.430 185 N N 0.085 118.834 118.700 0.081 0.000 2.776 185 N HA 0.160 4.900 4.740 -0.000 0.000 0.245 185 N C -2.360 173.182 175.510 0.054 0.000 1.121 185 N CA -2.307 50.778 53.050 0.058 0.000 0.852 185 N CB 1.503 40.023 38.487 0.054 0.000 1.142 185 N HN -0.217 nan 8.380 nan 0.000 0.514 186 P HA -0.100 nan 4.420 nan 0.000 0.222 186 P C 0.744 178.043 177.300 -0.002 0.000 1.142 186 P CA 1.474 64.569 63.100 -0.009 0.000 0.788 186 P CB 0.254 31.919 31.700 -0.059 0.000 0.767 187 K N -1.184 119.228 120.400 0.019 0.000 2.374 187 K HA 0.169 4.489 4.320 -0.000 0.000 0.196 187 K C 0.861 177.494 176.600 0.055 0.000 1.023 187 K CA 0.349 56.654 56.287 0.031 0.000 1.103 187 K CB -1.384 31.129 32.500 0.022 0.000 0.848 187 K HN 0.120 nan 8.250 nan 0.000 0.528 188 T N 2.199 116.793 114.554 0.067 0.000 2.934 188 T HA 0.145 4.495 4.350 -0.000 0.000 0.321 188 T C 0.372 175.147 174.700 0.125 0.000 1.080 188 T CA 0.417 62.570 62.100 0.087 0.000 1.132 188 T CB 0.196 69.122 68.868 0.097 0.000 1.039 188 T HN 0.622 nan 8.240 nan 0.000 0.543 189 R N 0.372 120.940 120.500 0.114 0.000 2.885 189 R HA 0.631 4.971 4.340 -0.000 0.000 0.260 189 R C -0.608 175.741 176.300 0.083 0.000 1.107 189 R CA -1.353 54.820 56.100 0.121 0.000 0.978 189 R CB 0.721 31.044 30.300 0.037 0.000 1.227 189 R HN 0.293 nan 8.270 nan 0.000 0.473 190 R N 0.482 120.931 120.500 -0.086 0.000 2.537 190 R HA 0.109 4.449 4.340 -0.000 0.000 0.281 190 R C 0.852 177.079 176.300 -0.122 0.000 0.988 190 R CA 2.023 57.965 56.100 -0.264 0.000 1.077 190 R CB -0.426 29.480 30.300 -0.655 0.000 0.932 190 R HN 0.839 nan 8.270 nan 0.000 0.409 191 G N 2.871 111.631 108.800 -0.066 0.000 2.336 191 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.233 191 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.233 191 G C 0.954 175.842 174.900 -0.019 0.000 1.053 191 G CA 0.426 45.497 45.100 -0.048 0.000 0.625 191 G HN 0.627 nan 8.290 nan 0.000 0.511 192 E N 0.471 120.672 120.200 0.003 0.000 2.001 192 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 192 E C 1.218 177.831 176.600 0.021 0.000 1.002 192 E CA 0.941 57.351 56.400 0.016 0.000 0.819 192 E CB -0.056 29.664 29.700 0.034 0.000 0.769 192 E HN 0.522 nan 8.360 nan 0.000 0.454 193 N N 0.579 119.310 118.700 0.051 0.000 2.430 193 N HA -0.049 4.691 4.740 -0.000 0.000 0.292 193 N C 0.519 176.030 175.510 0.002 0.000 1.051 193 N CA 0.060 53.138 53.050 0.046 0.000 0.917 193 N CB 1.712 40.260 38.487 0.102 0.000 1.164 193 N HN 0.102 nan 8.380 nan 0.000 0.484 194 E N 3.053 123.183 120.200 -0.117 0.000 2.058 194 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 194 E C 0.848 177.255 176.600 -0.323 0.000 0.997 194 E CA 1.617 57.831 56.400 -0.311 0.000 0.801 194 E CB -0.016 29.335 29.700 -0.582 0.000 0.746 194 E HN 0.735 nan 8.360 nan 0.000 0.450 195 W N 0.015 121.341 121.300 0.042 0.000 2.467 195 W HA -0.055 4.605 4.660 -0.000 0.000 0.275 195 W C 2.248 178.798 176.519 0.051 0.000 1.239 195 W CA 0.067 57.438 57.345 0.043 0.000 1.266 195 W CB -0.116 29.358 29.460 0.024 0.000 1.112 195 W HN -0.034 nan 8.180 nan 0.000 0.576 196 V N 0.435 120.492 119.914 0.238 0.000 2.307 196 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 196 V C 1.737 177.974 176.094 0.239 0.000 1.045 196 V CA 2.034 64.440 62.300 0.176 0.000 1.024 196 V CB -0.876 31.061 31.823 0.190 0.000 0.651 196 V HN 0.006 nan 8.190 nan 0.000 0.449 197 D N 0.156 120.700 120.400 0.240 0.000 2.190 197 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 197 D C 2.214 178.649 176.300 0.225 0.000 0.992 197 D CA 1.014 55.169 54.000 0.258 0.000 0.854 197 D CB -0.190 40.665 40.800 0.092 0.000 0.936 197 D HN 0.339 nan 8.370 nan 0.000 0.462 198 K N 0.252 120.756 120.400 0.173 0.000 2.097 198 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 198 K C 2.060 178.787 176.600 0.211 0.000 1.050 198 K CA 0.320 56.722 56.287 0.192 0.000 0.938 198 K CB -0.119 32.526 32.500 0.243 0.000 0.718 198 K HN 0.240 nan 8.250 nan 0.000 0.442 199 I N -0.653 119.994 120.570 0.128 0.000 2.286 199 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 199 I C 2.098 178.133 176.117 -0.136 0.000 1.115 199 I CA 1.089 62.340 61.300 -0.081 0.000 1.392 199 I CB -1.120 36.717 38.000 -0.272 0.000 1.065 199 I HN 0.198 nan 8.210 nan 0.000 0.418 200 W N 1.644 122.946 121.300 0.002 0.000 2.381 200 W HA -0.122 4.538 4.660 -0.000 0.000 0.301 200 W C 2.617 179.144 176.519 0.012 0.000 1.205 200 W CA 0.706 58.049 57.345 -0.004 0.000 1.285 200 W CB -0.334 29.127 29.460 0.002 0.000 1.133 200 W HN 0.136 nan 8.180 nan 0.000 0.521 201 E N 0.065 120.422 120.200 0.262 0.000 2.114 201 E HA -0.307 4.043 4.350 -0.000 0.000 0.199 201 E C 1.967 178.649 176.600 0.137 0.000 1.008 201 E CA 1.761 58.263 56.400 0.170 0.000 0.810 201 E CB -0.482 29.298 29.700 0.134 0.000 0.739 201 E HN 0.196 nan 8.360 nan 0.000 0.456 202 L N 0.629 121.923 121.223 0.118 0.000 2.023 202 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 202 L C 2.120 179.000 176.870 0.015 0.000 1.073 202 L CA 1.409 56.290 54.840 0.068 0.000 0.745 202 L CB -0.382 41.692 42.059 0.025 0.000 0.900 202 L HN 0.093 nan 8.230 nan 0.000 0.435 203 L N -0.258 120.949 121.223 -0.026 0.000 2.013 203 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 203 L C 2.324 179.256 176.870 0.103 0.000 1.073 203 L CA 1.579 56.404 54.840 -0.025 0.000 0.753 203 L CB -0.910 41.117 42.059 -0.053 0.000 0.890 203 L HN 0.337 nan 8.230 nan 0.000 0.432 204 D N 0.050 120.554 120.400 0.174 0.000 2.092 204 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 204 D C 2.252 178.627 176.300 0.125 0.000 0.994 204 D CA 1.618 55.717 54.000 0.165 0.000 0.828 204 D CB -0.292 40.602 40.800 0.158 0.000 0.963 204 D HN 0.338 nan 8.370 nan 0.000 0.450 205 A N 1.038 123.921 122.820 0.104 0.000 1.927 205 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 205 A C 2.433 180.091 177.584 0.124 0.000 1.185 205 A CA 1.425 53.521 52.037 0.098 0.000 0.639 205 A CB -0.936 18.105 19.000 0.068 0.000 0.820 205 A HN 0.241 nan 8.150 nan 0.000 0.451 206 I N -0.401 120.224 120.570 0.092 0.000 2.099 206 I HA -0.279 3.891 4.170 -0.000 0.000 0.239 206 I C 2.122 178.329 176.117 0.150 0.000 1.066 206 I CA 1.728 63.083 61.300 0.092 0.000 1.324 206 I CB -0.627 37.349 38.000 -0.040 0.000 1.037 206 I HN 0.276 nan 8.210 nan 0.000 0.401 207 D N 0.556 121.059 120.400 0.171 0.000 2.157 207 D HA -0.228 4.412 4.640 -0.000 0.000 0.191 207 D C 2.089 178.469 176.300 0.134 0.000 1.004 207 D CA 1.601 55.723 54.000 0.203 0.000 0.854 207 D CB -0.177 40.739 40.800 0.194 0.000 0.936 207 D HN 0.359 nan 8.370 nan 0.000 0.446 208 E N -0.603 119.667 120.200 0.116 0.000 2.024 208 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 208 E C 1.797 178.425 176.600 0.047 0.000 0.974 208 E CA 0.326 56.774 56.400 0.081 0.000 0.810 208 E CB -0.580 29.175 29.700 0.092 0.000 0.775 208 E HN 0.293 nan 8.360 nan 0.000 0.453 209 Y N 0.632 120.915 120.300 -0.028 0.000 2.716 209 Y HA 0.038 4.588 4.550 0.000 0.000 0.302 209 Y C -0.178 175.616 175.900 -0.177 0.000 1.160 209 Y CA 0.683 58.728 58.100 -0.091 0.000 1.362 209 Y CB 0.147 38.585 38.460 -0.038 0.000 0.988 209 Y HN -0.055 nan 8.280 nan 0.000 0.546 210 I N 2.337 122.819 120.570 -0.148 0.000 2.437 210 I HA 0.268 4.438 4.170 -0.000 0.000 0.279 210 I C -2.339 173.727 176.117 -0.085 0.000 1.028 210 I CA -2.137 59.084 61.300 -0.132 0.000 1.142 210 I CB 1.195 39.283 38.000 0.148 0.000 1.266 210 I HN -0.107 nan 8.210 nan 0.000 0.461 211 P HA 0.012 nan 4.420 nan 0.000 0.270 211 P C 0.045 177.385 177.300 0.067 0.000 1.227 211 P CA -0.009 63.061 63.100 -0.050 0.000 0.788 211 P CB 0.562 32.229 31.700 -0.054 0.000 0.926 212 T N 1.687 116.273 114.554 0.053 0.000 2.856 212 T HA 0.346 4.696 4.350 -0.000 0.000 0.292 212 T C -2.168 172.573 174.700 0.069 0.000 0.980 212 T CA -1.866 60.272 62.100 0.062 0.000 1.091 212 T CB -0.414 68.476 68.868 0.037 0.000 0.936 212 T HN 0.256 nan 8.240 nan 0.000 0.503 213 P HA 0.137 nan 4.420 nan 0.000 0.267 213 P C -0.374 176.953 177.300 0.046 0.000 1.209 213 P CA -0.327 62.811 63.100 0.064 0.000 0.763 213 P CB 0.157 31.894 31.700 0.061 0.000 0.816 214 V N 4.260 124.199 119.914 0.043 0.000 2.681 214 V HA -0.067 4.053 4.120 -0.000 0.000 0.306 214 V C 1.539 177.649 176.094 0.028 0.000 1.077 214 V CA 0.203 62.523 62.300 0.034 0.000 1.224 214 V CB -0.628 31.215 31.823 0.033 0.000 0.879 214 V HN 0.591 nan 8.190 nan 0.000 0.494 215 R N 2.917 123.432 120.500 0.024 0.000 2.738 215 R HA 0.060 4.400 4.340 -0.000 0.000 0.268 215 R C 1.094 177.406 176.300 0.019 0.000 1.062 215 R CA -0.461 55.650 56.100 0.019 0.000 1.158 215 R CB 0.334 30.644 30.300 0.017 0.000 1.046 215 R HN 0.805 nan 8.270 nan 0.000 0.493 216 D N 1.387 121.795 120.400 0.015 0.000 2.104 216 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 216 D C 1.673 177.990 176.300 0.029 0.000 0.994 216 D CA 1.947 55.957 54.000 0.016 0.000 0.830 216 D CB -0.022 40.784 40.800 0.010 0.000 0.959 216 D HN 0.464 nan 8.370 nan 0.000 0.452 217 V N -0.472 119.461 119.914 0.031 0.000 2.759 217 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 217 V C 1.311 177.432 176.094 0.045 0.000 1.080 217 V CA 1.646 63.971 62.300 0.043 0.000 1.101 217 V CB -0.274 31.570 31.823 0.034 0.000 0.698 217 V HN -0.113 nan 8.190 nan 0.000 0.477 218 D N 0.205 120.627 120.400 0.035 0.000 2.289 218 D HA 0.083 4.723 4.640 -0.000 0.000 0.207 218 D C 0.950 177.273 176.300 0.039 0.000 0.966 218 D CA 0.613 54.634 54.000 0.034 0.000 0.868 218 D CB 0.079 40.896 40.800 0.028 0.000 0.943 218 D HN 0.548 nan 8.370 nan 0.000 0.514 219 K N 1.081 121.504 120.400 0.039 0.000 2.138 219 K HA 0.233 4.553 4.320 -0.000 0.000 0.251 219 K C -2.429 174.203 176.600 0.053 0.000 1.015 219 K CA -1.424 54.885 56.287 0.036 0.000 0.917 219 K CB 0.188 32.702 32.500 0.023 0.000 1.021 219 K HN -0.158 nan 8.250 nan 0.000 0.485 220 P HA -0.124 nan 4.420 nan 0.000 0.265 220 P C -0.585 176.769 177.300 0.089 0.000 1.187 220 P CA 0.049 63.192 63.100 0.071 0.000 0.766 220 P CB 0.247 31.972 31.700 0.042 0.000 0.820 221 F N 4.703 124.653 119.950 -0.001 0.000 2.589 221 F HA 0.331 4.858 4.527 0.000 0.000 0.352 221 F C -0.116 175.682 175.800 -0.003 0.000 1.168 221 F CA 0.314 58.313 58.000 -0.003 0.000 1.353 221 F CB 0.051 39.047 39.000 -0.005 0.000 1.116 221 F HN 0.226 nan 8.300 nan 0.000 0.608 222 L N 7.086 127.464 121.223 -1.409 0.000 2.781 222 L HA 0.390 4.730 4.340 -0.000 0.000 0.256 222 L C -2.014 174.286 176.870 -0.948 0.000 0.930 222 L CA -0.460 53.720 54.840 -1.099 0.000 0.967 222 L CB 1.474 43.272 42.059 -0.435 0.000 1.551 222 L HN 0.836 nan 8.230 nan 0.000 0.445 223 M N 6.771 125.977 119.600 -0.656 0.000 2.238 223 M HA 0.530 5.010 4.480 -0.000 0.000 0.278 223 M C -2.970 173.255 176.300 -0.126 0.000 1.040 223 M CA -1.371 53.774 55.300 -0.258 0.000 0.969 223 M CB 3.125 35.698 32.600 -0.044 0.000 1.694 223 M HN 0.271 nan 8.290 nan 0.000 0.472 224 P HA 0.224 nan 4.420 nan 0.000 0.286 224 P C -0.745 176.551 177.300 -0.006 0.000 1.269 224 P CA -0.301 62.779 63.100 -0.032 0.000 0.787 224 P CB 1.015 32.709 31.700 -0.009 0.000 0.920 225 V N 4.647 124.558 119.914 -0.005 0.000 2.508 225 V HA 0.021 4.141 4.120 -0.000 0.000 0.281 225 V C 1.525 177.629 176.094 0.017 0.000 1.041 225 V CA 0.622 62.925 62.300 0.006 0.000 1.016 225 V CB 0.162 31.982 31.823 -0.004 0.000 0.984 225 V HN 0.591 nan 8.190 nan 0.000 0.478 226 E N 2.265 122.483 120.200 0.029 0.000 2.110 226 E HA 0.131 4.481 4.350 -0.000 0.000 0.194 226 E C -0.206 176.423 176.600 0.049 0.000 0.944 226 E CA 0.105 56.528 56.400 0.039 0.000 0.899 226 E CB 0.389 30.116 29.700 0.046 0.000 0.907 226 E HN 0.699 nan 8.360 nan 0.000 0.473 227 D N -0.047 120.395 120.400 0.071 0.000 2.450 227 D HA 0.512 5.152 4.640 -0.000 0.000 0.238 227 D C -0.807 175.552 176.300 0.100 0.000 1.020 227 D CA -0.471 53.592 54.000 0.105 0.000 1.010 227 D CB 2.774 43.668 40.800 0.156 0.000 1.342 227 D HN -0.162 nan 8.370 nan 0.000 0.530 228 V N 0.325 120.319 119.914 0.132 0.000 3.178 228 V HA 0.694 4.814 4.120 -0.000 0.000 0.302 228 V C -1.245 174.945 176.094 0.159 0.000 1.262 228 V CA -0.881 61.423 62.300 0.007 0.000 1.030 228 V CB 2.310 34.110 31.823 -0.038 0.000 1.074 228 V HN 0.658 nan 8.190 nan 0.000 0.438 229 F N -0.923 119.029 119.950 0.004 0.000 2.765 229 F HA 0.668 5.195 4.527 -0.000 0.000 0.313 229 F C -0.865 174.936 175.800 0.003 0.000 1.136 229 F CA -0.690 57.312 58.000 0.003 0.000 0.952 229 F CB 1.053 40.056 39.000 0.004 0.000 1.268 229 F HN 0.315 nan 8.300 nan 0.000 0.441 230 T N 3.370 118.031 114.554 0.178 0.000 2.875 230 T HA 0.592 4.942 4.350 -0.000 0.000 0.284 230 T C -0.685 174.143 174.700 0.213 0.000 0.995 230 T CA -0.368 61.788 62.100 0.092 0.000 1.060 230 T CB 1.302 70.202 68.868 0.054 0.000 0.967 230 T HN 0.503 nan 8.240 nan 0.000 0.476 231 I N 4.541 125.202 120.570 0.152 0.000 2.503 231 I HA 0.158 4.328 4.170 -0.000 0.000 0.277 231 I C 0.956 177.122 176.117 0.081 0.000 1.078 231 I CA -0.687 60.710 61.300 0.162 0.000 1.184 231 I CB -0.043 38.080 38.000 0.205 0.000 1.353 231 I HN 0.819 nan 8.210 nan 0.000 0.490 232 T N 1.829 116.422 114.554 0.065 0.000 2.581 232 T HA 0.140 4.490 4.350 -0.000 0.000 0.227 232 T C 1.372 176.091 174.700 0.032 0.000 1.023 232 T CA 0.737 62.861 62.100 0.040 0.000 1.158 232 T CB 0.295 69.183 68.868 0.033 0.000 1.013 232 T HN 1.085 nan 8.240 nan 0.000 0.462 233 G N 3.722 112.535 108.800 0.022 0.000 2.358 233 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.224 233 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.224 233 G C 1.218 176.126 174.900 0.013 0.000 1.073 233 G CA 0.353 45.462 45.100 0.016 0.000 0.635 233 G HN 0.732 nan 8.290 nan 0.000 0.509 234 R N 0.810 121.321 120.500 0.018 0.000 2.062 234 R HA 0.496 4.836 4.340 -0.000 0.000 0.218 234 R C 1.466 177.764 176.300 -0.002 0.000 1.161 234 R CA 1.617 57.723 56.100 0.011 0.000 0.994 234 R CB -0.281 30.031 30.300 0.021 0.000 0.888 234 R HN 1.548 nan 8.270 nan 0.000 0.442 235 G N 0.151 108.948 108.800 -0.004 0.000 2.339 235 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.275 235 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.275 235 G C -1.102 173.767 174.900 -0.052 0.000 1.323 235 G CA -0.389 44.696 45.100 -0.024 0.000 0.927 235 G HN 0.201 nan 8.290 nan 0.000 0.486 236 T N -1.467 113.038 114.554 -0.081 0.000 2.817 236 T HA 0.669 5.019 4.350 -0.000 0.000 0.293 236 T C -0.126 174.432 174.700 -0.236 0.000 0.964 236 T CA -0.511 61.504 62.100 -0.142 0.000 1.085 236 T CB 1.686 70.491 68.868 -0.105 0.000 0.921 236 T HN 1.125 nan 8.240 nan 0.000 0.502 237 V N 1.727 121.356 119.914 -0.474 0.000 2.769 237 V HA 0.845 4.965 4.120 -0.000 0.000 0.312 237 V C -0.023 175.691 176.094 -0.634 0.000 1.061 237 V CA -1.079 60.876 62.300 -0.575 0.000 0.931 237 V CB 1.859 33.241 31.823 -0.735 0.000 1.010 237 V HN 1.306 nan 8.190 nan 0.000 0.433 238 A N 1.924 124.546 122.820 -0.329 0.000 2.374 238 A HA 0.821 5.141 4.320 -0.000 0.000 0.305 238 A C -0.139 177.412 177.584 -0.054 0.000 1.053 238 A CA -0.230 51.702 52.037 -0.175 0.000 0.726 238 A CB 1.715 20.658 19.000 -0.095 0.000 1.229 238 A HN 0.963 nan 8.150 nan 0.000 0.431 239 T N -0.249 114.319 114.554 0.024 0.000 2.912 239 T HA 0.887 5.237 4.350 -0.000 0.000 0.280 239 T C 0.308 175.037 174.700 0.049 0.000 0.989 239 T CA 0.081 62.222 62.100 0.068 0.000 0.995 239 T CB 1.608 70.554 68.868 0.131 0.000 1.077 239 T HN 2.425 nan 8.240 nan 0.000 0.531 240 G N 0.334 109.160 108.800 0.044 0.000 2.339 240 G HA2 0.360 4.320 3.960 -0.000 0.000 0.302 240 G HA3 0.360 4.320 3.960 -0.000 0.000 0.302 240 G C -1.629 173.290 174.900 0.031 0.000 1.425 240 G CA -1.123 43.998 45.100 0.035 0.000 0.899 240 G HN 0.827 nan 8.290 nan 0.000 0.619 241 R N 0.654 121.168 120.500 0.024 0.000 2.255 241 R HA 0.534 4.874 4.340 -0.000 0.000 0.326 241 R C 0.285 176.600 176.300 0.025 0.000 0.986 241 R CA -0.785 55.328 56.100 0.022 0.000 0.847 241 R CB 0.459 30.768 30.300 0.015 0.000 1.111 241 R HN 0.483 nan 8.270 nan 0.000 0.452 242 I N 4.226 124.829 120.570 0.054 0.000 2.741 242 I HA -0.124 4.046 4.170 -0.000 0.000 0.288 242 I C 1.548 177.673 176.117 0.014 0.000 1.192 242 I CA 0.570 61.910 61.300 0.067 0.000 1.426 242 I CB 0.752 38.853 38.000 0.168 0.000 1.367 242 I HN 0.782 nan 8.210 nan 0.000 0.563 243 E N 6.778 126.950 120.200 -0.047 0.000 2.086 243 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 243 E C 0.316 176.898 176.600 -0.029 0.000 0.975 243 E CA 0.580 56.954 56.400 -0.043 0.000 0.813 243 E CB 0.502 30.159 29.700 -0.072 0.000 0.768 243 E HN 0.713 nan 8.360 nan 0.000 0.457 244 R N -2.041 118.432 120.500 -0.046 0.000 2.716 244 R HA 0.554 4.894 4.340 -0.000 0.000 0.271 244 R C -0.222 176.124 176.300 0.077 0.000 1.028 244 R CA -0.502 55.601 56.100 0.004 0.000 0.883 244 R CB 0.949 31.238 30.300 -0.018 0.000 1.250 244 R HN 0.132 nan 8.270 nan 0.000 0.465 245 G N 0.978 109.850 108.800 0.120 0.000 2.760 245 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.246 245 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.246 245 G C -1.244 173.792 174.900 0.227 0.000 1.359 245 G CA -0.189 45.032 45.100 0.202 0.000 0.861 245 G HN 0.742 nan 8.290 nan 0.000 0.541 246 K N -1.726 118.774 120.400 0.167 0.000 2.349 246 K HA 0.867 5.187 4.320 -0.000 0.000 0.243 246 K C -1.102 175.417 176.600 -0.135 0.000 1.058 246 K CA -0.748 55.567 56.287 0.047 0.000 0.871 246 K CB 2.842 35.348 32.500 0.010 0.000 1.337 246 K HN 1.380 nan 8.250 nan 0.000 0.469 247 V N 1.767 121.552 119.914 -0.214 0.000 2.859 247 V HA 0.165 4.285 4.120 -0.000 0.000 0.276 247 V C -1.479 174.481 176.094 -0.224 0.000 1.496 247 V CA -0.632 61.445 62.300 -0.372 0.000 0.929 247 V CB 1.521 32.831 31.823 -0.854 0.000 1.147 247 V HN 0.835 nan 8.190 nan 0.000 0.449 248 K N 5.080 125.379 120.400 -0.169 0.000 2.512 248 K HA 0.763 5.083 4.320 -0.000 0.000 0.272 248 K C -0.338 176.195 176.600 -0.112 0.000 1.033 248 K CA -0.467 55.754 56.287 -0.110 0.000 1.096 248 K CB 1.165 33.620 32.500 -0.074 0.000 1.498 248 K HN 0.444 nan 8.250 nan 0.000 0.629 249 V N -0.284 119.584 119.914 -0.076 0.000 3.036 249 V HA 0.340 4.460 4.120 -0.000 0.000 0.308 249 V C 1.355 177.412 176.094 -0.061 0.000 1.070 249 V CA 0.543 62.803 62.300 -0.066 0.000 1.056 249 V CB 0.314 32.110 31.823 -0.045 0.000 1.084 249 V HN 1.074 nan 8.190 nan 0.000 0.471 250 G N 1.547 110.315 108.800 -0.054 0.000 2.189 250 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.267 250 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.267 250 G C -0.041 174.828 174.900 -0.052 0.000 0.975 250 G CA 0.288 45.361 45.100 -0.045 0.000 0.644 250 G HN 0.716 nan 8.290 nan 0.000 0.537 251 D N 0.858 121.213 120.400 -0.075 0.000 2.390 251 D HA 0.441 5.081 4.640 -0.000 0.000 0.249 251 D C 0.637 176.897 176.300 -0.068 0.000 1.144 251 D CA 0.032 53.981 54.000 -0.085 0.000 0.880 251 D CB 1.090 41.802 40.800 -0.147 0.000 1.182 251 D HN 0.550 nan 8.370 nan 0.000 0.451 252 E N 1.199 121.374 120.200 -0.042 0.000 2.338 252 E HA 0.388 4.738 4.350 -0.000 0.000 0.272 252 E C -1.104 175.493 176.600 -0.004 0.000 1.029 252 E CA -0.408 55.980 56.400 -0.020 0.000 0.872 252 E CB 0.880 30.574 29.700 -0.010 0.000 1.015 252 E HN 0.111 nan 8.360 nan 0.000 0.417 253 V N 3.299 123.220 119.914 0.011 0.000 3.159 253 V HA 0.449 4.569 4.120 -0.000 0.000 0.308 253 V C -1.272 174.848 176.094 0.045 0.000 1.190 253 V CA -0.601 61.731 62.300 0.054 0.000 1.037 253 V CB 2.328 34.198 31.823 0.078 0.000 1.060 253 V HN 0.879 nan 8.190 nan 0.000 0.437 254 E N 1.888 122.124 120.200 0.060 0.000 2.277 254 E HA 0.611 4.961 4.350 -0.000 0.000 0.266 254 E C -1.398 175.213 176.600 0.018 0.000 0.901 254 E CA -0.685 55.730 56.400 0.025 0.000 0.782 254 E CB 2.219 31.927 29.700 0.013 0.000 1.228 254 E HN 0.567 nan 8.360 nan 0.000 0.424 255 I N 3.330 123.896 120.570 -0.005 0.000 2.428 255 I HA 0.239 4.409 4.170 -0.000 0.000 0.279 255 I C -0.877 175.217 176.117 -0.037 0.000 1.040 255 I CA -0.686 60.603 61.300 -0.018 0.000 1.171 255 I CB 1.071 39.059 38.000 -0.020 0.000 1.312 255 I HN 0.123 nan 8.210 nan 0.000 0.470 256 V N 4.711 124.595 119.914 -0.049 0.000 2.472 256 V HA 0.925 5.045 4.120 -0.000 0.000 0.290 256 V C 0.587 176.631 176.094 -0.084 0.000 1.037 256 V CA -0.539 61.717 62.300 -0.073 0.000 0.908 256 V CB 1.065 32.838 31.823 -0.083 0.000 0.985 256 V HN 0.991 nan 8.190 nan 0.000 0.454 257 G N 2.435 111.176 108.800 -0.099 0.000 2.674 257 G HA2 0.107 4.067 3.960 -0.000 0.000 0.686 257 G HA3 0.107 4.067 3.960 -0.000 0.000 0.686 257 G C -0.246 174.605 174.900 -0.082 0.000 1.195 257 G CA -0.406 44.632 45.100 -0.104 0.000 0.776 257 G HN 1.328 nan 8.290 nan 0.000 0.654 258 L N -1.578 119.595 121.223 -0.083 0.000 3.530 258 L HA -0.300 4.040 4.340 -0.000 0.000 0.357 258 L C 2.106 178.942 176.870 -0.056 0.000 2.051 258 L CA 2.274 57.076 54.840 -0.063 0.000 2.804 258 L CB -1.783 40.246 42.059 -0.050 0.000 1.640 258 L HN 2.443 nan 8.230 nan 0.000 0.757 259 A N 1.099 123.886 122.820 -0.055 0.000 2.406 259 A HA 0.426 4.746 4.320 -0.000 0.000 0.243 259 A C -0.744 176.808 177.584 -0.054 0.000 1.082 259 A CA -0.010 51.998 52.037 -0.048 0.000 0.786 259 A CB -0.214 18.759 19.000 -0.044 0.000 1.029 259 A HN 0.341 nan 8.150 nan 0.000 0.495 260 P HA -0.009 nan 4.420 nan 0.000 0.223 260 P C 0.011 177.280 177.300 -0.050 0.000 1.151 260 P CA 1.147 64.220 63.100 -0.045 0.000 0.787 260 P CB 0.300 31.979 31.700 -0.034 0.000 0.788 261 E N -1.435 118.735 120.200 -0.049 0.000 2.356 261 E HA 0.273 4.623 4.350 -0.000 0.000 0.275 261 E C -0.839 175.730 176.600 -0.051 0.000 0.904 261 E CA -0.617 55.753 56.400 -0.050 0.000 0.757 261 E CB 1.747 31.424 29.700 -0.038 0.000 1.232 261 E HN -0.294 nan 8.360 nan 0.000 0.442 262 T N 2.226 116.747 114.554 -0.056 0.000 2.752 262 T HA 0.169 4.519 4.350 -0.000 0.000 0.295 262 T C 0.165 174.843 174.700 -0.037 0.000 0.923 262 T CA -0.000 62.069 62.100 -0.052 0.000 1.112 262 T CB 0.125 68.958 68.868 -0.058 0.000 0.884 262 T HN 0.302 nan 8.240 nan 0.000 0.525 263 R N 2.848 123.328 120.500 -0.032 0.000 2.500 263 R HA 0.543 4.883 4.340 -0.000 0.000 0.275 263 R C -0.207 176.082 176.300 -0.018 0.000 1.051 263 R CA -0.696 55.389 56.100 -0.024 0.000 1.088 263 R CB 0.790 31.075 30.300 -0.024 0.000 1.063 263 R HN 0.459 nan 8.270 nan 0.000 0.511 264 R N 1.983 122.474 120.500 -0.014 0.000 2.621 264 R HA 0.392 4.732 4.340 -0.000 0.000 0.284 264 R C -1.362 174.932 176.300 -0.009 0.000 0.998 264 R CA -0.096 55.999 56.100 -0.008 0.000 0.895 264 R CB 1.809 32.105 30.300 -0.007 0.000 1.195 264 R HN 1.089 nan 8.270 nan 0.000 0.450 265 T N -1.218 113.332 114.554 -0.007 0.000 2.606 265 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 265 T C -1.000 173.692 174.700 -0.013 0.000 1.074 265 T CA -0.529 61.564 62.100 -0.012 0.000 1.140 265 T CB 1.168 70.026 68.868 -0.016 0.000 1.631 265 T HN 0.219 nan 8.240 nan 0.000 0.464 266 V N 0.802 120.704 119.914 -0.019 0.000 2.925 266 V HA 0.574 4.694 4.120 -0.000 0.000 0.311 266 V C -0.359 175.714 176.094 -0.035 0.000 1.104 266 V CA -0.961 61.323 62.300 -0.026 0.000 0.954 266 V CB 2.255 34.062 31.823 -0.025 0.000 1.022 266 V HN 0.893 nan 8.190 nan 0.000 0.427 267 V N 3.099 122.984 119.914 -0.049 0.000 2.521 267 V HA 0.154 4.274 4.120 -0.000 0.000 0.286 267 V C 1.090 177.154 176.094 -0.049 0.000 1.034 267 V CA 0.424 62.689 62.300 -0.059 0.000 1.045 267 V CB 0.892 32.660 31.823 -0.091 0.000 0.974 267 V HN 1.071 nan 8.190 nan 0.000 0.480 268 T N 2.460 116.988 114.554 -0.043 0.000 3.092 268 T HA 0.490 4.840 4.350 -0.000 0.000 0.258 268 T C 0.530 175.212 174.700 -0.031 0.000 1.031 268 T CA 0.458 62.538 62.100 -0.034 0.000 0.925 268 T CB 0.324 69.175 68.868 -0.029 0.000 1.036 268 T HN 1.124 nan 8.240 nan 0.000 0.544 269 G N 0.329 109.107 108.800 -0.037 0.000 2.386 269 G HA2 0.428 4.388 3.960 -0.000 0.000 0.302 269 G HA3 0.428 4.388 3.960 -0.000 0.000 0.302 269 G C -2.000 172.881 174.900 -0.032 0.000 1.629 269 G CA -0.714 44.369 45.100 -0.029 0.000 0.917 269 G HN 0.104 nan 8.290 nan 0.000 0.676 270 V N 0.528 120.426 119.914 -0.026 0.000 2.789 270 V HA 0.878 4.998 4.120 -0.000 0.000 0.311 270 V C -0.259 175.832 176.094 -0.004 0.000 1.073 270 V CA -0.651 61.634 62.300 -0.024 0.000 0.921 270 V CB 2.050 33.848 31.823 -0.042 0.000 1.009 270 V HN 1.029 nan 8.190 nan 0.000 0.426 271 E N 3.383 123.586 120.200 0.005 0.000 2.321 271 E HA 0.546 4.896 4.350 -0.000 0.000 0.281 271 E C -1.552 175.053 176.600 0.009 0.000 0.910 271 E CA -0.597 55.814 56.400 0.018 0.000 0.770 271 E CB 2.071 31.794 29.700 0.038 0.000 1.225 271 E HN 0.735 nan 8.360 nan 0.000 0.417 272 M N 4.356 123.960 119.600 0.007 0.000 2.243 272 M HA 0.362 4.842 4.480 -0.000 0.000 0.324 272 M C -0.832 175.483 176.300 0.025 0.000 1.031 272 M CA -0.109 55.161 55.300 -0.049 0.000 0.949 272 M CB 0.658 33.231 32.600 -0.046 0.000 1.615 272 M HN 0.913 nan 8.290 nan 0.000 0.430 273 H N 2.308 121.396 119.070 0.030 0.000 2.820 273 H HA -0.159 4.397 4.556 -0.000 0.000 0.295 273 H C -0.170 175.170 175.328 0.020 0.000 1.187 273 H CA 1.054 57.115 56.048 0.022 0.000 1.144 273 H CB -1.214 28.557 29.762 0.016 0.000 1.354 273 H HN 0.808 nan 8.280 nan 0.000 0.395 274 R N -1.792 118.769 120.500 0.101 0.000 3.333 274 R HA -0.210 4.130 4.340 -0.000 0.000 0.256 274 R C -0.480 175.862 176.300 0.068 0.000 1.010 274 R CA 1.443 57.588 56.100 0.075 0.000 0.680 274 R CB -1.326 29.009 30.300 0.060 0.000 1.102 274 R HN 0.682 nan 8.270 nan 0.000 0.440 275 K N 0.065 120.506 120.400 0.069 0.000 2.793 275 K HA 0.258 4.578 4.320 -0.000 0.000 0.269 275 K C -0.159 176.467 176.600 0.044 0.000 1.124 275 K CA 0.130 56.450 56.287 0.054 0.000 1.074 275 K CB 0.695 33.232 32.500 0.061 0.000 1.322 275 K HN 0.177 nan 8.250 nan 0.000 0.532 276 T N 1.863 116.437 114.554 0.032 0.000 2.326 276 T HA -0.134 4.216 4.350 -0.000 0.000 0.179 276 T C 0.263 174.974 174.700 0.018 0.000 1.021 276 T CA 0.637 62.749 62.100 0.021 0.000 1.223 276 T CB -0.277 68.600 68.868 0.015 0.000 0.968 276 T HN 0.560 nan 8.240 nan 0.000 0.417 277 L N 3.976 125.205 121.223 0.010 0.000 2.362 277 L HA 0.248 4.588 4.340 -0.000 0.000 0.275 277 L C 1.728 178.594 176.870 -0.007 0.000 0.998 277 L CA -0.966 53.877 54.840 0.005 0.000 0.820 277 L CB 1.720 43.782 42.059 0.004 0.000 1.270 277 L HN 0.753 nan 8.230 nan 0.000 0.415 278 Q N 2.414 122.210 119.800 -0.006 0.000 1.993 278 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 278 Q C 0.061 176.046 176.000 -0.025 0.000 0.984 278 Q CA 1.356 57.150 55.803 -0.014 0.000 0.837 278 Q CB 0.107 28.839 28.738 -0.009 0.000 0.902 278 Q HN 0.621 nan 8.270 nan 0.000 0.423 279 E N -0.472 119.714 120.200 -0.022 0.000 2.314 279 E HA 0.571 4.921 4.350 -0.000 0.000 0.272 279 E C -1.357 175.228 176.600 -0.024 0.000 0.884 279 E CA -0.480 55.900 56.400 -0.034 0.000 0.753 279 E CB 2.108 31.790 29.700 -0.031 0.000 1.213 279 E HN 0.318 nan 8.360 nan 0.000 0.432 280 G N 3.299 112.076 108.800 -0.037 0.000 2.388 280 G HA2 0.638 4.598 3.960 -0.000 0.000 0.330 280 G HA3 0.638 4.598 3.960 -0.000 0.000 0.330 280 G C -0.421 174.484 174.900 0.008 0.000 1.142 280 G CA -0.548 44.545 45.100 -0.011 0.000 0.908 280 G HN 0.516 nan 8.290 nan 0.000 0.473 281 I N -0.709 119.882 120.570 0.035 0.000 3.042 281 I HA 0.844 5.014 4.170 -0.000 0.000 0.310 281 I C 0.549 176.711 176.117 0.074 0.000 1.117 281 I CA -1.569 59.766 61.300 0.057 0.000 1.003 281 I CB 2.070 40.092 38.000 0.037 0.000 1.228 281 I HN 0.681 nan 8.210 nan 0.000 0.443 282 A N 2.350 125.220 122.820 0.083 0.000 2.608 282 A HA 0.328 4.648 4.320 -0.000 0.000 0.239 282 A C 1.402 179.011 177.584 0.041 0.000 1.018 282 A CA 1.126 53.202 52.037 0.065 0.000 0.766 282 A CB -1.239 17.789 19.000 0.046 0.000 0.928 282 A HN 2.235 nan 8.150 nan 0.000 0.512 283 G N 1.933 110.753 108.800 0.034 0.000 2.157 283 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.248 283 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.248 283 G C -0.175 174.738 174.900 0.023 0.000 0.979 283 G CA 0.382 45.496 45.100 0.023 0.000 0.650 283 G HN 0.907 nan 8.290 nan 0.000 0.529 284 D N 0.558 120.975 120.400 0.029 0.000 2.177 284 D HA 0.381 5.021 4.640 -0.000 0.000 0.247 284 D C -0.061 176.239 176.300 -0.001 0.000 1.063 284 D CA -0.441 53.568 54.000 0.014 0.000 0.867 284 D CB 0.665 41.477 40.800 0.020 0.000 1.168 284 D HN 0.048 nan 8.370 nan 0.000 0.445 285 N N 1.605 120.278 118.700 -0.045 0.000 2.469 285 N HA 0.201 4.941 4.740 -0.000 0.000 0.239 285 N C -0.226 175.227 175.510 -0.096 0.000 1.053 285 N CA -0.138 52.873 53.050 -0.066 0.000 0.937 285 N CB 0.997 39.423 38.487 -0.101 0.000 1.163 285 N HN 0.247 nan 8.380 nan 0.000 0.509 286 V N -0.270 119.625 119.914 -0.031 0.000 3.184 286 V HA 1.010 5.130 4.120 -0.000 0.000 0.308 286 V C 0.280 176.384 176.094 0.017 0.000 1.243 286 V CA -0.864 61.424 62.300 -0.020 0.000 1.058 286 V CB 1.513 33.337 31.823 0.002 0.000 1.183 286 V HN 0.407 nan 8.190 nan 0.000 0.471 287 G N -0.737 108.078 108.800 0.025 0.000 2.682 287 G HA2 0.678 4.638 3.960 -0.000 0.000 0.300 287 G HA3 0.678 4.638 3.960 -0.000 0.000 0.300 287 G C -1.689 173.216 174.900 0.008 0.000 1.391 287 G CA -0.567 44.558 45.100 0.043 0.000 0.990 287 G HN 1.145 nan 8.290 nan 0.000 0.501 288 V N 1.614 121.512 119.914 -0.027 0.000 2.841 288 V HA 0.656 4.776 4.120 -0.000 0.000 0.310 288 V C -0.197 175.845 176.094 -0.086 0.000 1.090 288 V CA -0.812 61.462 62.300 -0.044 0.000 0.930 288 V CB 1.700 33.510 31.823 -0.022 0.000 1.014 288 V HN 0.902 nan 8.190 nan 0.000 0.425 289 L N 3.115 124.294 121.223 -0.074 0.000 2.334 289 L HA 0.887 5.227 4.340 -0.000 0.000 0.273 289 L C -1.094 175.738 176.870 -0.063 0.000 1.013 289 L CA -0.744 54.044 54.840 -0.088 0.000 0.816 289 L CB 1.555 43.571 42.059 -0.071 0.000 1.278 289 L HN 0.277 nan 8.230 nan 0.000 0.431 290 L N 0.736 121.922 121.223 -0.062 0.000 2.301 290 L HA 0.639 4.979 4.340 -0.000 0.000 0.264 290 L C -0.232 176.615 176.870 -0.038 0.000 1.016 290 L CA -0.771 54.042 54.840 -0.045 0.000 0.821 290 L CB 1.536 43.572 42.059 -0.039 0.000 1.346 290 L HN 0.705 nan 8.230 nan 0.000 0.429 291 R N -0.079 120.402 120.500 -0.030 0.000 2.265 291 R HA 0.518 4.858 4.340 -0.000 0.000 0.319 291 R C 0.484 176.770 176.300 -0.023 0.000 1.006 291 R CA 0.262 56.347 56.100 -0.025 0.000 0.880 291 R CB 1.039 31.326 30.300 -0.022 0.000 1.077 291 R HN 0.970 nan 8.270 nan 0.000 0.454 292 G N 1.609 110.396 108.800 -0.022 0.000 2.256 292 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.272 292 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.272 292 G C -0.260 174.627 174.900 -0.022 0.000 1.076 292 G CA 0.213 45.302 45.100 -0.019 0.000 0.882 292 G HN 0.529 nan 8.290 nan 0.000 0.497 293 V N -1.674 118.224 119.914 -0.027 0.000 2.447 293 V HA 0.868 4.988 4.120 -0.000 0.000 0.292 293 V C 0.510 176.585 176.094 -0.032 0.000 1.021 293 V CA -0.433 61.848 62.300 -0.030 0.000 0.850 293 V CB 1.064 32.864 31.823 -0.038 0.000 1.005 293 V HN 1.402 nan 8.190 nan 0.000 0.426 294 S N 4.438 120.123 115.700 -0.026 0.000 2.593 294 S HA 0.300 4.770 4.470 -0.000 0.000 0.269 294 S C 1.111 175.694 174.600 -0.028 0.000 1.334 294 S CA -0.230 57.956 58.200 -0.022 0.000 1.015 294 S CB 1.276 64.467 63.200 -0.016 0.000 0.912 294 S HN 0.934 nan 8.310 nan 0.000 0.541 295 R N 1.019 121.505 120.500 -0.023 0.000 2.159 295 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 295 R C 2.027 178.316 176.300 -0.018 0.000 1.131 295 R CA 2.005 58.091 56.100 -0.024 0.000 0.982 295 R CB -1.203 29.095 30.300 -0.005 0.000 0.868 295 R HN 0.962 nan 8.270 nan 0.000 0.453 296 E N 0.559 120.750 120.200 -0.014 0.000 2.442 296 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 296 E C 1.303 177.893 176.600 -0.017 0.000 1.030 296 E CA 0.507 56.900 56.400 -0.011 0.000 0.869 296 E CB -0.188 29.507 29.700 -0.008 0.000 0.857 296 E HN 0.629 nan 8.360 nan 0.000 0.505 297 E N -0.597 119.590 120.200 -0.022 0.000 2.476 297 E HA 0.250 4.600 4.350 -0.000 0.000 0.191 297 E C -0.536 176.047 176.600 -0.028 0.000 1.064 297 E CA -0.071 56.314 56.400 -0.024 0.000 0.866 297 E CB 0.790 30.475 29.700 -0.025 0.000 0.952 297 E HN 0.284 nan 8.360 nan 0.000 0.492 298 V N 1.101 120.997 119.914 -0.030 0.000 3.048 298 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 298 V C -1.308 174.769 176.094 -0.027 0.000 1.214 298 V CA -0.981 61.300 62.300 -0.033 0.000 0.984 298 V CB 2.393 34.190 31.823 -0.043 0.000 1.054 298 V HN 0.194 nan 8.190 nan 0.000 0.430 299 E N 1.330 121.516 120.200 -0.023 0.000 2.422 299 E HA 0.466 4.816 4.350 -0.000 0.000 0.280 299 E C -0.685 175.909 176.600 -0.009 0.000 1.091 299 E CA -1.151 55.242 56.400 -0.012 0.000 0.849 299 E CB 0.743 30.439 29.700 -0.008 0.000 1.353 299 E HN 0.678 nan 8.360 nan 0.000 0.449 300 R N 0.273 120.774 120.500 0.002 0.000 2.678 300 R HA 0.246 4.586 4.340 -0.000 0.000 0.264 300 R C 0.874 177.171 176.300 -0.004 0.000 0.995 300 R CA 1.946 58.049 56.100 0.006 0.000 1.098 300 R CB -0.418 29.891 30.300 0.015 0.000 0.949 300 R HN 1.085 nan 8.270 nan 0.000 0.422 301 G N 1.498 110.297 108.800 -0.001 0.000 2.317 301 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.227 301 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.227 301 G C 0.202 175.092 174.900 -0.017 0.000 1.042 301 G CA 0.283 45.380 45.100 -0.006 0.000 0.623 301 G HN 0.656 nan 8.290 nan 0.000 0.509 302 Q N -0.241 119.544 119.800 -0.024 0.000 2.526 302 Q HA 0.617 4.957 4.340 -0.000 0.000 0.207 302 Q C -0.413 175.566 176.000 -0.036 0.000 1.078 302 Q CA 0.443 56.224 55.803 -0.037 0.000 1.041 302 Q CB 1.676 30.393 28.738 -0.035 0.000 1.228 302 Q HN 0.552 nan 8.270 nan 0.000 0.603 303 V N 1.245 121.130 119.914 -0.048 0.000 3.048 303 V HA 0.459 4.579 4.120 -0.000 0.000 0.303 303 V C -1.702 174.357 176.094 -0.057 0.000 1.214 303 V CA -0.763 61.502 62.300 -0.060 0.000 0.984 303 V CB 2.080 33.856 31.823 -0.079 0.000 1.054 303 V HN 0.595 nan 8.190 nan 0.000 0.430 304 L N 3.782 124.972 121.223 -0.056 0.000 2.365 304 L HA 1.101 5.441 4.340 -0.000 0.000 0.273 304 L C -0.543 176.287 176.870 -0.067 0.000 1.000 304 L CA -0.420 54.422 54.840 0.003 0.000 0.819 304 L CB 1.475 43.592 42.059 0.097 0.000 1.284 304 L HN 0.854 nan 8.230 nan 0.000 0.418 305 A N 2.607 125.435 122.820 0.013 0.000 2.581 305 A HA 0.457 4.777 4.320 -0.000 0.000 0.290 305 A C -0.927 176.768 177.584 0.185 0.000 1.119 305 A CA -0.914 51.117 52.037 -0.010 0.000 0.670 305 A CB 1.326 20.206 19.000 -0.200 0.000 1.280 305 A HN 0.829 nan 8.150 nan 0.000 0.425 306 K N 0.811 121.359 120.400 0.247 0.000 2.477 306 K HA 0.109 4.429 4.320 -0.000 0.000 0.275 306 K C -2.320 174.331 176.600 0.085 0.000 1.054 306 K CA -0.378 56.013 56.287 0.173 0.000 1.135 306 K CB -0.134 32.450 32.500 0.139 0.000 0.854 306 K HN 0.305 nan 8.250 nan 0.000 0.484 307 P HA -0.060 nan 4.420 nan 0.000 0.264 307 P C 0.512 177.826 177.300 0.024 0.000 1.183 307 P CA 1.158 64.278 63.100 0.034 0.000 0.763 307 P CB 0.657 32.373 31.700 0.026 0.000 0.807 308 G N 2.404 111.211 108.800 0.012 0.000 2.245 308 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 308 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 308 G C 1.438 176.344 174.900 0.010 0.000 0.985 308 G CA 0.796 45.901 45.100 0.009 0.000 0.625 308 G HN 0.609 nan 8.290 nan 0.000 0.536 309 S N -0.595 115.112 115.700 0.012 0.000 2.382 309 S HA 0.308 4.778 4.470 -0.000 0.000 0.228 309 S C 1.115 175.714 174.600 -0.002 0.000 1.027 309 S CA 1.429 59.633 58.200 0.007 0.000 0.991 309 S CB 0.343 63.547 63.200 0.007 0.000 0.823 309 S HN 1.403 nan 8.310 nan 0.000 0.469 310 I N 0.690 121.254 120.570 -0.010 0.000 3.006 310 I HA 0.456 4.626 4.170 -0.000 0.000 0.306 310 I C -1.321 174.786 176.117 -0.016 0.000 1.250 310 I CA -0.592 60.703 61.300 -0.008 0.000 0.996 310 I CB 2.152 40.133 38.000 -0.031 0.000 1.261 310 I HN 0.386 nan 8.210 nan 0.000 0.442 311 T N 2.229 116.788 114.554 0.008 0.000 2.916 311 T HA 0.678 5.028 4.350 -0.000 0.000 0.292 311 T C -2.956 171.573 174.700 -0.285 0.000 1.064 311 T CA -1.931 60.105 62.100 -0.107 0.000 1.011 311 T CB 1.719 70.526 68.868 -0.101 0.000 1.152 311 T HN 0.328 nan 8.240 nan 0.000 0.510 312 P HA 0.589 nan 4.420 nan 0.000 0.288 312 P C -1.327 175.482 177.300 -0.819 0.000 1.267 312 P CA -0.227 62.602 63.100 -0.453 0.000 0.815 312 P CB 0.604 32.139 31.700 -0.275 0.000 0.989 313 H N -0.617 118.377 119.070 -0.127 0.000 2.990 313 H HA 0.512 5.068 4.556 0.000 0.000 0.343 313 H C 0.647 175.920 175.328 -0.091 0.000 1.270 313 H CA -0.473 55.520 56.048 -0.091 0.000 1.118 313 H CB 1.610 31.326 29.762 -0.076 0.000 1.861 313 H HN 0.332 nan 8.280 nan 0.000 0.544 314 T N -3.567 111.050 114.554 0.105 0.000 3.010 314 T HA 0.364 4.714 4.350 -0.000 0.000 0.253 314 T C 0.541 175.297 174.700 0.093 0.000 0.939 314 T CA 0.231 62.362 62.100 0.052 0.000 0.910 314 T CB 0.109 68.979 68.868 0.003 0.000 1.226 314 T HN 0.605 nan 8.240 nan 0.000 0.508 315 K N 1.281 121.747 120.400 0.109 0.000 2.292 315 K HA 0.784 5.104 4.320 -0.000 0.000 0.257 315 K C -0.842 175.840 176.600 0.137 0.000 0.940 315 K CA -1.147 55.161 56.287 0.034 0.000 0.811 315 K CB 0.900 33.396 32.500 -0.006 0.000 1.120 315 K HN 0.584 nan 8.250 nan 0.000 0.428 316 F N -1.565 118.354 119.950 -0.052 0.000 2.779 316 F HA 0.692 5.219 4.527 -0.000 0.000 0.316 316 F C -0.478 175.336 175.800 0.023 0.000 1.164 316 F CA -1.188 56.787 58.000 -0.040 0.000 0.924 316 F CB 1.270 40.225 39.000 -0.074 0.000 1.348 316 F HN 0.540 nan 8.300 nan 0.000 0.467 317 E N 0.902 121.234 120.200 0.220 0.000 2.221 317 E HA 0.810 5.160 4.350 -0.000 0.000 0.268 317 E C -1.455 175.339 176.600 0.324 0.000 0.933 317 E CA -1.207 55.279 56.400 0.143 0.000 0.809 317 E CB 2.081 31.848 29.700 0.112 0.000 1.190 317 E HN 1.048 nan 8.360 nan 0.000 0.406 318 A N 1.860 124.800 122.820 0.199 0.000 2.604 318 A HA 0.439 4.759 4.320 -0.000 0.000 0.295 318 A C -1.287 176.308 177.584 0.018 0.000 1.067 318 A CA -0.614 51.577 52.037 0.256 0.000 0.683 318 A CB 1.910 21.278 19.000 0.614 0.000 1.281 318 A HN 0.394 nan 8.150 nan 0.000 0.407 319 S N 0.742 116.472 115.700 0.050 0.000 2.429 319 S HA 0.667 5.137 4.470 -0.000 0.000 0.302 319 S C -0.436 174.124 174.600 -0.067 0.000 1.115 319 S CA -0.347 57.834 58.200 -0.031 0.000 1.095 319 S CB 0.122 63.331 63.200 0.015 0.000 0.987 319 S HN 1.161 nan 8.310 nan 0.000 0.474 320 V N 4.637 124.477 119.914 -0.124 0.000 3.113 320 V HA 0.626 4.746 4.120 -0.000 0.000 0.316 320 V C -1.259 174.867 176.094 0.053 0.000 1.125 320 V CA -0.972 61.284 62.300 -0.074 0.000 1.026 320 V CB 1.808 33.567 31.823 -0.106 0.000 1.080 320 V HN 0.858 nan 8.190 nan 0.000 0.444 321 Y N 0.716 120.989 120.300 -0.044 0.000 2.354 321 Y HA 0.713 5.263 4.550 -0.000 0.000 0.330 321 Y C -0.926 174.988 175.900 0.024 0.000 1.011 321 Y CA -0.802 57.289 58.100 -0.015 0.000 1.099 321 Y CB 1.769 40.197 38.460 -0.052 0.000 1.179 321 Y HN 0.392 nan 8.280 nan 0.000 0.442 322 V N 7.390 126.911 119.914 -0.656 0.000 2.465 322 V HA 0.228 4.348 4.120 -0.000 0.000 0.279 322 V C -0.063 175.543 176.094 -0.813 0.000 1.045 322 V CA -0.701 61.322 62.300 -0.462 0.000 0.938 322 V CB 0.992 32.732 31.823 -0.139 0.000 0.986 322 V HN 0.653 nan 8.190 nan 0.000 0.467 323 L N 5.928 126.900 121.223 -0.419 0.000 2.453 323 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 323 L C 0.864 177.626 176.870 -0.181 0.000 1.182 323 L CA 0.679 55.377 54.840 -0.237 0.000 0.858 323 L CB 0.058 42.077 42.059 -0.067 0.000 1.120 323 L HN 0.566 nan 8.230 nan 0.000 0.474 324 K N 2.772 123.116 120.400 -0.094 0.000 2.276 324 K HA 0.002 4.322 4.320 -0.000 0.000 0.259 324 K C 0.950 177.492 176.600 -0.096 0.000 1.001 324 K CA -0.400 55.842 56.287 -0.075 0.000 0.927 324 K CB 0.619 33.112 32.500 -0.011 0.000 0.969 324 K HN 0.411 nan 8.250 nan 0.000 0.490 325 K N 2.062 122.385 120.400 -0.129 0.000 2.074 325 K HA -0.280 4.040 4.320 -0.000 0.000 0.209 325 K C 2.382 178.882 176.600 -0.165 0.000 1.048 325 K CA 2.260 58.417 56.287 -0.218 0.000 0.926 325 K CB -0.073 32.278 32.500 -0.248 0.000 0.713 325 K HN 0.678 nan 8.250 nan 0.000 0.444 326 E N 1.157 121.301 120.200 -0.093 0.000 2.110 326 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 326 E C 1.479 178.055 176.600 -0.041 0.000 0.988 326 E CA 1.774 58.140 56.400 -0.056 0.000 0.804 326 E CB -0.659 29.023 29.700 -0.029 0.000 0.745 326 E HN 0.692 nan 8.360 nan 0.000 0.458 327 E N -1.178 119.004 120.200 -0.029 0.000 2.512 327 E HA 0.305 4.655 4.350 -0.000 0.000 0.195 327 E C 1.260 177.843 176.600 -0.029 0.000 1.083 327 E CA 0.180 56.574 56.400 -0.010 0.000 0.873 327 E CB 0.137 29.856 29.700 0.030 0.000 0.897 327 E HN 0.608 nan 8.360 nan 0.000 0.514 328 G N 0.724 109.489 108.800 -0.058 0.000 2.175 328 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 328 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 328 G C 0.640 175.494 174.900 -0.077 0.000 0.982 328 G CA -0.301 44.762 45.100 -0.062 0.000 0.641 328 G HN 0.527 nan 8.290 nan 0.000 0.527 329 G N -0.308 108.438 108.800 -0.091 0.000 2.583 329 G HA2 0.474 4.434 3.960 -0.000 0.000 0.275 329 G HA3 0.474 4.434 3.960 -0.000 0.000 0.275 329 G C 0.601 175.438 174.900 -0.105 0.000 1.342 329 G CA -0.082 44.966 45.100 -0.086 0.000 1.030 329 G HN 0.606 nan 8.290 nan 0.000 0.520 330 R N -1.515 118.955 120.500 -0.051 0.000 2.924 330 R HA 0.058 4.398 4.340 -0.000 0.000 0.272 330 R C 1.207 177.459 176.300 -0.080 0.000 1.012 330 R CA 0.008 56.110 56.100 0.003 0.000 1.171 330 R CB 0.203 30.522 30.300 0.032 0.000 1.086 330 R HN 0.664 nan 8.270 nan 0.000 0.489 331 H N -0.786 118.276 119.070 -0.014 0.000 2.516 331 H HA 0.050 4.606 4.556 -0.000 0.000 0.284 331 H C 0.575 175.890 175.328 -0.022 0.000 0.999 331 H CA 1.112 57.151 56.048 -0.015 0.000 1.303 331 H CB 0.789 30.547 29.762 -0.007 0.000 1.452 331 H HN 0.603 nan 8.280 nan 0.000 0.530 332 T N -1.539 113.071 114.554 0.092 0.000 2.804 332 T HA 0.583 4.933 4.350 -0.000 0.000 0.272 332 T C 0.805 175.479 174.700 -0.044 0.000 0.986 332 T CA -0.645 61.466 62.100 0.019 0.000 0.999 332 T CB 1.885 70.772 68.868 0.031 0.000 1.307 332 T HN 0.159 nan 8.240 nan 0.000 0.586 333 G N -0.589 108.132 108.800 -0.131 0.000 2.642 333 G HA2 0.728 4.688 3.960 -0.000 0.000 0.291 333 G HA3 0.728 4.688 3.960 -0.000 0.000 0.291 333 G C -1.214 173.469 174.900 -0.361 0.000 1.345 333 G CA -1.127 43.794 45.100 -0.297 0.000 1.043 333 G HN 0.903 nan 8.290 nan 0.000 0.528 334 F N -2.926 116.593 119.950 -0.717 0.000 2.685 334 F HA 0.832 5.359 4.527 0.000 0.000 0.315 334 F C -1.659 173.531 175.800 -1.018 0.000 1.126 334 F CA -1.967 55.537 58.000 -0.827 0.000 0.950 334 F CB 1.234 39.698 39.000 -0.893 0.000 1.360 334 F HN 0.376 nan 8.300 nan 0.000 0.469 335 F N -0.586 119.414 119.950 0.082 0.000 2.740 335 F HA 0.683 5.210 4.527 -0.000 0.000 0.357 335 F C 0.396 176.280 175.800 0.140 0.000 1.141 335 F CA -1.545 56.475 58.000 0.033 0.000 1.044 335 F CB 0.958 39.961 39.000 0.005 0.000 1.430 335 F HN 0.523 nan 8.300 nan 0.000 0.518 336 S N 0.114 115.980 115.700 0.278 0.000 2.558 336 S HA 0.349 4.819 4.470 -0.000 0.000 0.287 336 S C 0.988 175.700 174.600 0.186 0.000 1.321 336 S CA 1.038 59.339 58.200 0.170 0.000 1.048 336 S CB 0.160 63.427 63.200 0.111 0.000 0.844 336 S HN 1.209 nan 8.310 nan 0.000 0.512 337 G N 1.024 109.906 108.800 0.136 0.000 2.234 337 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.235 337 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.235 337 G C 0.031 175.035 174.900 0.173 0.000 0.997 337 G CA 0.046 45.222 45.100 0.127 0.000 0.623 337 G HN 0.759 nan 8.290 nan 0.000 0.514 338 Y N 2.430 122.760 120.300 0.049 0.000 2.895 338 Y HA 0.350 4.900 4.550 0.000 0.000 0.334 338 Y C 0.927 176.805 175.900 -0.036 0.000 1.261 338 Y CA 0.370 58.457 58.100 -0.022 0.000 1.560 338 Y CB 0.324 38.693 38.460 -0.151 0.000 1.253 338 Y HN 0.377 nan 8.280 nan 0.000 0.582 339 R N 8.444 128.797 120.500 -0.244 0.000 2.494 339 R HA 0.389 4.729 4.340 -0.000 0.000 0.284 339 R C -2.841 173.215 176.300 -0.406 0.000 1.525 339 R CA -1.641 54.318 56.100 -0.235 0.000 1.460 339 R CB 0.473 30.739 30.300 -0.056 0.000 1.134 339 R HN 0.484 nan 8.270 nan 0.000 0.592 340 P HA 0.326 nan 4.420 nan 0.000 0.325 340 P C -1.171 175.919 177.300 -0.349 0.000 1.298 340 P CA -0.624 62.108 63.100 -0.614 0.000 0.771 340 P CB 0.899 32.003 31.700 -0.992 0.000 1.389 341 Q N -0.691 118.925 119.800 -0.306 0.000 2.256 341 Q HA 0.516 4.856 4.340 -0.000 0.000 0.257 341 Q C -1.197 174.740 176.000 -0.106 0.000 0.936 341 Q CA -0.188 55.613 55.803 -0.003 0.000 0.903 341 Q CB 0.447 29.370 28.738 0.307 0.000 1.263 341 Q HN 0.311 nan 8.270 nan 0.000 0.440 342 F N 2.677 122.764 119.950 0.229 0.000 2.449 342 F HA 0.360 4.887 4.527 -0.000 0.000 0.342 342 F C -0.611 175.302 175.800 0.188 0.000 1.127 342 F CA -0.798 57.338 58.000 0.226 0.000 0.975 342 F CB 0.955 40.060 39.000 0.175 0.000 1.146 342 F HN 0.331 nan 8.300 nan 0.000 0.444 343 Y N 3.281 123.568 120.300 -0.020 0.000 2.335 343 Y HA 0.444 4.994 4.550 -0.000 0.000 0.339 343 Y C -0.748 175.039 175.900 -0.189 0.000 0.987 343 Y CA -1.659 56.429 58.100 -0.020 0.000 1.140 343 Y CB 0.716 39.174 38.460 -0.004 0.000 1.173 343 Y HN 0.393 nan 8.280 nan 0.000 0.486 344 F N 4.195 124.251 119.950 0.176 0.000 2.363 344 F HA 0.483 5.010 4.527 -0.000 0.000 0.366 344 F C 0.667 176.510 175.800 0.072 0.000 1.083 344 F CA -0.824 57.245 58.000 0.115 0.000 1.176 344 F CB 0.561 39.570 39.000 0.015 0.000 1.432 344 F HN 0.589 nan 8.300 nan 0.000 0.482 345 R N -0.682 119.944 120.500 0.210 0.000 2.376 345 R HA -0.246 4.094 4.340 -0.000 0.000 0.082 345 R C 1.678 178.049 176.300 0.117 0.000 0.917 345 R CA 1.904 58.086 56.100 0.136 0.000 1.718 345 R CB -1.454 28.912 30.300 0.110 0.000 0.497 345 R HN 0.545 nan 8.270 nan 0.000 0.695 346 T N -1.644 112.967 114.554 0.095 0.000 3.015 346 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 346 T C 1.071 175.802 174.700 0.052 0.000 1.057 346 T CA 0.819 62.962 62.100 0.072 0.000 1.066 346 T CB 0.192 69.087 68.868 0.046 0.000 0.959 346 T HN 0.614 nan 8.240 nan 0.000 0.488 347 T N 1.225 115.805 114.554 0.043 0.000 2.729 347 T HA 0.333 4.683 4.350 -0.000 0.000 0.298 347 T C -0.778 173.778 174.700 -0.240 0.000 1.013 347 T CA -0.391 61.687 62.100 -0.037 0.000 0.957 347 T CB 0.853 69.731 68.868 0.016 0.000 1.130 347 T HN 0.418 nan 8.240 nan 0.000 0.526 348 D N 0.181 120.350 120.400 -0.384 0.000 2.738 348 D HA 0.383 5.023 4.640 -0.000 0.000 0.218 348 D C -1.728 174.381 176.300 -0.317 0.000 1.345 348 D CA -0.467 52.992 54.000 -0.902 0.000 0.943 348 D CB 1.647 41.835 40.800 -1.021 0.000 1.514 348 D HN 0.468 nan 8.370 nan 0.000 0.585 349 V N 2.132 121.986 119.914 -0.101 0.000 2.925 349 V HA 0.491 4.611 4.120 -0.000 0.000 0.311 349 V C 0.206 176.438 176.094 0.231 0.000 1.104 349 V CA -0.580 61.765 62.300 0.075 0.000 0.954 349 V CB 2.294 34.192 31.823 0.125 0.000 1.022 349 V HN 0.661 nan 8.190 nan 0.000 0.427 350 T N 2.562 117.218 114.554 0.170 0.000 2.882 350 T HA 0.727 5.077 4.350 -0.000 0.000 0.287 350 T C 0.202 175.036 174.700 0.223 0.000 0.992 350 T CA 0.028 62.258 62.100 0.218 0.000 1.076 350 T CB 1.391 70.313 68.868 0.091 0.000 0.961 350 T HN 1.126 nan 8.240 nan 0.000 0.490 351 G N 0.532 109.544 108.800 0.353 0.000 2.660 351 G HA2 0.611 4.571 3.960 -0.000 0.000 0.290 351 G HA3 0.611 4.571 3.960 -0.000 0.000 0.290 351 G C -1.231 173.765 174.900 0.160 0.000 1.432 351 G CA -0.768 44.380 45.100 0.080 0.000 0.807 351 G HN 0.815 nan 8.290 nan 0.000 0.485 352 V N -1.158 118.749 119.914 -0.011 0.000 2.555 352 V HA 0.782 4.902 4.120 -0.000 0.000 0.302 352 V C 0.173 176.236 176.094 -0.052 0.000 1.038 352 V CA -1.082 61.217 62.300 -0.001 0.000 0.887 352 V CB 1.234 33.053 31.823 -0.007 0.000 0.991 352 V HN 0.616 nan 8.190 nan 0.000 0.434 353 V N 3.403 123.291 119.914 -0.044 0.000 2.649 353 V HA 0.427 4.547 4.120 -0.000 0.000 0.292 353 V C 0.070 176.098 176.094 -0.110 0.000 1.055 353 V CA -0.046 62.139 62.300 -0.190 0.000 1.023 353 V CB 1.316 32.947 31.823 -0.320 0.000 0.992 353 V HN 1.012 nan 8.190 nan 0.000 0.480 354 Q N 4.091 123.821 119.800 -0.117 0.000 2.558 354 Q HA 0.440 4.780 4.340 -0.000 0.000 0.252 354 Q C -0.948 175.081 176.000 0.047 0.000 1.015 354 Q CA -0.198 55.598 55.803 -0.012 0.000 0.720 354 Q CB 0.806 29.545 28.738 0.002 0.000 1.215 354 Q HN 0.712 nan 8.270 nan 0.000 0.500 355 L N 5.609 126.862 121.223 0.051 0.000 2.499 355 L HA 0.280 4.620 4.340 -0.000 0.000 0.273 355 L C -1.662 175.273 176.870 0.108 0.000 1.195 355 L CA -1.212 53.695 54.840 0.112 0.000 0.882 355 L CB 0.061 42.169 42.059 0.082 0.000 1.133 355 L HN 0.475 nan 8.230 nan 0.000 0.483 356 P HA 0.313 nan 4.420 nan 0.000 0.279 356 P C -2.670 174.672 177.300 0.070 0.000 1.276 356 P CA -1.990 61.166 63.100 0.093 0.000 0.801 356 P CB -0.167 31.594 31.700 0.103 0.000 1.127 357 P HA 0.120 nan 4.420 nan 0.000 0.264 357 P C 0.986 178.311 177.300 0.041 0.000 1.193 357 P CA 1.241 64.367 63.100 0.043 0.000 0.763 357 P CB -0.249 31.472 31.700 0.035 0.000 0.810 358 G N 1.391 110.212 108.800 0.036 0.000 2.279 358 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.223 358 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.223 358 G C -0.127 174.791 174.900 0.031 0.000 1.015 358 G CA -0.175 44.944 45.100 0.030 0.000 0.621 358 G HN 0.550 nan 8.290 nan 0.000 0.506 359 V N 1.410 121.349 119.914 0.041 0.000 2.328 359 V HA 0.525 4.645 4.120 -0.000 0.000 0.278 359 V C 0.829 176.947 176.094 0.040 0.000 1.021 359 V CA 0.208 62.530 62.300 0.036 0.000 0.838 359 V CB 1.337 33.196 31.823 0.058 0.000 0.999 359 V HN 0.464 nan 8.190 nan 0.000 0.447 360 E N 3.930 124.150 120.200 0.033 0.000 2.372 360 E HA 0.319 4.669 4.350 -0.000 0.000 0.201 360 E C 0.356 177.034 176.600 0.129 0.000 0.938 360 E CA 0.227 56.678 56.400 0.084 0.000 0.944 360 E CB 1.047 30.797 29.700 0.084 0.000 0.937 360 E HN 0.657 nan 8.360 nan 0.000 0.495 361 M N 0.670 120.240 119.600 -0.050 0.000 2.520 361 M HA 0.369 4.849 4.480 -0.000 0.000 0.280 361 M C -2.122 173.898 176.300 -0.467 0.000 1.232 361 M CA -0.713 54.377 55.300 -0.350 0.000 0.892 361 M CB 2.205 34.648 32.600 -0.260 0.000 1.728 361 M HN -0.252 nan 8.290 nan 0.000 0.475 362 V N 4.118 123.536 119.914 -0.826 0.000 2.540 362 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 362 V C -0.496 175.177 176.094 -0.702 0.000 1.035 362 V CA -0.536 61.302 62.300 -0.769 0.000 0.873 362 V CB 1.866 33.025 31.823 -1.106 0.000 0.992 362 V HN 0.963 nan 8.190 nan 0.000 0.428 363 M N 4.919 124.289 119.600 -0.384 0.000 2.664 363 M HA 0.557 5.037 4.480 -0.000 0.000 0.314 363 M C -2.726 173.467 176.300 -0.177 0.000 1.200 363 M CA -1.991 53.156 55.300 -0.256 0.000 0.916 363 M CB 1.854 34.348 32.600 -0.177 0.000 1.717 363 M HN 0.292 nan 8.290 nan 0.000 0.470 364 P HA 0.036 nan 4.420 nan 0.000 0.265 364 P C 0.749 177.963 177.300 -0.142 0.000 1.187 364 P CA 1.194 64.217 63.100 -0.129 0.000 0.766 364 P CB 0.391 32.027 31.700 -0.106 0.000 0.820 365 G N 1.670 110.331 108.800 -0.233 0.000 2.268 365 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.240 365 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.240 365 G C 0.123 174.972 174.900 -0.085 0.000 1.010 365 G CA -0.097 44.916 45.100 -0.146 0.000 0.618 365 G HN 0.513 nan 8.290 nan 0.000 0.516 366 D N 0.917 121.243 120.400 -0.124 0.000 2.362 366 D HA 0.361 5.001 4.640 -0.000 0.000 0.238 366 D C 0.538 176.854 176.300 0.028 0.000 1.212 366 D CA 0.353 54.328 54.000 -0.041 0.000 0.902 366 D CB 0.226 40.981 40.800 -0.074 0.000 1.180 366 D HN 0.453 nan 8.370 nan 0.000 0.445 367 N N -0.188 118.563 118.700 0.084 0.000 2.399 367 N HA 0.457 5.197 4.740 -0.000 0.000 0.280 367 N C -1.191 174.359 175.510 0.067 0.000 1.008 367 N CA -0.552 52.572 53.050 0.123 0.000 0.894 367 N CB 1.760 40.331 38.487 0.139 0.000 1.273 367 N HN 0.024 nan 8.380 nan 0.000 0.486 368 V N 0.551 120.491 119.914 0.043 0.000 3.182 368 V HA 0.586 4.706 4.120 -0.000 0.000 0.308 368 V C -0.382 175.675 176.094 -0.062 0.000 1.240 368 V CA -0.668 61.650 62.300 0.031 0.000 1.063 368 V CB 2.295 34.190 31.823 0.120 0.000 1.076 368 V HN 0.533 nan 8.190 nan 0.000 0.446 369 T N 2.930 117.467 114.554 -0.028 0.000 2.949 369 T HA 0.755 5.105 4.350 -0.000 0.000 0.300 369 T C -1.131 173.598 174.700 0.048 0.000 0.988 369 T CA -0.198 61.855 62.100 -0.077 0.000 0.993 369 T CB 0.748 69.626 68.868 0.016 0.000 0.984 369 T HN 0.675 nan 8.240 nan 0.000 0.442 370 F N -0.585 119.438 119.950 0.121 0.000 2.643 370 F HA 0.837 5.364 4.527 -0.000 0.000 0.314 370 F C 0.068 175.881 175.800 0.021 0.000 1.096 370 F CA -1.490 56.560 58.000 0.084 0.000 0.953 370 F CB 0.298 39.372 39.000 0.124 0.000 1.345 370 F HN 0.413 nan 8.300 nan 0.000 0.468 371 T N -0.343 114.408 114.554 0.329 0.000 2.918 371 T HA 0.783 5.133 4.350 -0.000 0.000 0.283 371 T C -0.742 173.937 174.700 -0.035 0.000 1.001 371 T CA -0.683 61.456 62.100 0.065 0.000 1.041 371 T CB 1.657 70.526 68.868 0.002 0.000 1.028 371 T HN 0.703 nan 8.240 nan 0.000 0.511 372 V N 1.006 120.653 119.914 -0.444 0.000 2.888 372 V HA 0.556 4.676 4.120 -0.000 0.000 0.309 372 V C -0.631 175.133 176.094 -0.550 0.000 1.114 372 V CA -0.865 61.093 62.300 -0.571 0.000 0.940 372 V CB 1.994 33.286 31.823 -0.885 0.000 1.021 372 V HN 1.062 nan 8.190 nan 0.000 0.426 373 E N 3.423 123.427 120.200 -0.327 0.000 2.224 373 E HA 0.691 5.041 4.350 -0.000 0.000 0.265 373 E C -1.728 174.769 176.600 -0.171 0.000 0.878 373 E CA -0.572 55.713 56.400 -0.190 0.000 0.759 373 E CB 1.777 31.412 29.700 -0.108 0.000 1.164 373 E HN 0.577 nan 8.360 nan 0.000 0.414 374 L N 4.420 125.574 121.223 -0.115 0.000 2.332 374 L HA 0.465 4.805 4.340 -0.000 0.000 0.269 374 L C 1.655 178.503 176.870 -0.037 0.000 1.016 374 L CA -0.613 54.178 54.840 -0.082 0.000 0.809 374 L CB 1.028 43.049 42.059 -0.064 0.000 1.280 374 L HN 0.663 nan 8.230 nan 0.000 0.447 375 I N -2.112 118.450 120.570 -0.014 0.000 2.353 375 I HA 0.007 4.177 4.170 -0.000 0.000 0.248 375 I C 0.424 176.529 176.117 -0.020 0.000 1.119 375 I CA 1.171 62.465 61.300 -0.011 0.000 1.417 375 I CB -0.350 37.651 38.000 0.002 0.000 1.078 375 I HN 0.460 nan 8.210 nan 0.000 0.421 376 K N 1.353 121.738 120.400 -0.025 0.000 2.328 376 K HA 0.531 4.851 4.320 -0.000 0.000 0.246 376 K C -2.652 173.911 176.600 -0.062 0.000 0.955 376 K CA -2.045 54.218 56.287 -0.039 0.000 0.817 376 K CB 1.619 34.097 32.500 -0.037 0.000 1.208 376 K HN -0.144 nan 8.250 nan 0.000 0.432 377 P HA 0.189 nan 4.420 nan 0.000 0.275 377 P C -0.919 176.297 177.300 -0.141 0.000 1.228 377 P CA -0.443 62.594 63.100 -0.106 0.000 0.786 377 P CB 0.739 32.372 31.700 -0.112 0.000 0.927 378 V N 0.895 120.692 119.914 -0.195 0.000 3.049 378 V HA 0.581 4.701 4.120 -0.000 0.000 0.309 378 V C -0.171 175.766 176.094 -0.262 0.000 1.148 378 V CA -1.252 60.895 62.300 -0.254 0.000 0.990 378 V CB 2.086 33.658 31.823 -0.417 0.000 1.039 378 V HN 0.608 nan 8.190 nan 0.000 0.430 379 A N 4.597 127.282 122.820 -0.225 0.000 2.489 379 A HA 0.576 4.896 4.320 -0.000 0.000 0.289 379 A C -0.452 177.003 177.584 -0.215 0.000 1.216 379 A CA 0.369 52.301 52.037 -0.175 0.000 0.883 379 A CB -0.702 18.220 19.000 -0.131 0.000 1.110 379 A HN 0.683 nan 8.150 nan 0.000 0.523 380 L N 2.543 123.683 121.223 -0.139 0.000 2.333 380 L HA 0.733 5.073 4.340 -0.000 0.000 0.269 380 L C 0.092 176.912 176.870 -0.084 0.000 1.010 380 L CA -0.615 54.106 54.840 -0.199 0.000 0.818 380 L CB 2.086 43.960 42.059 -0.308 0.000 1.306 380 L HN 0.912 nan 8.230 nan 0.000 0.430 381 E N 0.339 120.471 120.200 -0.113 0.000 2.363 381 E HA 0.306 4.656 4.350 -0.000 0.000 0.281 381 E C -1.453 175.118 176.600 -0.049 0.000 0.953 381 E CA -0.933 55.428 56.400 -0.065 0.000 0.778 381 E CB 1.652 31.331 29.700 -0.034 0.000 1.220 381 E HN 0.430 nan 8.360 nan 0.000 0.431 382 E N 0.347 120.526 120.200 -0.035 0.000 2.481 382 E HA 0.196 4.546 4.350 -0.000 0.000 0.263 382 E C 0.988 177.598 176.600 0.016 0.000 0.992 382 E CA 2.346 58.745 56.400 -0.003 0.000 0.938 382 E CB 0.404 30.104 29.700 -0.001 0.000 0.933 382 E HN 0.848 nan 8.360 nan 0.000 0.453 383 G N 2.621 111.446 108.800 0.043 0.000 2.268 383 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.240 383 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.240 383 G C 0.031 174.971 174.900 0.067 0.000 1.010 383 G CA 0.090 45.217 45.100 0.045 0.000 0.618 383 G HN 0.519 nan 8.290 nan 0.000 0.516 384 L N 2.839 124.112 121.223 0.083 0.000 2.615 384 L HA 0.499 4.839 4.340 -0.000 0.000 0.271 384 L C 0.962 177.980 176.870 0.248 0.000 1.183 384 L CA 0.085 55.007 54.840 0.138 0.000 0.933 384 L CB -0.052 42.081 42.059 0.124 0.000 1.199 384 L HN 0.394 nan 8.230 nan 0.000 0.487 385 R N 4.258 124.863 120.500 0.174 0.000 2.615 385 R HA 0.599 4.939 4.340 -0.000 0.000 0.270 385 R C -0.737 175.688 176.300 0.208 0.000 1.081 385 R CA 0.026 56.192 56.100 0.110 0.000 1.154 385 R CB 0.650 30.948 30.300 -0.004 0.000 1.063 385 R HN 0.751 nan 8.270 nan 0.000 0.519 386 F N -1.376 118.523 119.950 -0.084 0.000 3.052 386 F HA 0.748 5.275 4.527 -0.000 0.000 0.323 386 F C -1.884 173.831 175.800 -0.143 0.000 1.178 386 F CA -1.199 56.657 58.000 -0.241 0.000 0.892 386 F CB 0.878 39.455 39.000 -0.706 0.000 1.416 386 F HN 0.538 nan 8.300 nan 0.000 0.488 387 A N 0.565 123.435 122.820 0.084 0.000 2.556 387 A HA 0.878 5.198 4.320 -0.000 0.000 0.294 387 A C -1.728 175.906 177.584 0.083 0.000 1.091 387 A CA -0.841 51.183 52.037 -0.022 0.000 0.704 387 A CB 1.541 20.479 19.000 -0.103 0.000 1.300 387 A HN 0.775 nan 8.150 nan 0.000 0.406 388 I N 0.807 121.345 120.570 -0.053 0.000 2.569 388 I HA 0.726 4.896 4.170 -0.000 0.000 0.296 388 I C 0.099 176.072 176.117 -0.240 0.000 1.028 388 I CA -0.572 60.624 61.300 -0.172 0.000 1.082 388 I CB 2.234 40.138 38.000 -0.161 0.000 1.264 388 I HN 0.887 nan 8.210 nan 0.000 0.429 389 R N 2.916 123.247 120.500 -0.281 0.000 2.680 389 R HA 0.557 4.897 4.340 -0.000 0.000 0.269 389 R C -1.552 174.653 176.300 -0.157 0.000 1.026 389 R CA -0.927 55.034 56.100 -0.231 0.000 0.889 389 R CB 1.760 31.851 30.300 -0.349 0.000 1.241 389 R HN 0.478 nan 8.270 nan 0.000 0.463 390 E N 1.153 121.297 120.200 -0.094 0.000 2.267 390 E HA 0.251 4.601 4.350 -0.000 0.000 0.241 390 E C -0.461 176.125 176.600 -0.023 0.000 0.950 390 E CA -0.242 56.132 56.400 -0.044 0.000 0.776 390 E CB 1.371 31.077 29.700 0.010 0.000 1.207 390 E HN 0.947 nan 8.360 nan 0.000 0.436 391 G N 1.643 110.435 108.800 -0.014 0.000 2.473 391 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.289 391 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.289 391 G C 0.894 175.786 174.900 -0.013 0.000 1.084 391 G CA 0.224 45.326 45.100 0.003 0.000 1.215 391 G HN 0.889 nan 8.290 nan 0.000 0.527 392 G N 0.166 108.952 108.800 -0.024 0.000 2.413 392 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.259 392 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.259 392 G C 0.911 175.748 174.900 -0.105 0.000 1.003 392 G CA 1.383 46.446 45.100 -0.062 0.000 0.629 392 G HN 1.377 nan 8.290 nan 0.000 0.548 393 R N 2.126 122.580 120.500 -0.077 0.000 2.288 393 R HA 0.334 4.674 4.340 -0.000 0.000 0.330 393 R C -0.268 175.969 176.300 -0.104 0.000 1.069 393 R CA 0.315 56.374 56.100 -0.069 0.000 0.941 393 R CB -0.219 30.065 30.300 -0.027 0.000 0.998 393 R HN 0.206 nan 8.270 nan 0.000 0.452 394 T N 4.273 118.754 114.554 -0.121 0.000 2.817 394 T HA 0.047 4.397 4.350 -0.000 0.000 0.295 394 T C 1.450 176.097 174.700 -0.088 0.000 0.958 394 T CA -0.197 61.821 62.100 -0.136 0.000 1.157 394 T CB 0.845 69.636 68.868 -0.127 0.000 0.898 394 T HN 0.588 nan 8.240 nan 0.000 0.536 395 V N 0.908 120.770 119.914 -0.086 0.000 3.612 395 V HA 0.642 4.762 4.120 -0.000 0.000 0.268 395 V C 0.749 176.811 176.094 -0.052 0.000 1.365 395 V CA 0.668 62.935 62.300 -0.054 0.000 1.044 395 V CB -0.045 31.762 31.823 -0.026 0.000 0.820 395 V HN 0.902 nan 8.190 nan 0.000 0.444 396 G N -0.824 107.945 108.800 -0.052 0.000 2.687 396 G HA2 0.856 4.816 3.960 -0.000 0.000 0.291 396 G HA3 0.856 4.816 3.960 -0.000 0.000 0.291 396 G C -1.519 173.354 174.900 -0.045 0.000 1.420 396 G CA -0.329 44.752 45.100 -0.031 0.000 0.796 396 G HN 1.245 nan 8.290 nan 0.000 0.485 397 A N -1.256 121.531 122.820 -0.056 0.000 2.532 397 A HA 0.930 5.250 4.320 -0.000 0.000 0.296 397 A C -0.148 177.237 177.584 -0.332 0.000 1.058 397 A CA 0.375 52.291 52.037 -0.202 0.000 0.729 397 A CB 1.410 20.343 19.000 -0.111 0.000 1.285 397 A HN 2.237 nan 8.150 nan 0.000 0.396 398 G N -0.575 107.710 108.800 -0.859 0.000 2.749 398 G HA2 0.904 4.864 3.960 -0.000 0.000 0.300 398 G HA3 0.904 4.864 3.960 -0.000 0.000 0.300 398 G C -0.869 173.506 174.900 -0.875 0.000 1.352 398 G CA 0.101 44.748 45.100 -0.756 0.000 0.789 398 G HN 2.205 nan 8.290 nan 0.000 0.509 399 V N -2.241 117.534 119.914 -0.231 0.000 2.971 399 V HA 0.784 4.904 4.120 -0.000 0.000 0.309 399 V C -0.386 175.932 176.094 0.372 0.000 1.130 399 V CA -1.019 61.344 62.300 0.105 0.000 0.964 399 V CB 1.473 33.313 31.823 0.028 0.000 1.029 399 V HN 0.786 nan 8.190 nan 0.000 0.427 400 V N 3.948 124.099 119.914 0.395 0.000 2.572 400 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 400 V C 1.670 177.871 176.094 0.178 0.000 1.039 400 V CA 0.886 63.353 62.300 0.279 0.000 1.055 400 V CB 0.722 32.566 31.823 0.035 0.000 0.969 400 V HN 1.228 nan 8.190 nan 0.000 0.482 401 T N 0.996 115.665 114.554 0.192 0.000 2.990 401 T HA 0.275 4.625 4.350 -0.000 0.000 0.249 401 T C 0.369 175.123 174.700 0.090 0.000 1.039 401 T CA -0.050 62.121 62.100 0.118 0.000 1.036 401 T CB 0.260 69.193 68.868 0.107 0.000 0.994 401 T HN 0.504 nan 8.240 nan 0.000 0.489 402 K N 0.483 120.954 120.400 0.118 0.000 2.569 402 K HA 0.502 4.822 4.320 -0.000 0.000 0.259 402 K C -1.906 174.740 176.600 0.076 0.000 0.932 402 K CA -0.866 55.463 56.287 0.070 0.000 0.833 402 K CB 1.582 34.119 32.500 0.062 0.000 1.340 402 K HN -0.013 nan 8.250 nan 0.000 0.429 403 I N 6.551 127.109 120.570 -0.021 0.000 2.342 403 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 403 I C 0.839 176.911 176.117 -0.074 0.000 1.010 403 I CA -0.161 61.076 61.300 -0.105 0.000 1.308 403 I CB 1.039 38.826 38.000 -0.354 0.000 1.400 403 I HN 0.756 nan 8.210 nan 0.000 0.488 404 L N 4.210 125.419 121.223 -0.024 0.000 2.433 404 L HA 0.297 4.637 4.340 -0.000 0.000 0.200 404 L C 0.713 177.585 176.870 0.003 0.000 1.059 404 L CA 0.369 55.206 54.840 -0.005 0.000 0.835 404 L CB 0.116 42.184 42.059 0.015 0.000 1.076 404 L HN 0.567 nan 8.230 nan 0.000 0.481 405 E N 0.000 120.222 120.200 0.036 0.000 2.725 405 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 405 E CA 0.000 56.462 56.400 0.103 0.000 0.976 405 E CB 0.000 29.739 29.700 0.065 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440