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_F DATA FIRST_RESID 9 DATA SEQUENCE KPHVNVGTIG HVDHGKTTLT AALTYVTAAE NPXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXAHV 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 0.000 176.596 176.600 -0.006 0.000 0.988 9 K CA 0.000 56.289 56.287 0.003 0.000 0.838 9 K CB 0.000 32.510 32.500 0.016 0.000 1.064 10 P HA -0.109 nan 4.420 nan 0.000 0.267 10 P C -1.134 176.143 177.300 -0.039 0.000 1.175 10 P CA 0.268 63.357 63.100 -0.019 0.000 0.763 10 P CB 0.233 31.916 31.700 -0.030 0.000 0.795 11 H N 1.187 120.198 119.070 -0.098 0.000 2.572 11 H HA 0.613 5.169 4.556 0.001 0.000 0.359 11 H C -1.314 173.961 175.328 -0.088 0.000 1.134 11 H CA -0.618 55.366 56.048 -0.107 0.000 1.187 11 H CB 1.454 31.157 29.762 -0.099 0.000 1.597 11 H HN 0.083 nan 8.280 nan 0.000 0.524 12 V N 4.000 123.765 119.914 -0.248 0.000 3.049 12 V HA 0.235 4.356 4.120 0.001 0.000 0.309 12 V C -0.744 175.415 176.094 0.109 0.000 1.148 12 V CA -0.988 61.334 62.300 0.037 0.000 0.990 12 V CB 2.435 34.300 31.823 0.071 0.000 1.039 12 V HN 0.789 nan 8.190 nan 0.000 0.430 13 N N 1.219 120.020 118.700 0.168 0.000 2.408 13 N HA 0.725 5.466 4.740 0.001 0.000 0.280 13 N C -0.962 174.593 175.510 0.075 0.000 1.002 13 N CA -0.470 52.656 53.050 0.127 0.000 0.907 13 N CB 2.140 40.687 38.487 0.101 0.000 1.161 13 N HN 0.647 nan 8.380 nan 0.000 0.488 14 V N -1.146 118.770 119.914 0.002 0.000 2.925 14 V HA 1.010 5.131 4.120 0.001 0.000 0.311 14 V C 0.131 176.029 176.094 -0.326 0.000 1.104 14 V CA -0.810 61.429 62.300 -0.102 0.000 0.954 14 V CB 1.534 33.309 31.823 -0.079 0.000 1.022 14 V HN 0.605 nan 8.190 nan 0.000 0.427 15 G N 1.179 109.779 108.800 -0.332 0.000 2.569 15 G HA2 0.776 4.737 3.960 0.001 0.000 0.300 15 G HA3 0.776 4.737 3.960 0.001 0.000 0.300 15 G C -0.564 174.115 174.900 -0.368 0.000 1.269 15 G CA -0.248 44.597 45.100 -0.425 0.000 0.959 15 G HN 1.315 nan 8.290 nan 0.000 0.478 16 T N -0.510 113.861 114.554 -0.306 0.000 2.807 16 T HA 0.670 5.020 4.350 0.001 0.000 0.279 16 T C -0.051 174.521 174.700 -0.214 0.000 0.993 16 T CA -0.672 61.322 62.100 -0.178 0.000 0.970 16 T CB 1.504 70.354 68.868 -0.030 0.000 0.950 16 T HN 0.932 nan 8.240 nan 0.000 0.441 17 I N -0.982 119.444 120.570 -0.240 0.000 2.828 17 I HA 0.973 5.144 4.170 0.001 0.000 0.302 17 I C -0.027 175.862 176.117 -0.380 0.000 1.101 17 I CA -0.713 60.370 61.300 -0.361 0.000 1.031 17 I CB 1.347 39.108 38.000 -0.399 0.000 1.231 17 I HN 1.197 nan 8.210 nan 0.000 0.427 18 G N 2.735 111.140 108.800 -0.657 0.000 2.351 18 G HA2 0.005 3.965 3.960 0.001 0.000 0.353 18 G HA3 0.005 3.965 3.960 0.001 0.000 0.353 18 G C -1.348 173.478 174.900 -0.123 0.000 1.358 18 G CA -0.907 43.981 45.100 -0.352 0.000 0.995 18 G HN 1.156 nan 8.290 nan 0.000 0.611 19 H N 0.366 119.425 119.070 -0.018 0.000 3.034 19 H HA 0.182 4.738 4.556 0.001 0.000 0.324 19 H C 2.013 177.263 175.328 -0.131 0.000 1.015 19 H CA 1.108 57.057 56.048 -0.165 0.000 1.429 19 H CB 1.273 30.672 29.762 -0.605 0.000 1.429 19 H HN 0.398 nan 8.280 nan 0.000 0.585 20 V N 3.845 123.694 119.914 -0.109 0.000 2.490 20 V HA -0.201 3.920 4.120 0.001 0.000 0.250 20 V C 1.587 177.764 176.094 0.138 0.000 1.061 20 V CA 1.731 64.031 62.300 0.001 0.000 1.064 20 V CB -0.205 31.575 31.823 -0.072 0.000 0.670 20 V HN 0.670 nan 8.190 nan 0.000 0.461 21 D N -0.882 119.717 120.400 0.331 0.000 2.363 21 D HA -0.035 4.605 4.640 0.001 0.000 0.226 21 D C 1.610 178.075 176.300 0.274 0.000 1.020 21 D CA 0.731 54.875 54.000 0.239 0.000 0.892 21 D CB -0.290 40.632 40.800 0.202 0.000 0.900 21 D HN 0.636 nan 8.370 nan 0.000 0.531 22 H N -1.087 118.051 119.070 0.113 0.000 2.551 22 H HA 0.223 4.779 4.556 0.001 0.000 0.271 22 H C 1.232 176.580 175.328 0.032 0.000 0.984 22 H CA 0.084 56.158 56.048 0.044 0.000 1.164 22 H CB 0.929 30.730 29.762 0.064 0.000 1.437 22 H HN 0.153 nan 8.280 nan 0.000 0.550 23 G N 2.360 111.246 108.800 0.143 0.000 2.132 23 G HA2 -0.358 3.602 3.960 0.001 0.000 0.234 23 G HA3 -0.358 3.602 3.960 0.001 0.000 0.234 23 G C 1.362 176.279 174.900 0.028 0.000 0.989 23 G CA 0.560 45.695 45.100 0.058 0.000 0.676 23 G HN 0.544 nan 8.290 nan 0.000 0.522 24 K N -0.584 119.841 120.400 0.041 0.000 2.160 24 K HA -0.139 4.182 4.320 0.001 0.000 0.206 24 K C 1.987 178.566 176.600 -0.035 0.000 1.047 24 K CA 2.013 58.300 56.287 -0.000 0.000 0.930 24 K CB -0.657 31.835 32.500 -0.013 0.000 0.720 24 K HN 0.307 nan 8.250 nan 0.000 0.450 25 T N 1.134 115.668 114.554 -0.034 0.000 2.777 25 T HA -0.085 4.266 4.350 0.001 0.000 0.266 25 T C 1.908 176.551 174.700 -0.096 0.000 1.040 25 T CA 1.876 63.944 62.100 -0.053 0.000 1.141 25 T CB -0.409 68.435 68.868 -0.040 0.000 0.868 25 T HN 0.387 nan 8.240 nan 0.000 0.444 26 T N 2.606 117.105 114.554 -0.092 0.000 2.708 26 T HA -0.028 4.322 4.350 0.001 0.000 0.266 26 T C 1.935 176.516 174.700 -0.198 0.000 1.037 26 T CA 0.928 62.948 62.100 -0.133 0.000 1.146 26 T CB -0.533 68.276 68.868 -0.100 0.000 0.865 26 T HN 0.143 nan 8.240 nan 0.000 0.435 27 L N 1.155 122.265 121.223 -0.188 0.000 2.043 27 L HA -0.130 4.211 4.340 0.001 0.000 0.212 27 L C 2.434 179.084 176.870 -0.366 0.000 1.075 27 L CA 1.876 56.534 54.840 -0.303 0.000 0.752 27 L CB -1.243 40.626 42.059 -0.317 0.000 0.891 27 L HN 0.179 nan 8.230 nan 0.000 0.432 28 T N -0.124 114.253 114.554 -0.296 0.000 2.684 28 T HA -0.204 4.146 4.350 0.001 0.000 0.267 28 T C 1.895 176.354 174.700 -0.403 0.000 1.036 28 T CA 1.591 63.456 62.100 -0.393 0.000 1.148 28 T CB -0.572 68.144 68.868 -0.254 0.000 0.863 28 T HN 0.581 nan 8.240 nan 0.000 0.436 29 A N 1.246 123.866 122.820 -0.333 0.000 1.933 29 A HA 0.128 4.449 4.320 0.001 0.000 0.218 29 A C 2.611 179.901 177.584 -0.490 0.000 1.175 29 A CA 1.893 53.693 52.037 -0.395 0.000 0.628 29 A CB -1.029 17.740 19.000 -0.385 0.000 0.814 29 A HN 0.519 nan 8.150 nan 0.000 0.444 30 A N -0.342 122.214 122.820 -0.440 0.000 1.933 30 A HA -0.016 4.304 4.320 0.001 0.000 0.218 30 A C 2.125 179.452 177.584 -0.429 0.000 1.175 30 A CA 1.453 53.244 52.037 -0.409 0.000 0.628 30 A CB -0.571 18.214 19.000 -0.358 0.000 0.814 30 A HN 0.464 nan 8.150 nan 0.000 0.444 31 L N -0.340 120.551 121.223 -0.553 0.000 2.083 31 L HA -0.173 4.167 4.340 0.001 0.000 0.209 31 L C 2.796 179.253 176.870 -0.687 0.000 1.083 31 L CA 1.778 56.160 54.840 -0.764 0.000 0.752 31 L CB -0.752 40.661 42.059 -1.077 0.000 0.899 31 L HN 0.420 nan 8.230 nan 0.000 0.433 32 T N -1.945 112.352 114.554 -0.429 0.000 2.701 32 T HA -0.178 4.172 4.350 0.001 0.000 0.263 32 T C 1.752 176.490 174.700 0.064 0.000 1.040 32 T CA 1.149 63.181 62.100 -0.113 0.000 1.147 32 T CB -0.446 68.453 68.868 0.051 0.000 0.865 32 T HN 0.100 nan 8.240 nan 0.000 0.426 33 Y N 1.178 121.366 120.300 -0.187 0.000 2.274 33 Y HA 0.004 4.555 4.550 0.001 0.000 0.290 33 Y C 2.613 178.435 175.900 -0.129 0.000 1.145 33 Y CA -0.679 57.344 58.100 -0.128 0.000 1.203 33 Y CB -1.168 37.208 38.460 -0.139 0.000 0.984 33 Y HN 0.033 nan 8.280 nan 0.000 0.533 34 V N -1.373 118.502 119.914 -0.065 0.000 2.453 34 V HA -0.231 3.889 4.120 0.001 0.000 0.247 34 V C 2.363 178.374 176.094 -0.139 0.000 1.048 34 V CA 2.302 64.507 62.300 -0.157 0.000 1.049 34 V CB -0.675 30.897 31.823 -0.418 0.000 0.672 34 V HN 0.377 nan 8.190 nan 0.000 0.457 35 T N -0.788 113.633 114.554 -0.223 0.000 3.043 35 T HA 0.062 4.413 4.350 0.001 0.000 0.263 35 T C 1.907 176.666 174.700 0.098 0.000 1.094 35 T CA 1.065 63.130 62.100 -0.059 0.000 1.127 35 T CB -0.106 68.705 68.868 -0.096 0.000 0.905 35 T HN 0.486 nan 8.240 nan 0.000 0.490 36 A N 1.300 124.147 122.820 0.046 0.000 1.917 36 A HA 0.102 4.423 4.320 0.001 0.000 0.219 36 A C 2.341 179.964 177.584 0.065 0.000 1.182 36 A CA 1.844 53.907 52.037 0.043 0.000 0.633 36 A CB -1.072 17.917 19.000 -0.018 0.000 0.819 36 A HN 0.618 nan 8.150 nan 0.000 0.448 37 A N -1.417 121.458 122.820 0.091 0.000 2.268 37 A HA 0.227 4.548 4.320 0.001 0.000 0.221 37 A C 1.239 178.905 177.584 0.135 0.000 1.287 37 A CA 0.858 52.955 52.037 0.100 0.000 0.902 37 A CB -0.218 18.846 19.000 0.105 0.000 0.877 37 A HN 0.495 nan 8.150 nan 0.000 0.487 38 E N -1.449 118.849 120.200 0.164 0.000 2.617 38 E HA 0.044 4.395 4.350 0.001 0.000 0.208 38 E C -0.683 175.995 176.600 0.130 0.000 0.888 38 E CA 0.113 56.608 56.400 0.158 0.000 1.485 38 E CB 0.177 30.037 29.700 0.266 0.000 1.482 38 E HN 0.569 nan 8.360 nan 0.000 0.813 39 N N 2.201 120.979 118.700 0.131 0.000 2.703 39 N HA 0.168 4.908 4.740 0.001 0.000 0.283 39 N C -2.585 172.973 175.510 0.081 0.000 1.851 39 N CA -0.760 52.353 53.050 0.105 0.000 0.826 39 N CB 1.423 39.984 38.487 0.124 0.000 1.239 39 N HN 0.007 nan 8.380 nan 0.000 0.495 67 H N -0.993 118.111 119.070 0.056 0.000 2.928 67 H HA 0.888 5.444 4.556 0.001 0.000 0.371 67 H C -1.012 174.369 175.328 0.089 0.000 1.186 67 H CA -1.252 54.846 56.048 0.084 0.000 1.134 67 H CB 1.709 31.523 29.762 0.086 0.000 1.824 67 H HN 0.575 nan 8.280 nan 0.000 0.554 68 V N 0.687 120.699 119.914 0.164 0.000 2.960 68 V HA 0.461 4.582 4.120 0.001 0.000 0.315 68 V C -0.271 175.933 176.094 0.183 0.000 1.087 68 V CA -0.882 61.478 62.300 0.100 0.000 0.982 68 V CB 1.838 33.705 31.823 0.074 0.000 1.039 68 V HN 0.895 nan 8.190 nan 0.000 0.437 69 E N 0.868 121.149 120.200 0.135 0.000 2.312 69 E HA 0.792 5.143 4.350 0.001 0.000 0.267 69 E C -1.957 174.674 176.600 0.052 0.000 0.894 69 E CA -0.582 55.846 56.400 0.047 0.000 0.773 69 E CB 2.596 32.374 29.700 0.130 0.000 1.241 69 E HN 0.723 nan 8.360 nan 0.000 0.432 70 Y N -0.856 119.367 120.300 -0.128 0.000 2.620 70 Y HA 0.442 4.992 4.550 0.001 0.000 0.331 70 Y C -1.744 174.054 175.900 -0.170 0.000 1.173 70 Y CA -1.208 56.814 58.100 -0.130 0.000 1.076 70 Y CB 0.707 39.106 38.460 -0.102 0.000 1.336 70 Y HN 0.456 nan 8.280 nan 0.000 0.459 71 E N 0.802 121.051 120.200 0.083 0.000 2.340 71 E HA 0.670 5.021 4.350 0.001 0.000 0.273 71 E C -0.935 175.795 176.600 0.217 0.000 0.891 71 E CA -1.007 55.430 56.400 0.061 0.000 0.757 71 E CB 2.729 32.367 29.700 -0.103 0.000 1.231 71 E HN 0.820 nan 8.360 nan 0.000 0.439 72 T N -0.711 114.009 114.554 0.278 0.000 2.924 72 T HA 0.548 4.898 4.350 0.001 0.000 0.301 72 T C 1.251 176.077 174.700 0.211 0.000 1.120 72 T CA -0.089 62.192 62.100 0.303 0.000 0.940 72 T CB 0.695 69.786 68.868 0.371 0.000 1.591 72 T HN 0.587 nan 8.240 nan 0.000 0.578 73 A N 0.526 123.470 122.820 0.206 0.000 1.874 73 A HA 0.058 4.378 4.320 0.001 0.000 0.214 73 A C 2.392 180.036 177.584 0.101 0.000 1.189 73 A CA 0.799 52.915 52.037 0.132 0.000 0.615 73 A CB -0.700 18.366 19.000 0.109 0.000 0.830 73 A HN 0.750 nan 8.150 nan 0.000 0.443 74 K N -0.275 120.193 120.400 0.113 0.000 1.991 74 K HA -0.018 4.303 4.320 0.001 0.000 0.207 74 K C 0.603 177.215 176.600 0.021 0.000 1.045 74 K CA 0.903 57.235 56.287 0.076 0.000 0.937 74 K CB -0.103 32.458 32.500 0.101 0.000 0.720 74 K HN 0.445 nan 8.250 nan 0.000 0.438 75 R N -0.333 120.149 120.500 -0.030 0.000 2.930 75 R HA 0.356 4.696 4.340 0.001 0.000 0.257 75 R C -0.688 175.370 176.300 -0.404 0.000 1.107 75 R CA -0.811 55.142 56.100 -0.246 0.000 0.999 75 R CB 1.239 31.279 30.300 -0.433 0.000 1.209 75 R HN 0.138 nan 8.270 nan 0.000 0.486 76 H N 0.049 118.744 119.070 -0.626 0.000 2.457 76 H HA 0.425 4.981 4.556 0.001 0.000 0.335 76 H C -1.393 173.314 175.328 -1.035 0.000 1.115 76 H CA -0.418 55.283 56.048 -0.577 0.000 1.219 76 H CB 0.808 30.388 29.762 -0.303 0.000 1.471 76 H HN 0.383 nan 8.280 nan 0.000 0.491 77 Y N 1.557 121.422 120.300 -0.726 0.000 2.536 77 Y HA 0.431 4.981 4.550 0.001 0.000 0.347 77 Y C -0.371 175.179 175.900 -0.583 0.000 1.000 77 Y CA -0.916 56.759 58.100 -0.709 0.000 1.051 77 Y CB 2.377 40.326 38.460 -0.852 0.000 1.259 77 Y HN 0.690 nan 8.280 nan 0.000 0.468 78 S N 0.277 115.919 115.700 -0.097 0.000 2.538 78 S HA 0.423 4.893 4.470 0.001 0.000 0.288 78 S C -1.525 173.154 174.600 0.132 0.000 1.108 78 S CA -0.893 57.368 58.200 0.101 0.000 0.971 78 S CB 1.238 64.582 63.200 0.241 0.000 1.041 78 S HN 0.766 nan 8.310 nan 0.000 0.483 79 H N 1.724 120.836 119.070 0.070 0.000 2.552 79 H HA 0.515 5.071 4.556 0.001 0.000 0.311 79 H C -0.411 174.974 175.328 0.095 0.000 1.071 79 H CA -0.309 55.786 56.048 0.079 0.000 1.307 79 H CB 1.317 31.144 29.762 0.109 0.000 1.416 79 H HN 0.496 nan 8.280 nan 0.000 0.464 80 V N 3.577 123.420 119.914 -0.119 0.000 2.973 80 V HA 0.136 4.256 4.120 0.001 0.000 0.314 80 V C 0.078 176.113 176.094 -0.098 0.000 1.066 80 V CA -0.591 61.679 62.300 -0.050 0.000 1.021 80 V CB 1.871 33.667 31.823 -0.045 0.000 1.076 80 V HN 0.753 nan 8.190 nan 0.000 0.462 81 D N -0.102 120.276 120.400 -0.036 0.000 2.896 81 D HA 0.493 5.133 4.640 0.001 0.000 0.241 81 D C -1.350 174.894 176.300 -0.093 0.000 1.188 81 D CA -0.231 53.733 54.000 -0.061 0.000 0.879 81 D CB 1.528 42.328 40.800 0.001 0.000 1.553 81 D HN 0.620 nan 8.370 nan 0.000 0.515 82 C N 6.195 125.387 119.300 -0.180 0.000 2.242 82 C HA 0.422 4.883 4.460 0.001 0.000 0.317 82 C C -1.155 173.742 174.990 -0.156 0.000 1.087 82 C CA -0.891 57.993 59.018 -0.224 0.000 1.535 82 C CB 0.429 27.918 27.740 -0.418 0.000 1.893 82 C HN 0.565 nan 8.230 nan 0.000 0.426 83 P HA 0.184 nan 4.420 nan 0.000 0.232 83 P C 0.566 177.856 177.300 -0.018 0.000 1.170 83 P CA 0.853 63.921 63.100 -0.054 0.000 0.824 83 P CB 0.703 32.386 31.700 -0.029 0.000 0.896 84 G N -0.889 107.922 108.800 0.017 0.000 2.571 84 G HA2 0.273 4.234 3.960 0.001 0.000 0.304 84 G HA3 0.273 4.234 3.960 0.001 0.000 0.304 84 G C -0.000 174.974 174.900 0.124 0.000 1.314 84 G CA -0.160 44.981 45.100 0.070 0.000 0.975 84 G HN -0.037 nan 8.290 nan 0.000 0.485 85 H N 2.133 121.232 119.070 0.049 0.000 2.284 85 H HA -0.013 4.543 4.556 0.001 0.000 0.304 85 H C 2.434 177.824 175.328 0.104 0.000 1.069 85 H CA 2.170 58.261 56.048 0.071 0.000 1.327 85 H CB -0.128 29.666 29.762 0.053 0.000 1.387 85 H HN 0.477 nan 8.280 nan 0.000 0.498 86 A N 0.657 123.725 122.820 0.413 0.000 1.854 86 A HA -0.163 4.157 4.320 0.001 0.000 0.214 86 A C 2.336 180.013 177.584 0.156 0.000 1.192 86 A CA 1.660 53.866 52.037 0.281 0.000 0.611 86 A CB -0.971 18.118 19.000 0.148 0.000 0.832 86 A HN 0.583 nan 8.150 nan 0.000 0.442 87 D N -1.972 118.498 120.400 0.116 0.000 2.191 87 D HA -0.272 4.369 4.640 0.001 0.000 0.195 87 D C 1.612 177.940 176.300 0.046 0.000 1.003 87 D CA 2.013 56.045 54.000 0.053 0.000 0.867 87 D CB -0.227 40.605 40.800 0.054 0.000 0.926 87 D HN 0.532 nan 8.370 nan 0.000 0.450 88 Y N 0.932 121.215 120.300 -0.028 0.000 2.092 88 Y HA -0.116 4.434 4.550 0.001 0.000 0.282 88 Y C 2.145 178.008 175.900 -0.062 0.000 1.126 88 Y CA 1.482 59.546 58.100 -0.060 0.000 1.111 88 Y CB -0.502 37.908 38.460 -0.084 0.000 0.987 88 Y HN -0.002 nan 8.280 nan 0.000 0.489 89 I N 0.943 121.468 120.570 -0.075 0.000 2.143 89 I HA -0.440 3.730 4.170 0.001 0.000 0.245 89 I C 2.419 178.419 176.117 -0.195 0.000 1.068 89 I CA 2.340 63.557 61.300 -0.137 0.000 1.326 89 I CB -1.385 36.641 38.000 0.043 0.000 1.028 89 I HN 0.310 nan 8.210 nan 0.000 0.412 90 K N 1.604 121.912 120.400 -0.154 0.000 2.077 90 K HA -0.258 4.062 4.320 0.001 0.000 0.213 90 K C 1.706 178.110 176.600 -0.327 0.000 1.051 90 K CA 2.591 58.715 56.287 -0.272 0.000 0.929 90 K CB -0.179 32.102 32.500 -0.367 0.000 0.715 90 K HN 0.509 nan 8.250 nan 0.000 0.451 91 N N -0.008 118.494 118.700 -0.329 0.000 2.207 91 N HA -0.093 4.648 4.740 0.001 0.000 0.182 91 N C 1.787 177.079 175.510 -0.363 0.000 1.020 91 N CA 0.922 53.776 53.050 -0.327 0.000 0.858 91 N CB -0.118 38.197 38.487 -0.288 0.000 0.991 91 N HN 0.152 nan 8.380 nan 0.000 0.427 92 M N 0.987 120.275 119.600 -0.520 0.000 2.260 92 M HA -0.110 4.371 4.480 0.001 0.000 0.261 92 M C 1.403 177.554 176.300 -0.248 0.000 1.066 92 M CA 1.504 56.541 55.300 -0.438 0.000 1.082 92 M CB -0.310 31.990 32.600 -0.500 0.000 1.388 92 M HN 0.239 nan 8.290 nan 0.000 0.419 93 I N -0.277 120.156 120.570 -0.228 0.000 2.429 93 I HA -0.155 4.016 4.170 0.001 0.000 0.247 93 I C 1.531 177.533 176.117 -0.191 0.000 1.099 93 I CA 1.299 62.489 61.300 -0.183 0.000 1.422 93 I CB -0.214 37.695 38.000 -0.151 0.000 1.112 93 I HN 0.305 nan 8.210 nan 0.000 0.430 94 T N -0.993 113.439 114.554 -0.202 0.000 3.609 94 T HA 0.222 4.573 4.350 0.001 0.000 0.245 94 T C 1.473 176.078 174.700 -0.158 0.000 0.980 94 T CA 0.356 62.348 62.100 -0.179 0.000 0.940 94 T CB -0.526 68.228 68.868 -0.190 0.000 1.105 94 T HN 0.600 nan 8.240 nan 0.000 0.627 95 G N 0.894 109.603 108.800 -0.152 0.000 2.413 95 G HA2 -0.394 3.567 3.960 0.001 0.000 0.259 95 G HA3 -0.394 3.567 3.960 0.001 0.000 0.259 95 G C 1.401 176.228 174.900 -0.122 0.000 1.003 95 G CA 0.719 45.745 45.100 -0.124 0.000 0.629 95 G HN 1.201 nan 8.290 nan 0.000 0.548 96 A N 1.105 123.843 122.820 -0.136 0.000 1.862 96 A HA 0.312 4.633 4.320 0.001 0.000 0.217 96 A C 2.140 179.654 177.584 -0.116 0.000 1.251 96 A CA 2.928 54.891 52.037 -0.122 0.000 0.673 96 A CB -1.160 17.762 19.000 -0.130 0.000 0.843 96 A HN 2.251 nan 8.150 nan 0.000 0.458 97 A N -2.987 119.742 122.820 -0.152 0.000 2.366 97 A HA 0.539 4.860 4.320 0.001 0.000 0.249 97 A C 0.393 177.930 177.584 -0.078 0.000 1.084 97 A CA 1.120 53.091 52.037 -0.110 0.000 0.794 97 A CB 0.149 19.030 19.000 -0.197 0.000 1.034 97 A HN 1.942 nan 8.150 nan 0.000 0.491 98 Q N 1.296 121.104 119.800 0.014 0.000 3.958 98 Q HA 0.391 4.731 4.340 0.001 0.000 0.162 98 Q C -0.471 175.573 176.000 0.074 0.000 0.731 98 Q CA -0.211 55.611 55.803 0.033 0.000 0.883 98 Q CB -1.012 27.725 28.738 -0.001 0.000 1.557 98 Q HN 0.822 nan 8.270 nan 0.000 0.405 99 M N 1.973 121.646 119.600 0.122 0.000 2.390 99 M HA 0.044 4.525 4.480 0.001 0.000 0.353 99 M C -0.255 176.094 176.300 0.082 0.000 1.623 99 M CA 0.321 55.673 55.300 0.087 0.000 1.065 99 M CB 0.546 33.184 32.600 0.064 0.000 2.025 99 M HN 0.556 nan 8.290 nan 0.000 0.461 100 D N 2.225 122.675 120.400 0.083 0.000 2.355 100 D HA 0.183 4.824 4.640 0.001 0.000 0.218 100 D C 0.921 177.287 176.300 0.110 0.000 1.004 100 D CA 0.517 54.576 54.000 0.099 0.000 0.880 100 D CB 0.533 41.399 40.800 0.110 0.000 0.911 100 D HN 0.825 nan 8.370 nan 0.000 0.528 101 G N -0.590 108.257 108.800 0.079 0.000 2.387 101 G HA2 0.536 4.497 3.960 0.001 0.000 0.294 101 G HA3 0.536 4.497 3.960 0.001 0.000 0.294 101 G C -1.945 172.942 174.900 -0.022 0.000 1.509 101 G CA -0.149 44.990 45.100 0.066 0.000 0.806 101 G HN 0.184 nan 8.290 nan 0.000 0.546 102 A N -0.336 122.436 122.820 -0.079 0.000 2.539 102 A HA 0.845 5.165 4.320 0.001 0.000 0.296 102 A C -0.995 176.488 177.584 -0.169 0.000 1.073 102 A CA -0.650 51.298 52.037 -0.149 0.000 0.700 102 A CB 1.285 20.172 19.000 -0.189 0.000 1.296 102 A HN 0.958 nan 8.150 nan 0.000 0.405 103 I N 1.500 121.976 120.570 -0.157 0.000 2.354 103 I HA 0.350 4.521 4.170 0.001 0.000 0.292 103 I C -0.715 175.329 176.117 -0.121 0.000 0.989 103 I CA -0.663 60.563 61.300 -0.125 0.000 1.188 103 I CB 1.575 39.526 38.000 -0.082 0.000 1.342 103 I HN 0.530 nan 8.210 nan 0.000 0.457 104 L N 8.521 129.680 121.223 -0.106 0.000 2.257 104 L HA 0.427 4.767 4.340 0.001 0.000 0.290 104 L C -0.490 176.386 176.870 0.010 0.000 1.044 104 L CA -0.202 54.593 54.840 -0.076 0.000 0.810 104 L CB 1.261 43.261 42.059 -0.098 0.000 1.193 104 L HN 0.329 nan 8.230 nan 0.000 0.425 105 V N 6.608 126.545 119.914 0.038 0.000 2.304 105 V HA 0.449 4.570 4.120 0.001 0.000 0.269 105 V C -0.127 176.069 176.094 0.170 0.000 1.036 105 V CA -0.479 61.892 62.300 0.119 0.000 0.840 105 V CB 1.130 33.021 31.823 0.112 0.000 1.036 105 V HN 0.612 nan 8.190 nan 0.000 0.466 106 V N 2.869 122.847 119.914 0.107 0.000 2.680 106 V HA 0.740 4.861 4.120 0.001 0.000 0.309 106 V C 0.008 175.961 176.094 -0.235 0.000 1.052 106 V CA -0.316 62.035 62.300 0.085 0.000 0.908 106 V CB 2.257 34.117 31.823 0.063 0.000 1.001 106 V HN 0.706 nan 8.190 nan 0.000 0.431 107 S N 4.036 119.276 115.700 -0.768 0.000 2.499 107 S HA 0.579 5.049 4.470 0.001 0.000 0.275 107 S C 1.350 175.722 174.600 -0.381 0.000 1.257 107 S CA 0.071 57.894 58.200 -0.630 0.000 1.050 107 S CB 1.043 63.714 63.200 -0.881 0.000 0.937 107 S HN 1.681 nan 8.310 nan 0.000 0.490 108 A N 4.987 127.651 122.820 -0.261 0.000 2.015 108 A HA 0.131 4.451 4.320 0.001 0.000 0.219 108 A C 2.238 179.734 177.584 -0.147 0.000 1.163 108 A CA 1.583 53.512 52.037 -0.181 0.000 0.646 108 A CB -0.949 17.953 19.000 -0.163 0.000 0.806 108 A HN 1.112 nan 8.150 nan 0.000 0.448 109 A N -0.332 122.390 122.820 -0.163 0.000 1.968 109 A HA -0.080 4.240 4.320 0.001 0.000 0.217 109 A C 1.710 179.232 177.584 -0.105 0.000 1.169 109 A CA 1.742 53.707 52.037 -0.119 0.000 0.638 109 A CB -0.241 18.690 19.000 -0.116 0.000 0.812 109 A HN 0.433 nan 8.150 nan 0.000 0.446 110 D N -1.657 118.660 120.400 -0.137 0.000 2.338 110 D HA 0.357 4.997 4.640 0.001 0.000 0.224 110 D C 1.313 177.580 176.300 -0.055 0.000 0.967 110 D CA 1.454 55.407 54.000 -0.078 0.000 0.896 110 D CB 0.009 40.790 40.800 -0.032 0.000 1.028 110 D HN 0.618 nan 8.370 nan 0.000 0.493 111 G N 0.848 109.595 108.800 -0.088 0.000 2.660 111 G HA2 -0.160 3.800 3.960 0.001 0.000 0.247 111 G HA3 -0.160 3.800 3.960 0.001 0.000 0.247 111 G C -2.638 172.274 174.900 0.020 0.000 1.328 111 G CA -0.930 44.143 45.100 -0.045 0.000 0.884 111 G HN 0.005 nan 8.290 nan 0.000 0.531 112 P HA 0.387 nan 4.420 nan 0.000 0.269 112 P C 0.167 177.512 177.300 0.075 0.000 1.217 112 P CA 0.058 63.202 63.100 0.074 0.000 0.783 112 P CB 0.359 32.084 31.700 0.042 0.000 0.898 113 M N 3.001 122.644 119.600 0.071 0.000 2.537 113 M HA 0.264 4.744 4.480 0.001 0.000 0.324 113 M C -1.469 174.820 176.300 -0.018 0.000 1.187 113 M CA -2.739 52.574 55.300 0.022 0.000 0.993 113 M CB 1.081 33.689 32.600 0.014 0.000 1.666 113 M HN 0.162 nan 8.290 nan 0.000 0.461 114 P HA -0.204 nan 4.420 nan 0.000 0.216 114 P C 0.709 177.961 177.300 -0.081 0.000 1.154 114 P CA 1.830 64.912 63.100 -0.030 0.000 0.865 114 P CB 0.010 31.699 31.700 -0.018 0.000 0.789 115 Q N -0.930 118.787 119.800 -0.139 0.000 2.364 115 Q HA -0.084 4.257 4.340 0.001 0.000 0.209 115 Q C 2.117 177.800 176.000 -0.528 0.000 0.977 115 Q CA 1.532 57.158 55.803 -0.296 0.000 0.885 115 Q CB -1.595 26.939 28.738 -0.340 0.000 0.941 115 Q HN 0.233 nan 8.270 nan 0.000 0.464 116 T N 0.608 114.951 114.554 -0.353 0.000 2.778 116 T HA -0.244 4.107 4.350 0.001 0.000 0.269 116 T C 1.618 176.222 174.700 -0.160 0.000 1.050 116 T CA 1.576 63.540 62.100 -0.227 0.000 1.137 116 T CB -0.174 68.681 68.868 -0.022 0.000 0.860 116 T HN 0.385 nan 8.240 nan 0.000 0.468 117 R N 0.844 121.271 120.500 -0.122 0.000 2.081 117 R HA -0.126 4.214 4.340 0.001 0.000 0.235 117 R C 2.114 178.313 176.300 -0.169 0.000 1.131 117 R CA 1.596 57.646 56.100 -0.082 0.000 0.960 117 R CB -0.075 30.242 30.300 0.028 0.000 0.856 117 R HN 0.239 nan 8.270 nan 0.000 0.436 118 E N -0.490 119.621 120.200 -0.148 0.000 2.152 118 E HA -0.124 4.227 4.350 0.001 0.000 0.192 118 E C 1.812 178.401 176.600 -0.019 0.000 0.983 118 E CA 1.042 57.396 56.400 -0.077 0.000 0.818 118 E CB -0.121 29.543 29.700 -0.059 0.000 0.758 118 E HN 0.445 nan 8.360 nan 0.000 0.467 119 H N 0.135 119.156 119.070 -0.082 0.000 2.256 119 H HA -0.042 4.514 4.556 0.001 0.000 0.299 119 H C 2.229 177.463 175.328 -0.155 0.000 1.071 119 H CA 1.358 57.340 56.048 -0.110 0.000 1.280 119 H CB -0.720 28.981 29.762 -0.102 0.000 1.370 119 H HN 0.147 nan 8.280 nan 0.000 0.490 120 I N 0.395 120.934 120.570 -0.052 0.000 2.151 120 I HA -0.302 3.869 4.170 0.001 0.000 0.243 120 I C 2.606 178.589 176.117 -0.224 0.000 1.080 120 I CA 1.037 62.237 61.300 -0.166 0.000 1.339 120 I CB -0.461 37.372 38.000 -0.278 0.000 1.039 120 I HN 0.093 nan 8.210 nan 0.000 0.409 121 L N -0.136 120.869 121.223 -0.364 0.000 2.051 121 L HA -0.279 4.061 4.340 0.001 0.000 0.214 121 L C 2.548 179.396 176.870 -0.036 0.000 1.076 121 L CA 1.304 56.002 54.840 -0.237 0.000 0.758 121 L CB -0.445 41.556 42.059 -0.096 0.000 0.890 121 L HN 0.304 nan 8.230 nan 0.000 0.433 122 L N -0.292 120.897 121.223 -0.055 0.000 1.989 122 L HA -0.196 4.144 4.340 0.001 0.000 0.211 122 L C 2.630 179.466 176.870 -0.057 0.000 1.071 122 L CA 2.150 56.900 54.840 -0.150 0.000 0.749 122 L CB -0.915 40.973 42.059 -0.285 0.000 0.890 122 L HN 0.193 nan 8.230 nan 0.000 0.431 123 A N -0.372 122.435 122.820 -0.021 0.000 1.884 123 A HA -0.324 3.996 4.320 0.001 0.000 0.219 123 A C 2.448 180.154 177.584 0.204 0.000 1.197 123 A CA 2.246 54.336 52.037 0.089 0.000 0.637 123 A CB -0.782 18.280 19.000 0.103 0.000 0.827 123 A HN 0.492 nan 8.150 nan 0.000 0.450 124 R N -0.093 120.532 120.500 0.209 0.000 2.096 124 R HA -0.187 4.154 4.340 0.001 0.000 0.240 124 R C 2.317 178.668 176.300 0.086 0.000 1.139 124 R CA 2.331 58.499 56.100 0.114 0.000 0.952 124 R CB -1.118 29.254 30.300 0.121 0.000 0.854 124 R HN 0.746 nan 8.270 nan 0.000 0.436 125 Q N -0.368 119.484 119.800 0.087 0.000 1.985 125 Q HA -0.148 4.192 4.340 0.001 0.000 0.207 125 Q C 1.935 177.984 176.000 0.081 0.000 0.996 125 Q CA 2.706 58.560 55.803 0.086 0.000 0.851 125 Q CB -0.240 28.555 28.738 0.095 0.000 0.921 125 Q HN 0.343 nan 8.270 nan 0.000 0.418 126 V N -1.793 118.173 119.914 0.087 0.000 2.913 126 V HA 0.123 4.243 4.120 0.001 0.000 0.260 126 V C 0.959 177.117 176.094 0.107 0.000 1.098 126 V CA 1.419 63.783 62.300 0.107 0.000 1.121 126 V CB -0.761 31.174 31.823 0.186 0.000 0.714 126 V HN 0.610 nan 8.190 nan 0.000 0.487 127 G N 0.287 109.155 108.800 0.114 0.000 2.326 127 G HA2 -0.173 3.788 3.960 0.001 0.000 0.286 127 G HA3 -0.173 3.788 3.960 0.001 0.000 0.286 127 G C -0.129 174.873 174.900 0.169 0.000 1.096 127 G CA 0.067 45.238 45.100 0.118 0.000 1.003 127 G HN 0.969 nan 8.290 nan 0.000 0.503 128 V N 0.743 120.794 119.914 0.229 0.000 2.617 128 V HA 0.058 4.179 4.120 0.001 0.000 0.304 128 V C 0.344 176.619 176.094 0.302 0.000 1.040 128 V CA -0.015 62.414 62.300 0.216 0.000 1.149 128 V CB 0.946 32.851 31.823 0.136 0.000 0.914 128 V HN 0.350 nan 8.190 nan 0.000 0.487 129 P HA -0.129 nan 4.420 nan 0.000 0.213 129 P C -0.394 177.165 177.300 0.432 0.000 1.176 129 P CA 1.560 64.821 63.100 0.267 0.000 0.919 129 P CB 0.127 31.947 31.700 0.199 0.000 0.791 130 Y N -2.215 118.182 120.300 0.161 0.000 2.615 130 Y HA 0.591 5.141 4.550 0.001 0.000 0.341 130 Y C -0.924 174.950 175.900 -0.044 0.000 1.089 130 Y CA -1.644 56.530 58.100 0.125 0.000 1.049 130 Y CB 1.300 39.842 38.460 0.136 0.000 1.296 130 Y HN -0.287 nan 8.280 nan 0.000 0.470 131 I N 3.049 123.150 120.570 -0.781 0.000 2.689 131 I HA 0.597 4.767 4.170 0.001 0.000 0.299 131 I C -1.278 174.447 176.117 -0.653 0.000 1.059 131 I CA -1.149 59.757 61.300 -0.655 0.000 1.055 131 I CB 2.150 39.681 38.000 -0.781 0.000 1.243 131 I HN 0.241 nan 8.210 nan 0.000 0.425 132 V N 5.460 125.167 119.914 -0.346 0.000 2.823 132 V HA 0.537 4.657 4.120 0.001 0.000 0.312 132 V C -0.399 175.592 176.094 -0.171 0.000 1.072 132 V CA -0.680 61.478 62.300 -0.237 0.000 0.937 132 V CB 2.608 34.362 31.823 -0.114 0.000 1.013 132 V HN 0.392 nan 8.190 nan 0.000 0.430 133 V N 3.347 123.185 119.914 -0.126 0.000 2.715 133 V HA 0.555 4.675 4.120 0.001 0.000 0.310 133 V C -1.055 175.070 176.094 0.051 0.000 1.054 133 V CA -0.618 61.648 62.300 -0.057 0.000 0.928 133 V CB 1.847 33.618 31.823 -0.086 0.000 1.007 133 V HN 0.713 nan 8.190 nan 0.000 0.437 134 F N 4.457 124.351 119.950 -0.094 0.000 2.610 134 F HA 0.574 5.101 4.527 0.001 0.000 0.355 134 F C -0.091 175.668 175.800 -0.069 0.000 1.140 134 F CA -0.724 57.229 58.000 -0.078 0.000 1.037 134 F CB 1.516 40.468 39.000 -0.081 0.000 1.287 134 F HN 0.412 nan 8.300 nan 0.000 0.457 135 M N 5.296 124.587 119.600 -0.514 0.000 2.455 135 M HA 0.100 4.580 4.480 0.001 0.000 0.331 135 M C 0.131 176.016 176.300 -0.690 0.000 1.481 135 M CA 0.021 55.054 55.300 -0.444 0.000 1.362 135 M CB -0.220 32.199 32.600 -0.302 0.000 1.564 135 M HN 0.585 nan 8.290 nan 0.000 0.458 136 N N 2.373 120.781 118.700 -0.487 0.000 2.327 136 N HA 0.115 4.856 4.740 0.001 0.000 0.257 136 N C -0.254 175.101 175.510 -0.258 0.000 1.281 136 N CA 0.307 53.157 53.050 -0.333 0.000 0.942 136 N CB 0.574 39.078 38.487 0.029 0.000 1.199 136 N HN 0.473 nan 8.380 nan 0.000 0.532 137 K N -1.168 119.112 120.400 -0.199 0.000 3.012 137 K HA -0.173 4.147 4.320 0.001 0.000 0.259 137 K C 0.522 177.005 176.600 -0.195 0.000 0.989 137 K CA 0.300 56.465 56.287 -0.203 0.000 0.728 137 K CB -1.673 30.724 32.500 -0.172 0.000 1.260 137 K HN 0.268 nan 8.250 nan 0.000 0.480 138 V N 0.679 120.475 119.914 -0.196 0.000 2.970 138 V HA -0.209 3.911 4.120 0.001 0.000 0.260 138 V C 1.880 177.946 176.094 -0.047 0.000 1.100 138 V CA 2.309 64.543 62.300 -0.110 0.000 1.122 138 V CB -0.264 31.523 31.823 -0.060 0.000 0.721 138 V HN 0.600 nan 8.190 nan 0.000 0.483 139 D N -1.001 119.319 120.400 -0.134 0.000 2.347 139 D HA -0.140 4.500 4.640 0.001 0.000 0.215 139 D C 1.393 177.659 176.300 -0.057 0.000 0.976 139 D CA 0.782 54.738 54.000 -0.073 0.000 0.884 139 D CB -0.180 40.437 40.800 -0.305 0.000 0.915 139 D HN 0.432 nan 8.370 nan 0.000 0.526 140 M N 1.328 120.875 119.600 -0.088 0.000 2.853 140 M HA 0.232 4.713 4.480 0.001 0.000 0.274 140 M C -0.441 175.827 176.300 -0.053 0.000 1.289 140 M CA -0.317 54.941 55.300 -0.069 0.000 1.031 140 M CB 1.063 33.610 32.600 -0.088 0.000 1.352 140 M HN 0.073 nan 8.290 nan 0.000 0.485 141 V N 0.064 119.958 119.914 -0.034 0.000 2.624 141 V HA 0.215 4.335 4.120 0.001 0.000 0.294 141 V C -0.258 175.831 176.094 -0.009 0.000 1.077 141 V CA -0.600 61.682 62.300 -0.029 0.000 0.905 141 V CB 1.471 33.268 31.823 -0.044 0.000 1.025 141 V HN 0.465 nan 8.190 nan 0.000 0.440 142 D N 3.859 124.255 120.400 -0.008 0.000 2.075 142 D HA -0.077 4.564 4.640 0.001 0.000 0.196 142 D C 0.758 177.057 176.300 -0.002 0.000 0.985 142 D CA 1.177 55.177 54.000 -0.000 0.000 0.834 142 D CB -0.203 40.596 40.800 -0.002 0.000 0.987 142 D HN 0.633 nan 8.370 nan 0.000 0.452 143 D N 0.443 120.839 120.400 -0.008 0.000 2.371 143 D HA 0.075 4.715 4.640 0.001 0.000 0.256 143 D C -1.815 174.478 176.300 -0.011 0.000 1.193 143 D CA -1.969 52.026 54.000 -0.009 0.000 0.881 143 D CB 1.384 42.178 40.800 -0.011 0.000 1.143 143 D HN -0.028 nan 8.370 nan 0.000 0.473 144 P HA 0.088 nan 4.420 nan 0.000 0.253 144 P C 0.591 177.883 177.300 -0.014 0.000 1.260 144 P CA 0.324 63.417 63.100 -0.012 0.000 0.800 144 P CB 0.400 32.095 31.700 -0.008 0.000 1.162 145 E N -0.723 119.469 120.200 -0.013 0.000 2.190 145 E HA 0.002 4.352 4.350 0.001 0.000 0.191 145 E C 1.635 178.225 176.600 -0.016 0.000 0.978 145 E CA 0.144 56.537 56.400 -0.013 0.000 0.839 145 E CB -0.275 29.419 29.700 -0.010 0.000 0.787 145 E HN 0.106 nan 8.360 nan 0.000 0.473 146 L N 1.074 122.285 121.223 -0.020 0.000 1.970 146 L HA -0.255 4.086 4.340 0.001 0.000 0.212 146 L C 2.208 179.060 176.870 -0.031 0.000 1.071 146 L CA 1.497 56.322 54.840 -0.025 0.000 0.751 146 L CB -0.340 41.701 42.059 -0.030 0.000 0.889 146 L HN 0.172 nan 8.230 nan 0.000 0.432 147 L N -1.027 120.175 121.223 -0.035 0.000 1.971 147 L HA -0.315 4.026 4.340 0.001 0.000 0.215 147 L C 2.291 179.139 176.870 -0.037 0.000 1.072 147 L CA 1.878 56.691 54.840 -0.044 0.000 0.758 147 L CB -1.328 40.705 42.059 -0.043 0.000 0.889 147 L HN 0.385 nan 8.230 nan 0.000 0.433 148 D N 0.270 120.654 120.400 -0.027 0.000 2.158 148 D HA -0.200 4.440 4.640 0.001 0.000 0.197 148 D C 2.123 178.412 176.300 -0.018 0.000 0.995 148 D CA 1.492 55.480 54.000 -0.020 0.000 0.846 148 D CB -0.056 40.736 40.800 -0.013 0.000 0.941 148 D HN 0.228 nan 8.370 nan 0.000 0.456 149 L N 1.081 122.293 121.223 -0.018 0.000 1.973 149 L HA -0.152 4.188 4.340 0.001 0.000 0.208 149 L C 2.400 179.260 176.870 -0.017 0.000 1.073 149 L CA 1.412 56.243 54.840 -0.014 0.000 0.746 149 L CB -0.907 41.144 42.059 -0.014 0.000 0.891 149 L HN -0.151 nan 8.230 nan 0.000 0.433 150 V N 0.529 120.427 119.914 -0.027 0.000 2.250 150 V HA -0.416 3.704 4.120 0.001 0.000 0.253 150 V C 2.689 178.767 176.094 -0.028 0.000 1.065 150 V CA 2.408 64.689 62.300 -0.032 0.000 1.039 150 V CB -1.137 30.654 31.823 -0.053 0.000 0.647 150 V HN 0.717 nan 8.190 nan 0.000 0.446 151 E N -0.666 119.514 120.200 -0.034 0.000 2.118 151 E HA -0.303 4.047 4.350 0.001 0.000 0.195 151 E C 2.182 178.774 176.600 -0.013 0.000 0.992 151 E CA 1.911 58.293 56.400 -0.031 0.000 0.804 151 E CB -0.165 29.514 29.700 -0.036 0.000 0.741 151 E HN 0.548 nan 8.360 nan 0.000 0.458 152 M N 0.872 120.468 119.600 -0.008 0.000 2.080 152 M HA -0.204 4.276 4.480 0.001 0.000 0.260 152 M C 1.913 178.219 176.300 0.010 0.000 1.068 152 M CA 1.749 57.051 55.300 0.003 0.000 1.109 152 M CB -0.007 32.594 32.600 0.002 0.000 1.342 152 M HN 0.116 nan 8.290 nan 0.000 0.405 153 E N -0.956 119.248 120.200 0.007 0.000 2.005 153 E HA -0.230 4.120 4.350 0.001 0.000 0.198 153 E C 1.876 178.491 176.600 0.025 0.000 1.010 153 E CA 2.004 58.413 56.400 0.016 0.000 0.825 153 E CB -0.487 29.219 29.700 0.010 0.000 0.769 153 E HN 0.309 nan 8.360 nan 0.000 0.456 154 V N 1.675 121.599 119.914 0.016 0.000 2.220 154 V HA -0.360 3.760 4.120 0.001 0.000 0.250 154 V C 2.353 178.464 176.094 0.029 0.000 1.056 154 V CA 2.143 64.453 62.300 0.018 0.000 1.016 154 V CB -0.781 31.038 31.823 -0.007 0.000 0.639 154 V HN 0.287 nan 8.190 nan 0.000 0.446 155 R N 0.042 120.553 120.500 0.018 0.000 2.162 155 R HA -0.321 4.020 4.340 0.001 0.000 0.245 155 R C 2.135 178.470 176.300 0.058 0.000 1.129 155 R CA 2.532 58.650 56.100 0.031 0.000 0.940 155 R CB -1.024 29.292 30.300 0.025 0.000 0.875 155 R HN 0.764 nan 8.270 nan 0.000 0.437 156 D N 0.450 120.882 120.400 0.053 0.000 2.097 156 D HA -0.139 4.501 4.640 0.001 0.000 0.195 156 D C 2.106 178.461 176.300 0.092 0.000 0.989 156 D CA 0.976 55.013 54.000 0.062 0.000 0.827 156 D CB -0.135 40.692 40.800 0.045 0.000 0.966 156 D HN 0.139 nan 8.370 nan 0.000 0.456 157 L N -0.372 120.913 121.223 0.103 0.000 2.021 157 L HA -0.240 4.100 4.340 0.001 0.000 0.215 157 L C 2.483 179.514 176.870 0.268 0.000 1.074 157 L CA 1.165 56.106 54.840 0.167 0.000 0.760 157 L CB -0.354 41.784 42.059 0.131 0.000 0.889 157 L HN 0.253 nan 8.230 nan 0.000 0.433 158 L N -0.834 120.515 121.223 0.210 0.000 2.056 158 L HA -0.197 4.144 4.340 0.001 0.000 0.207 158 L C 2.290 179.351 176.870 0.319 0.000 1.078 158 L CA 1.118 56.136 54.840 0.296 0.000 0.749 158 L CB -0.851 41.315 42.059 0.178 0.000 0.901 158 L HN 0.266 nan 8.230 nan 0.000 0.433 159 N N 0.175 118.992 118.700 0.196 0.000 2.094 159 N HA -0.242 4.498 4.740 0.001 0.000 0.191 159 N C 1.867 177.427 175.510 0.084 0.000 1.023 159 N CA 1.342 54.473 53.050 0.134 0.000 0.857 159 N CB -0.296 38.242 38.487 0.086 0.000 1.013 159 N HN 0.529 nan 8.380 nan 0.000 0.426 160 Q N -0.673 119.165 119.800 0.062 0.000 2.297 160 Q HA -0.132 4.208 4.340 0.001 0.000 0.208 160 Q C 0.227 176.023 176.000 -0.339 0.000 0.981 160 Q CA 1.107 56.823 55.803 -0.144 0.000 0.876 160 Q CB -0.054 28.567 28.738 -0.194 0.000 0.921 160 Q HN 0.552 nan 8.270 nan 0.000 0.446 161 Y N -0.291 120.049 120.300 0.066 0.000 2.736 161 Y HA 0.133 4.684 4.550 0.001 0.000 0.293 161 Y C -0.077 175.755 175.900 -0.113 0.000 1.062 161 Y CA -0.378 57.736 58.100 0.022 0.000 1.247 161 Y CB 0.439 38.961 38.460 0.104 0.000 1.200 161 Y HN 0.010 nan 8.280 nan 0.000 0.552 162 E N -2.332 117.865 120.200 -0.005 0.000 3.975 162 E HA -0.266 4.084 4.350 0.001 0.000 0.342 162 E C -0.481 176.072 176.600 -0.079 0.000 0.677 162 E CA 0.765 57.114 56.400 -0.084 0.000 1.238 162 E CB -1.924 27.674 29.700 -0.170 0.000 1.665 162 E HN 0.353 nan 8.360 nan 0.000 0.429 163 F N 2.577 122.600 119.950 0.123 0.000 2.429 163 F HA 0.226 4.753 4.527 0.001 0.000 0.348 163 F C -1.340 174.528 175.800 0.113 0.000 1.109 163 F CA -1.947 56.121 58.000 0.113 0.000 1.232 163 F CB 0.208 39.249 39.000 0.069 0.000 1.157 163 F HN -0.269 nan 8.300 nan 0.000 0.564 164 P HA 0.035 nan 4.420 nan 0.000 0.244 164 P C 0.904 178.337 177.300 0.221 0.000 1.723 164 P CA 0.301 63.569 63.100 0.280 0.000 1.110 164 P CB -0.116 31.797 31.700 0.354 0.000 1.972 165 G N 2.604 111.508 108.800 0.173 0.000 2.485 165 G HA2 -0.245 3.716 3.960 0.001 0.000 0.221 165 G HA3 -0.245 3.716 3.960 0.001 0.000 0.221 165 G C 0.966 175.917 174.900 0.086 0.000 1.115 165 G CA 0.588 45.755 45.100 0.111 0.000 0.751 165 G HN 0.338 nan 8.290 nan 0.000 0.567 166 D N 0.489 120.953 120.400 0.106 0.000 2.216 166 D HA -0.006 4.635 4.640 0.001 0.000 0.208 166 D C 2.045 178.421 176.300 0.127 0.000 0.960 166 D CA 0.648 54.705 54.000 0.094 0.000 0.861 166 D CB -0.149 40.703 40.800 0.086 0.000 0.985 166 D HN 0.254 nan 8.370 nan 0.000 0.493 167 E N 0.838 121.151 120.200 0.188 0.000 2.347 167 E HA 0.025 4.375 4.350 0.001 0.000 0.196 167 E C 0.487 177.315 176.600 0.379 0.000 1.008 167 E CA -0.017 56.553 56.400 0.284 0.000 0.852 167 E CB 0.233 30.115 29.700 0.302 0.000 0.783 167 E HN 0.003 nan 8.360 nan 0.000 0.505 168 V N 3.333 123.385 119.914 0.230 0.000 2.637 168 V HA 0.105 4.226 4.120 0.001 0.000 0.296 168 V C -2.053 173.956 176.094 -0.141 0.000 1.046 168 V CA -1.418 60.905 62.300 0.037 0.000 1.066 168 V CB 0.929 32.663 31.823 -0.148 0.000 0.968 168 V HN 0.106 nan 8.190 nan 0.000 0.483 169 P HA 0.278 nan 4.420 nan 0.000 0.285 169 P C -1.102 176.075 177.300 -0.205 0.000 1.259 169 P CA -0.212 62.655 63.100 -0.388 0.000 0.794 169 P CB 1.421 32.702 31.700 -0.697 0.000 0.940 170 V N 5.278 125.118 119.914 -0.124 0.000 2.349 170 V HA 0.203 4.323 4.120 0.001 0.000 0.284 170 V C 0.315 176.370 176.094 -0.065 0.000 1.014 170 V CA -0.604 61.643 62.300 -0.087 0.000 0.826 170 V CB 0.974 32.750 31.823 -0.078 0.000 1.009 170 V HN 0.378 nan 8.190 nan 0.000 0.431 171 I N 4.998 125.548 120.570 -0.033 0.000 2.428 171 I HA 0.454 4.624 4.170 0.001 0.000 0.289 171 I C 0.524 176.523 176.117 -0.196 0.000 1.019 171 I CA -0.158 61.139 61.300 -0.006 0.000 1.351 171 I CB 1.026 39.145 38.000 0.199 0.000 1.412 171 I HN 0.459 nan 8.210 nan 0.000 0.513 172 R N 3.416 123.815 120.500 -0.169 0.000 2.387 172 R HA 0.806 5.146 4.340 0.001 0.000 0.314 172 R C 0.039 176.235 176.300 -0.173 0.000 0.958 172 R CA -0.385 55.561 56.100 -0.258 0.000 0.846 172 R CB 1.771 32.000 30.300 -0.118 0.000 1.147 172 R HN 0.919 nan 8.270 nan 0.000 0.447 173 G N -0.400 108.194 108.800 -0.342 0.000 2.500 173 G HA2 0.370 4.330 3.960 0.001 0.000 0.299 173 G HA3 0.370 4.330 3.960 0.001 0.000 0.299 173 G C -1.531 173.333 174.900 -0.060 0.000 1.242 173 G CA -0.423 44.721 45.100 0.072 0.000 0.859 173 G HN 0.377 nan 8.290 nan 0.000 0.481 174 S N -1.035 114.704 115.700 0.065 0.000 2.776 174 S HA 0.579 5.049 4.470 0.001 0.000 0.284 174 S C 0.955 175.544 174.600 -0.018 0.000 1.160 174 S CA 0.723 58.818 58.200 -0.175 0.000 1.051 174 S CB 1.050 63.816 63.200 -0.723 0.000 1.037 174 S HN 1.687 nan 8.310 nan 0.000 0.485 175 A N 4.703 127.573 122.820 0.083 0.000 1.902 175 A HA 0.016 4.336 4.320 0.001 0.000 0.217 175 A C 1.936 179.444 177.584 -0.128 0.000 1.181 175 A CA 1.349 53.365 52.037 -0.035 0.000 0.623 175 A CB -0.675 18.291 19.000 -0.057 0.000 0.818 175 A HN 0.786 nan 8.150 nan 0.000 0.443 176 L N 0.134 121.271 121.223 -0.143 0.000 1.970 176 L HA -0.161 4.179 4.340 0.001 0.000 0.212 176 L C 2.375 179.138 176.870 -0.179 0.000 1.071 176 L CA 1.956 56.701 54.840 -0.158 0.000 0.751 176 L CB -1.007 40.962 42.059 -0.151 0.000 0.889 176 L HN 0.436 nan 8.230 nan 0.000 0.432 177 L N -0.665 120.395 121.223 -0.272 0.000 2.042 177 L HA -0.201 4.140 4.340 0.001 0.000 0.210 177 L C 2.643 179.457 176.870 -0.093 0.000 1.076 177 L CA 1.256 55.935 54.840 -0.270 0.000 0.749 177 L CB -1.020 40.616 42.059 -0.706 0.000 0.893 177 L HN 0.392 nan 8.230 nan 0.000 0.432 178 A N -0.128 122.657 122.820 -0.058 0.000 1.933 178 A HA -0.212 4.109 4.320 0.001 0.000 0.218 178 A C 2.208 179.751 177.584 -0.068 0.000 1.175 178 A CA 1.647 53.706 52.037 0.036 0.000 0.628 178 A CB -0.553 18.466 19.000 0.032 0.000 0.814 178 A HN 0.316 nan 8.150 nan 0.000 0.444 179 L N 0.167 121.291 121.223 -0.165 0.000 2.044 179 L HA -0.058 4.282 4.340 0.001 0.000 0.205 179 L C 2.164 178.838 176.870 -0.326 0.000 1.075 179 L CA 2.183 56.836 54.840 -0.312 0.000 0.747 179 L CB -0.964 40.872 42.059 -0.372 0.000 0.903 179 L HN 0.521 nan 8.230 nan 0.000 0.435 180 E N -0.855 119.259 120.200 -0.143 0.000 2.130 180 E HA -0.338 4.013 4.350 0.001 0.000 0.196 180 E C 2.040 178.670 176.600 0.051 0.000 0.998 180 E CA 1.440 57.843 56.400 0.006 0.000 0.806 180 E CB -0.153 29.561 29.700 0.022 0.000 0.738 180 E HN 0.506 nan 8.360 nan 0.000 0.459 181 Q N 0.457 120.278 119.800 0.036 0.000 2.079 181 Q HA -0.141 4.199 4.340 0.001 0.000 0.200 181 Q C 1.951 177.996 176.000 0.075 0.000 0.974 181 Q CA 1.433 57.282 55.803 0.077 0.000 0.840 181 Q CB -0.009 28.794 28.738 0.108 0.000 0.898 181 Q HN 0.130 nan 8.270 nan 0.000 0.430 182 M N -0.313 119.309 119.600 0.037 0.000 2.296 182 M HA -0.089 4.391 4.480 0.001 0.000 0.265 182 M C 1.768 178.160 176.300 0.153 0.000 1.064 182 M CA 1.367 56.712 55.300 0.077 0.000 1.109 182 M CB -1.104 31.547 32.600 0.085 0.000 1.396 182 M HN 0.301 nan 8.290 nan 0.000 0.430 183 H N -0.045 119.111 119.070 0.144 0.000 2.326 183 H HA 0.046 4.603 4.556 0.001 0.000 0.301 183 H C 2.294 177.664 175.328 0.069 0.000 1.081 183 H CA 1.351 57.475 56.048 0.128 0.000 1.334 183 H CB -0.126 29.695 29.762 0.099 0.000 1.385 183 H HN 0.333 nan 8.280 nan 0.000 0.504 184 R N 0.094 120.711 120.500 0.195 0.000 2.062 184 R HA -0.066 4.275 4.340 0.001 0.000 0.231 184 R C 0.449 176.800 176.300 0.084 0.000 1.136 184 R CA 1.175 57.343 56.100 0.113 0.000 0.948 184 R CB 0.008 30.364 30.300 0.093 0.000 0.845 184 R HN 0.060 nan 8.270 nan 0.000 0.430 185 N N 0.197 118.947 118.700 0.082 0.000 2.776 185 N HA 0.163 4.904 4.740 0.001 0.000 0.245 185 N C -2.321 173.221 175.510 0.053 0.000 1.121 185 N CA -2.315 50.771 53.050 0.059 0.000 0.852 185 N CB 1.409 39.929 38.487 0.054 0.000 1.142 185 N HN -0.208 nan 8.380 nan 0.000 0.514 186 P HA -0.128 nan 4.420 nan 0.000 0.218 186 P C 0.803 178.102 177.300 -0.001 0.000 1.146 186 P CA 1.588 64.681 63.100 -0.012 0.000 0.813 186 P CB 0.289 31.953 31.700 -0.060 0.000 0.778 187 K N -1.113 119.298 120.400 0.018 0.000 2.404 187 K HA 0.157 4.477 4.320 0.001 0.000 0.194 187 K C 0.880 177.511 176.600 0.052 0.000 1.023 187 K CA 0.394 56.698 56.287 0.029 0.000 1.094 187 K CB -1.450 31.062 32.500 0.019 0.000 0.841 187 K HN 0.134 nan 8.250 nan 0.000 0.523 188 T N 2.104 116.696 114.554 0.063 0.000 2.898 188 T HA 0.139 4.489 4.350 0.001 0.000 0.331 188 T C 0.397 175.163 174.700 0.111 0.000 1.085 188 T CA 0.448 62.596 62.100 0.081 0.000 1.129 188 T CB 0.174 69.099 68.868 0.095 0.000 1.054 188 T HN 0.645 nan 8.240 nan 0.000 0.540 189 R N 0.208 120.765 120.500 0.095 0.000 2.846 189 R HA 0.631 4.971 4.340 0.001 0.000 0.263 189 R C -0.697 175.617 176.300 0.025 0.000 1.080 189 R CA -1.357 54.793 56.100 0.084 0.000 0.961 189 R CB 0.669 30.975 30.300 0.011 0.000 1.231 189 R HN 0.281 nan 8.270 nan 0.000 0.465 190 R N 0.548 120.946 120.500 -0.171 0.000 2.583 190 R HA 0.087 4.427 4.340 0.001 0.000 0.274 190 R C 0.926 177.132 176.300 -0.158 0.000 0.998 190 R CA 2.026 57.921 56.100 -0.340 0.000 1.081 190 R CB -0.478 29.436 30.300 -0.643 0.000 0.940 190 R HN 0.840 nan 8.270 nan 0.000 0.413 191 G N 2.713 111.452 108.800 -0.102 0.000 2.347 191 G HA2 -0.376 3.585 3.960 0.001 0.000 0.247 191 G HA3 -0.376 3.585 3.960 0.001 0.000 0.247 191 G C 0.970 175.849 174.900 -0.035 0.000 1.037 191 G CA 0.554 45.615 45.100 -0.065 0.000 0.622 191 G HN 0.642 nan 8.290 nan 0.000 0.521 192 E N 0.410 120.600 120.200 -0.016 0.000 2.001 192 E HA -0.059 4.291 4.350 0.001 0.000 0.195 192 E C 1.255 177.859 176.600 0.008 0.000 1.002 192 E CA 0.835 57.236 56.400 0.001 0.000 0.819 192 E CB -0.063 29.649 29.700 0.020 0.000 0.769 192 E HN 0.526 nan 8.360 nan 0.000 0.454 193 N N 0.611 119.334 118.700 0.037 0.000 2.473 193 N HA -0.053 4.688 4.740 0.001 0.000 0.291 193 N C 0.529 176.033 175.510 -0.010 0.000 1.083 193 N CA 0.067 53.137 53.050 0.034 0.000 0.951 193 N CB 1.617 40.162 38.487 0.096 0.000 1.164 193 N HN 0.110 nan 8.380 nan 0.000 0.480 194 E N 2.924 123.045 120.200 -0.131 0.000 2.072 194 E HA -0.152 4.198 4.350 0.001 0.000 0.191 194 E C 0.945 177.369 176.600 -0.294 0.000 0.985 194 E CA 1.308 57.525 56.400 -0.306 0.000 0.801 194 E CB 0.009 29.362 29.700 -0.578 0.000 0.750 194 E HN 0.723 nan 8.360 nan 0.000 0.452 195 W N 0.126 121.454 121.300 0.046 0.000 2.436 195 W HA -0.060 4.600 4.660 0.000 0.000 0.284 195 W C 2.240 178.797 176.519 0.063 0.000 1.225 195 W CA 0.044 57.418 57.345 0.049 0.000 1.271 195 W CB -0.038 29.440 29.460 0.029 0.000 1.114 195 W HN -0.046 nan 8.180 nan 0.000 0.559 196 V N 0.396 120.463 119.914 0.256 0.000 2.453 196 V HA -0.261 3.859 4.120 0.001 0.000 0.247 196 V C 1.595 177.872 176.094 0.304 0.000 1.048 196 V CA 1.917 64.347 62.300 0.216 0.000 1.049 196 V CB -0.773 31.183 31.823 0.222 0.000 0.672 196 V HN 0.030 nan 8.190 nan 0.000 0.457 197 D N 0.006 120.559 120.400 0.255 0.000 2.178 197 D HA -0.117 4.523 4.640 0.001 0.000 0.201 197 D C 2.225 178.669 176.300 0.240 0.000 0.980 197 D CA 0.849 55.002 54.000 0.256 0.000 0.842 197 D CB -0.140 40.714 40.800 0.090 0.000 0.948 197 D HN 0.315 nan 8.370 nan 0.000 0.472 198 K N 0.341 120.860 120.400 0.199 0.000 2.103 198 K HA -0.011 4.309 4.320 0.001 0.000 0.204 198 K C 2.014 178.747 176.600 0.221 0.000 1.052 198 K CA 0.281 56.697 56.287 0.216 0.000 0.945 198 K CB -0.095 32.572 32.500 0.278 0.000 0.722 198 K HN 0.211 nan 8.250 nan 0.000 0.443 199 I N -0.631 120.020 120.570 0.136 0.000 2.361 199 I HA -0.224 3.947 4.170 0.001 0.000 0.251 199 I C 2.068 178.083 176.117 -0.171 0.000 1.133 199 I CA 1.071 62.309 61.300 -0.102 0.000 1.413 199 I CB -1.123 36.715 38.000 -0.270 0.000 1.073 199 I HN 0.190 nan 8.210 nan 0.000 0.424 200 W N 1.643 122.941 121.300 -0.002 0.000 2.407 200 W HA -0.108 4.553 4.660 0.001 0.000 0.305 200 W C 2.617 179.147 176.519 0.018 0.000 1.196 200 W CA 0.707 58.050 57.345 -0.003 0.000 1.311 200 W CB -0.393 29.071 29.460 0.007 0.000 1.135 200 W HN 0.123 nan 8.180 nan 0.000 0.514 201 E N 0.072 120.433 120.200 0.269 0.000 2.169 201 E HA -0.307 4.043 4.350 0.001 0.000 0.202 201 E C 1.946 178.629 176.600 0.138 0.000 1.016 201 E CA 1.768 58.276 56.400 0.181 0.000 0.817 201 E CB -0.504 29.284 29.700 0.147 0.000 0.736 201 E HN 0.202 nan 8.360 nan 0.000 0.462 202 L N 0.624 121.907 121.223 0.100 0.000 2.023 202 L HA -0.132 4.208 4.340 0.001 0.000 0.205 202 L C 2.133 178.994 176.870 -0.014 0.000 1.073 202 L CA 1.419 56.278 54.840 0.031 0.000 0.745 202 L CB -0.400 41.629 42.059 -0.049 0.000 0.900 202 L HN 0.087 nan 8.230 nan 0.000 0.435 203 L N -0.165 121.017 121.223 -0.068 0.000 2.043 203 L HA -0.279 4.062 4.340 0.001 0.000 0.212 203 L C 2.321 179.248 176.870 0.096 0.000 1.075 203 L CA 1.582 56.384 54.840 -0.064 0.000 0.752 203 L CB -0.933 41.032 42.059 -0.157 0.000 0.891 203 L HN 0.357 nan 8.230 nan 0.000 0.432 204 D N 0.042 120.550 120.400 0.180 0.000 2.087 204 D HA -0.201 4.440 4.640 0.001 0.000 0.192 204 D C 2.259 178.672 176.300 0.189 0.000 0.993 204 D CA 1.629 55.750 54.000 0.203 0.000 0.828 204 D CB -0.314 40.608 40.800 0.203 0.000 0.968 204 D HN 0.329 nan 8.370 nan 0.000 0.448 205 A N 1.016 123.934 122.820 0.164 0.000 1.940 205 A HA -0.241 4.079 4.320 0.001 0.000 0.221 205 A C 2.419 180.141 177.584 0.229 0.000 1.190 205 A CA 1.408 53.555 52.037 0.183 0.000 0.647 205 A CB -0.922 18.103 19.000 0.040 0.000 0.821 205 A HN 0.248 nan 8.150 nan 0.000 0.457 206 I N -0.380 120.271 120.570 0.134 0.000 2.076 206 I HA -0.278 3.892 4.170 0.001 0.000 0.237 206 I C 2.047 178.287 176.117 0.205 0.000 1.059 206 I CA 1.728 63.099 61.300 0.120 0.000 1.317 206 I CB -0.712 37.263 38.000 -0.043 0.000 1.037 206 I HN 0.262 nan 8.210 nan 0.000 0.398 207 D N 0.597 121.127 120.400 0.217 0.000 2.218 207 D HA -0.213 4.428 4.640 0.001 0.000 0.194 207 D C 1.987 178.401 176.300 0.190 0.000 1.007 207 D CA 1.438 55.584 54.000 0.243 0.000 0.879 207 D CB -0.173 40.761 40.800 0.224 0.000 0.918 207 D HN 0.517 nan 8.370 nan 0.000 0.449 208 E N -0.389 119.933 120.200 0.203 0.000 2.075 208 E HA -0.051 4.299 4.350 0.001 0.000 0.193 208 E C 2.362 179.000 176.600 0.064 0.000 0.950 208 E CA 0.185 56.654 56.400 0.116 0.000 0.859 208 E CB -1.124 28.625 29.700 0.082 0.000 0.846 208 E HN 0.323 nan 8.360 nan 0.000 0.467 209 Y N 2.162 122.508 120.300 0.076 0.000 2.132 209 Y HA -0.154 4.397 4.550 0.001 0.000 0.280 209 Y C 1.886 177.727 175.900 -0.098 0.000 1.193 209 Y CA 1.083 59.197 58.100 0.023 0.000 1.157 209 Y CB -0.643 37.994 38.460 0.294 0.000 0.966 209 Y HN 0.134 nan 8.280 nan 0.000 0.511 210 I N 0.470 121.187 120.570 0.245 0.000 2.337 210 I HA 0.347 4.518 4.170 0.001 0.000 0.291 210 I C -2.500 173.670 176.117 0.089 0.000 1.046 210 I CA -2.385 59.032 61.300 0.194 0.000 1.324 210 I CB 0.893 39.058 38.000 0.275 0.000 1.409 210 I HN -0.187 nan 8.210 nan 0.000 0.494 211 P HA 0.055 nan 4.420 nan 0.000 0.270 211 P C -0.580 176.759 177.300 0.064 0.000 1.221 211 P CA 0.076 63.190 63.100 0.024 0.000 0.788 211 P CB 0.335 32.043 31.700 0.014 0.000 0.904 212 T N 1.578 116.163 114.554 0.051 0.000 2.867 212 T HA 0.400 4.751 4.350 0.001 0.000 0.282 212 T C -2.218 172.512 174.700 0.050 0.000 1.000 212 T CA -1.428 60.708 62.100 0.059 0.000 1.042 212 T CB 0.204 69.099 68.868 0.044 0.000 0.973 212 T HN 0.345 nan 8.240 nan 0.000 0.465 213 P HA 0.116 nan 4.420 nan 0.000 0.264 213 P C 0.260 177.579 177.300 0.033 0.000 1.229 213 P CA -0.350 62.778 63.100 0.048 0.000 0.780 213 P CB 0.050 31.783 31.700 0.055 0.000 0.808 214 V N 4.199 124.129 119.914 0.027 0.000 2.763 214 V HA 0.102 4.223 4.120 0.001 0.000 0.306 214 V C 0.477 176.579 176.094 0.014 0.000 1.059 214 V CA -0.349 61.962 62.300 0.018 0.000 1.138 214 V CB -0.019 31.814 31.823 0.016 0.000 0.940 214 V HN 0.592 nan 8.190 nan 0.000 0.489 215 R N 3.486 123.991 120.500 0.009 0.000 2.404 215 R HA 0.464 4.805 4.340 0.001 0.000 0.291 215 R C 0.585 176.886 176.300 0.002 0.000 1.025 215 R CA -0.374 55.728 56.100 0.004 0.000 0.991 215 R CB 0.496 30.796 30.300 0.000 0.000 1.053 215 R HN 0.722 nan 8.270 nan 0.000 0.479 216 D N 1.644 122.043 120.400 -0.002 0.000 2.192 216 D HA -0.260 4.380 4.640 0.001 0.000 0.189 216 D C 1.849 178.148 176.300 -0.002 0.000 1.007 216 D CA 2.197 56.196 54.000 -0.002 0.000 0.859 216 D CB -0.433 40.364 40.800 -0.007 0.000 0.936 216 D HN 0.514 nan 8.370 nan 0.000 0.447 217 V N -0.047 119.864 119.914 -0.004 0.000 2.828 217 V HA -0.201 3.920 4.120 0.001 0.000 0.260 217 V C 1.406 177.499 176.094 -0.002 0.000 1.101 217 V CA 2.030 64.327 62.300 -0.004 0.000 1.123 217 V CB -0.329 31.491 31.823 -0.005 0.000 0.704 217 V HN -0.100 nan 8.190 nan 0.000 0.493 218 D N 0.200 120.600 120.400 -0.000 0.000 2.249 218 D HA 0.063 4.704 4.640 0.001 0.000 0.205 218 D C 0.971 177.272 176.300 0.002 0.000 0.962 218 D CA 0.731 54.732 54.000 0.001 0.000 0.860 218 D CB -0.045 40.757 40.800 0.003 0.000 0.955 218 D HN 0.573 nan 8.370 nan 0.000 0.505 219 K N 1.471 121.873 120.400 0.003 0.000 2.295 219 K HA 0.211 4.531 4.320 0.001 0.000 0.270 219 K C -2.372 174.229 176.600 0.002 0.000 1.011 219 K CA -1.455 54.834 56.287 0.003 0.000 0.953 219 K CB 0.182 32.685 32.500 0.005 0.000 0.956 219 K HN -0.130 nan 8.250 nan 0.000 0.477 220 P HA -0.215 nan 4.420 nan 0.000 0.271 220 P C -0.251 177.048 177.300 -0.002 0.000 1.197 220 P CA 0.516 63.616 63.100 -0.000 0.000 0.777 220 P CB 0.206 31.906 31.700 0.001 0.000 0.827 221 F N 1.971 121.918 119.950 -0.004 0.000 2.480 221 F HA 0.550 5.077 4.527 0.001 0.000 0.319 221 F C 0.457 176.253 175.800 -0.006 0.000 1.230 221 F CA -0.191 57.805 58.000 -0.006 0.000 1.285 221 F CB -0.530 38.465 39.000 -0.008 0.000 1.208 221 F HN 0.542 nan 8.300 nan 0.000 0.579 222 L N 2.416 123.635 121.223 -0.007 0.000 3.355 222 L HA 0.515 4.856 4.340 0.001 0.000 0.251 222 L C -1.215 175.652 176.870 -0.005 0.000 0.980 222 L CA -0.556 54.281 54.840 -0.006 0.000 1.051 222 L CB 1.575 43.633 42.059 -0.001 0.000 1.710 222 L HN 1.068 nan 8.230 nan 0.000 0.469 223 M N 6.368 125.965 119.600 -0.006 0.000 2.284 223 M HA 0.483 4.963 4.480 0.001 0.000 0.281 223 M C -2.981 173.319 176.300 -0.000 0.000 1.083 223 M CA -1.284 54.013 55.300 -0.005 0.000 0.965 223 M CB 3.275 35.868 32.600 -0.012 0.000 1.717 223 M HN 0.274 nan 8.290 nan 0.000 0.479 224 P HA 0.231 nan 4.420 nan 0.000 0.286 224 P C -0.597 176.715 177.300 0.019 0.000 1.321 224 P CA -0.253 62.863 63.100 0.027 0.000 0.790 224 P CB 0.546 32.277 31.700 0.052 0.000 0.897 225 V N 4.669 124.585 119.914 0.003 0.000 2.585 225 V HA -0.021 4.100 4.120 0.001 0.000 0.296 225 V C 1.556 177.651 176.094 0.001 0.000 1.035 225 V CA 0.717 63.007 62.300 -0.017 0.000 1.084 225 V CB 0.074 31.872 31.823 -0.042 0.000 0.953 225 V HN 0.546 nan 8.190 nan 0.000 0.483 226 E N 1.980 122.178 120.200 -0.003 0.000 2.207 226 E HA 0.152 4.503 4.350 0.001 0.000 0.197 226 E C -0.235 176.369 176.600 0.008 0.000 0.914 226 E CA 0.059 56.474 56.400 0.025 0.000 0.914 226 E CB 0.498 30.228 29.700 0.050 0.000 0.893 226 E HN 0.724 nan 8.360 nan 0.000 0.479 227 D N 0.201 120.584 120.400 -0.028 0.000 2.477 227 D HA 0.487 5.127 4.640 0.001 0.000 0.234 227 D C -1.016 175.064 176.300 -0.367 0.000 1.048 227 D CA -0.486 53.476 54.000 -0.062 0.000 0.959 227 D CB 3.161 44.068 40.800 0.180 0.000 1.408 227 D HN -0.191 nan 8.370 nan 0.000 0.496 228 V N 1.494 121.118 119.914 -0.484 0.000 2.817 228 V HA 0.528 4.649 4.120 0.001 0.000 0.303 228 V C -1.038 174.709 176.094 -0.578 0.000 1.151 228 V CA -0.667 61.219 62.300 -0.690 0.000 0.929 228 V CB 1.550 33.197 31.823 -0.293 0.000 1.030 228 V HN 0.586 nan 8.190 nan 0.000 0.427 229 F N 0.694 120.645 119.950 0.002 0.000 3.413 229 F HA 0.934 5.461 4.527 0.001 0.000 0.328 229 F C -0.026 175.774 175.800 0.001 0.000 1.209 229 F CA -0.834 57.167 58.000 0.002 0.000 0.930 229 F CB 1.191 40.194 39.000 0.004 0.000 1.559 229 F HN 0.439 nan 8.300 nan 0.000 0.523 230 T N -0.586 114.164 114.554 0.327 0.000 2.864 230 T HA 0.724 5.075 4.350 0.001 0.000 0.299 230 T C -1.295 173.501 174.700 0.160 0.000 1.166 230 T CA -0.567 61.640 62.100 0.179 0.000 1.007 230 T CB 2.353 71.278 68.868 0.096 0.000 1.219 230 T HN 0.605 nan 8.240 nan 0.000 0.506 231 I N 2.567 123.199 120.570 0.104 0.000 2.871 231 I HA 0.188 4.358 4.170 0.001 0.000 0.284 231 I C 0.469 176.612 176.117 0.043 0.000 1.390 231 I CA -0.327 61.014 61.300 0.068 0.000 0.958 231 I CB -0.007 38.037 38.000 0.073 0.000 1.618 231 I HN 1.113 nan 8.210 nan 0.000 0.595 232 T N 0.694 115.270 114.554 0.035 0.000 1.844 232 T HA -0.080 4.270 4.350 0.001 0.000 0.463 232 T C 1.417 176.129 174.700 0.021 0.000 1.016 232 T CA 1.008 63.122 62.100 0.024 0.000 2.442 232 T CB -0.359 68.519 68.868 0.017 0.000 1.384 232 T HN 1.227 nan 8.240 nan 0.000 0.391 233 G N 3.427 112.238 108.800 0.018 0.000 2.320 233 G HA2 -0.352 3.609 3.960 0.001 0.000 0.242 233 G HA3 -0.352 3.609 3.960 0.001 0.000 0.242 233 G C 1.261 176.171 174.900 0.016 0.000 1.033 233 G CA 0.503 45.612 45.100 0.015 0.000 0.620 233 G HN 0.751 nan 8.290 nan 0.000 0.517 234 R N 1.084 121.597 120.500 0.022 0.000 2.052 234 R HA 0.430 4.770 4.340 0.001 0.000 0.226 234 R C 1.622 177.935 176.300 0.021 0.000 1.145 234 R CA 2.072 58.186 56.100 0.023 0.000 0.952 234 R CB -0.947 29.372 30.300 0.033 0.000 0.847 234 R HN 1.737 nan 8.270 nan 0.000 0.431 235 G N -0.514 108.302 108.800 0.026 0.000 2.346 235 G HA2 -0.144 3.817 3.960 0.001 0.000 0.294 235 G HA3 -0.144 3.817 3.960 0.001 0.000 0.294 235 G C -1.009 173.906 174.900 0.025 0.000 1.294 235 G CA -0.381 44.730 45.100 0.019 0.000 0.962 235 G HN 0.209 nan 8.290 nan 0.000 0.508 236 T N -1.497 113.061 114.554 0.006 0.000 2.761 236 T HA 0.587 4.938 4.350 0.001 0.000 0.296 236 T C -0.052 174.625 174.700 -0.039 0.000 0.934 236 T CA -0.442 61.652 62.100 -0.010 0.000 1.091 236 T CB 1.487 70.339 68.868 -0.027 0.000 0.896 236 T HN 1.217 nan 8.240 nan 0.000 0.515 237 V N 2.631 122.505 119.914 -0.066 0.000 2.495 237 V HA 0.758 4.879 4.120 0.001 0.000 0.298 237 V C 0.100 175.970 176.094 -0.373 0.000 1.031 237 V CA -0.990 61.238 62.300 -0.120 0.000 0.871 237 V CB 1.584 33.427 31.823 0.033 0.000 0.988 237 V HN 1.244 nan 8.190 nan 0.000 0.432 238 A N 3.052 125.711 122.820 -0.268 0.000 2.319 238 A HA 0.761 5.082 4.320 0.001 0.000 0.310 238 A C 0.109 177.585 177.584 -0.180 0.000 1.152 238 A CA -0.244 51.613 52.037 -0.300 0.000 0.783 238 A CB 1.353 20.239 19.000 -0.190 0.000 1.184 238 A HN 0.916 nan 8.150 nan 0.000 0.474 239 T N 0.245 114.696 114.554 -0.171 0.000 2.824 239 T HA 0.802 5.152 4.350 0.001 0.000 0.277 239 T C 0.424 175.109 174.700 -0.025 0.000 0.975 239 T CA 0.257 62.334 62.100 -0.037 0.000 0.966 239 T CB 1.311 70.219 68.868 0.066 0.000 1.054 239 T HN 2.456 nan 8.240 nan 0.000 0.533 240 G N 0.302 109.100 108.800 -0.004 0.000 2.321 240 G HA2 0.273 4.233 3.960 0.001 0.000 0.339 240 G HA3 0.273 4.233 3.960 0.001 0.000 0.339 240 G C -1.242 173.653 174.900 -0.008 0.000 1.518 240 G CA -0.977 44.123 45.100 -0.000 0.000 0.994 240 G HN 0.867 nan 8.290 nan 0.000 0.668 241 R N 0.836 121.335 120.500 -0.002 0.000 2.308 241 R HA 0.571 4.911 4.340 0.001 0.000 0.305 241 R C 0.643 176.938 176.300 -0.008 0.000 1.053 241 R CA -0.714 55.380 56.100 -0.010 0.000 0.957 241 R CB 0.319 30.616 30.300 -0.005 0.000 1.022 241 R HN 0.475 nan 8.270 nan 0.000 0.461 242 I N 3.415 123.977 120.570 -0.014 0.000 2.754 242 I HA -0.070 4.100 4.170 0.001 0.000 0.285 242 I C 1.419 177.532 176.117 -0.007 0.000 1.166 242 I CA 0.422 61.716 61.300 -0.011 0.000 1.417 242 I CB 1.003 38.995 38.000 -0.014 0.000 1.382 242 I HN 0.820 nan 8.210 nan 0.000 0.588 243 E N 4.290 124.488 120.200 -0.003 0.000 2.175 243 E HA 0.085 4.436 4.350 0.001 0.000 0.195 243 E C 0.252 176.850 176.600 -0.003 0.000 0.934 243 E CA 0.161 56.561 56.400 -0.000 0.000 0.870 243 E CB 0.691 30.395 29.700 0.008 0.000 0.838 243 E HN 0.672 nan 8.360 nan 0.000 0.474 244 R N -1.385 119.114 120.500 -0.002 0.000 2.692 244 R HA 0.532 4.873 4.340 0.001 0.000 0.269 244 R C -0.285 176.013 176.300 -0.004 0.000 1.030 244 R CA -0.213 55.885 56.100 -0.003 0.000 0.882 244 R CB 1.263 31.563 30.300 0.001 0.000 1.250 244 R HN 0.157 nan 8.270 nan 0.000 0.465 245 G N 1.274 110.072 108.800 -0.004 0.000 2.728 245 G HA2 -0.130 3.830 3.960 0.001 0.000 0.294 245 G HA3 -0.130 3.830 3.960 0.001 0.000 0.294 245 G C -1.366 173.531 174.900 -0.006 0.000 1.342 245 G CA -0.288 44.809 45.100 -0.004 0.000 0.866 245 G HN 0.716 nan 8.290 nan 0.000 0.534 246 K N -1.515 118.882 120.400 -0.006 0.000 2.352 246 K HA 0.845 5.165 4.320 0.001 0.000 0.240 246 K C -1.095 175.501 176.600 -0.007 0.000 1.017 246 K CA -0.859 55.424 56.287 -0.007 0.000 0.851 246 K CB 3.018 35.515 32.500 -0.005 0.000 1.261 246 K HN 1.300 nan 8.250 nan 0.000 0.451 247 V N 2.135 122.044 119.914 -0.008 0.000 2.839 247 V HA 0.155 4.276 4.120 0.001 0.000 0.284 247 V C -1.172 174.917 176.094 -0.008 0.000 1.397 247 V CA -0.628 61.667 62.300 -0.008 0.000 0.938 247 V CB 1.553 33.369 31.823 -0.010 0.000 1.112 247 V HN 0.856 nan 8.190 nan 0.000 0.443 248 K N 5.163 125.559 120.400 -0.006 0.000 2.385 248 K HA 0.713 5.034 4.320 0.001 0.000 0.274 248 K C -0.303 176.293 176.600 -0.005 0.000 0.981 248 K CA -0.322 55.962 56.287 -0.005 0.000 1.400 248 K CB 0.663 33.161 32.500 -0.003 0.000 2.019 248 K HN 0.447 nan 8.250 nan 0.000 0.855 249 V N -0.490 119.422 119.914 -0.004 0.000 2.850 249 V HA 0.430 4.551 4.120 0.001 0.000 0.315 249 V C 1.049 177.141 176.094 -0.004 0.000 1.064 249 V CA 0.214 62.511 62.300 -0.004 0.000 0.979 249 V CB 0.624 32.446 31.823 -0.002 0.000 1.039 249 V HN 1.038 nan 8.190 nan 0.000 0.452 250 G N 1.935 110.732 108.800 -0.005 0.000 2.212 250 G HA2 -0.210 3.750 3.960 0.001 0.000 0.266 250 G HA3 -0.210 3.750 3.960 0.001 0.000 0.266 250 G C -0.012 174.884 174.900 -0.006 0.000 0.978 250 G CA 0.277 45.374 45.100 -0.005 0.000 0.632 250 G HN 0.694 nan 8.290 nan 0.000 0.537 251 D N 0.862 121.258 120.400 -0.007 0.000 2.424 251 D HA 0.436 5.076 4.640 0.001 0.000 0.244 251 D C 0.637 176.931 176.300 -0.010 0.000 1.134 251 D CA 0.123 54.118 54.000 -0.008 0.000 0.881 251 D CB 1.000 41.795 40.800 -0.008 0.000 1.191 251 D HN 0.519 nan 8.370 nan 0.000 0.445 252 E N 1.360 121.554 120.200 -0.010 0.000 2.259 252 E HA 0.369 4.719 4.350 0.001 0.000 0.281 252 E C -0.964 175.627 176.600 -0.014 0.000 1.037 252 E CA -0.420 55.973 56.400 -0.012 0.000 0.854 252 E CB 0.833 30.527 29.700 -0.011 0.000 1.051 252 E HN 0.120 nan 8.360 nan 0.000 0.409 253 V N 3.531 123.435 119.914 -0.016 0.000 3.145 253 V HA 0.575 4.696 4.120 0.001 0.000 0.311 253 V C -1.090 174.990 176.094 -0.023 0.000 1.238 253 V CA -0.561 61.728 62.300 -0.019 0.000 1.066 253 V CB 2.218 34.029 31.823 -0.021 0.000 1.144 253 V HN 0.882 nan 8.190 nan 0.000 0.465 254 E N 0.619 120.803 120.200 -0.026 0.000 2.340 254 E HA 0.559 4.909 4.350 0.001 0.000 0.273 254 E C -1.474 175.105 176.600 -0.035 0.000 0.891 254 E CA -0.551 55.830 56.400 -0.031 0.000 0.757 254 E CB 2.282 31.962 29.700 -0.033 0.000 1.231 254 E HN 0.566 nan 8.360 nan 0.000 0.439 255 I N 3.425 123.972 120.570 -0.039 0.000 2.503 255 I HA 0.230 4.400 4.170 0.001 0.000 0.277 255 I C -0.819 175.268 176.117 -0.050 0.000 1.078 255 I CA -0.646 60.628 61.300 -0.042 0.000 1.184 255 I CB 0.818 38.793 38.000 -0.041 0.000 1.353 255 I HN 0.122 nan 8.210 nan 0.000 0.490 256 V N 4.009 123.891 119.914 -0.055 0.000 2.509 256 V HA 0.891 5.011 4.120 0.001 0.000 0.284 256 V C 0.672 176.723 176.094 -0.072 0.000 1.047 256 V CA -0.500 61.758 62.300 -0.070 0.000 0.952 256 V CB 0.853 32.628 31.823 -0.080 0.000 0.988 256 V HN 0.937 nan 8.190 nan 0.000 0.469 257 G N 2.695 111.446 108.800 -0.082 0.000 2.627 257 G HA2 0.169 4.130 3.960 0.001 0.000 0.680 257 G HA3 0.169 4.130 3.960 0.001 0.000 0.680 257 G C -0.345 174.515 174.900 -0.066 0.000 1.341 257 G CA -0.423 44.628 45.100 -0.081 0.000 0.835 257 G HN 1.197 nan 8.290 nan 0.000 0.643 258 L N -1.347 119.836 121.223 -0.067 0.000 4.373 258 L HA -0.308 4.032 4.340 0.001 0.000 0.371 258 L C 2.088 178.929 176.870 -0.049 0.000 1.222 258 L CA 2.270 57.079 54.840 -0.052 0.000 2.643 258 L CB -1.693 40.341 42.059 -0.042 0.000 1.094 258 L HN 2.350 nan 8.230 nan 0.000 0.692 259 A N 0.930 123.721 122.820 -0.049 0.000 2.425 259 A HA 0.447 4.767 4.320 0.001 0.000 0.242 259 A C -0.797 176.758 177.584 -0.048 0.000 1.077 259 A CA -0.106 51.904 52.037 -0.044 0.000 0.781 259 A CB -0.183 18.792 19.000 -0.042 0.000 1.020 259 A HN 0.328 nan 8.150 nan 0.000 0.494 260 P HA -0.021 nan 4.420 nan 0.000 0.228 260 P C 0.008 177.282 177.300 -0.044 0.000 1.151 260 P CA 1.184 64.260 63.100 -0.040 0.000 0.770 260 P CB 0.265 31.946 31.700 -0.032 0.000 0.786 261 E N -1.883 118.290 120.200 -0.045 0.000 2.430 261 E HA 0.264 4.615 4.350 0.001 0.000 0.279 261 E C -0.893 175.677 176.600 -0.051 0.000 1.003 261 E CA -0.661 55.711 56.400 -0.047 0.000 0.801 261 E CB 1.419 31.096 29.700 -0.038 0.000 1.313 261 E HN -0.339 nan 8.360 nan 0.000 0.459 262 T N 1.639 116.161 114.554 -0.054 0.000 2.875 262 T HA 0.273 4.623 4.350 0.001 0.000 0.307 262 T C 0.219 174.893 174.700 -0.043 0.000 1.013 262 T CA -0.313 61.754 62.100 -0.054 0.000 0.970 262 T CB -0.305 68.526 68.868 -0.061 0.000 0.986 262 T HN 0.453 nan 8.240 nan 0.000 0.536 263 R N 3.199 123.675 120.500 -0.040 0.000 2.288 263 R HA 0.466 4.806 4.340 0.001 0.000 0.330 263 R C 0.274 176.555 176.300 -0.032 0.000 1.069 263 R CA -0.714 55.366 56.100 -0.033 0.000 0.941 263 R CB -0.536 29.745 30.300 -0.032 0.000 0.998 263 R HN 0.842 nan 8.270 nan 0.000 0.452 264 R N 0.643 121.125 120.500 -0.028 0.000 2.460 264 R HA 0.728 5.069 4.340 0.001 0.000 0.303 264 R C 0.221 176.508 176.300 -0.022 0.000 0.968 264 R CA 0.183 56.268 56.100 -0.026 0.000 0.889 264 R CB 1.682 31.967 30.300 -0.025 0.000 1.123 264 R HN 0.656 nan 8.270 nan 0.000 0.455 265 T N -1.138 113.404 114.554 -0.021 0.000 2.560 265 T HA 0.634 4.985 4.350 0.001 0.000 0.208 265 T C -0.534 174.156 174.700 -0.016 0.000 0.757 265 T CA -0.375 61.714 62.100 -0.018 0.000 1.366 265 T CB 0.429 69.286 68.868 -0.019 0.000 1.689 265 T HN 0.323 nan 8.240 nan 0.000 0.447 266 V N 0.509 120.414 119.914 -0.015 0.000 3.120 266 V HA 0.535 4.655 4.120 0.001 0.000 0.303 266 V C -0.725 175.361 176.094 -0.014 0.000 1.238 266 V CA -1.056 61.235 62.300 -0.013 0.000 1.008 266 V CB 2.410 34.227 31.823 -0.011 0.000 1.064 266 V HN 0.842 nan 8.190 nan 0.000 0.434 267 V N 2.314 122.221 119.914 -0.013 0.000 2.572 267 V HA 0.216 4.337 4.120 0.001 0.000 0.291 267 V C 1.023 177.112 176.094 -0.009 0.000 1.039 267 V CA 0.440 62.733 62.300 -0.012 0.000 1.055 267 V CB 1.160 32.976 31.823 -0.012 0.000 0.969 267 V HN 1.078 nan 8.190 nan 0.000 0.482 268 T N 2.288 116.838 114.554 -0.007 0.000 3.174 268 T HA 0.538 4.888 4.350 0.001 0.000 0.269 268 T C 0.439 175.139 174.700 -0.000 0.000 1.017 268 T CA 0.338 62.436 62.100 -0.003 0.000 0.899 268 T CB 0.227 69.093 68.868 -0.003 0.000 1.077 268 T HN 1.154 nan 8.240 nan 0.000 0.552 269 G N 0.295 109.094 108.800 -0.001 0.000 2.368 269 G HA2 0.430 4.391 3.960 0.001 0.000 0.303 269 G HA3 0.430 4.391 3.960 0.001 0.000 0.303 269 G C -1.985 172.915 174.900 0.001 0.000 1.590 269 G CA -0.722 44.379 45.100 0.002 0.000 0.938 269 G HN 0.150 nan 8.290 nan 0.000 0.675 270 V N 0.017 119.932 119.914 0.003 0.000 2.962 270 V HA 0.932 5.052 4.120 0.001 0.000 0.313 270 V C -0.304 175.793 176.094 0.005 0.000 1.099 270 V CA -0.678 61.622 62.300 -0.000 0.000 0.971 270 V CB 2.170 33.991 31.823 -0.003 0.000 1.028 270 V HN 1.129 nan 8.190 nan 0.000 0.430 271 E N 2.525 122.726 120.200 0.002 0.000 2.879 271 E HA 0.300 4.651 4.350 0.001 0.000 0.345 271 E C -1.644 174.952 176.600 -0.006 0.000 0.955 271 E CA -0.402 56.002 56.400 0.008 0.000 0.801 271 E CB 1.363 31.076 29.700 0.023 0.000 1.324 271 E HN 0.737 nan 8.360 nan 0.000 0.417 272 M N 4.190 123.782 119.600 -0.014 0.000 2.264 272 M HA 0.329 4.809 4.480 0.001 0.000 0.352 272 M C -0.310 175.989 176.300 -0.002 0.000 1.173 272 M CA -0.038 55.220 55.300 -0.070 0.000 1.075 272 M CB 0.424 32.973 32.600 -0.084 0.000 1.621 272 M HN 0.916 nan 8.290 nan 0.000 0.457 273 H N 1.252 120.336 119.070 0.023 0.000 2.731 273 H HA -0.233 4.323 4.556 0.001 0.000 0.305 273 H C 0.334 175.673 175.328 0.018 0.000 1.132 273 H CA 1.137 57.197 56.048 0.019 0.000 1.148 273 H CB -1.702 28.068 29.762 0.013 0.000 1.379 273 H HN 0.928 nan 8.280 nan 0.000 0.398 274 R N -2.707 117.854 120.500 0.101 0.000 3.144 274 R HA 0.077 4.417 4.340 0.001 0.000 0.255 274 R C 0.065 176.402 176.300 0.062 0.000 0.949 274 R CA 2.256 58.398 56.100 0.071 0.000 0.649 274 R CB -2.913 27.424 30.300 0.062 0.000 1.229 274 R HN 1.471 nan 8.270 nan 0.000 0.440 275 K N 0.296 120.729 120.400 0.055 0.000 2.709 275 K HA 0.582 4.902 4.320 0.001 0.000 0.288 275 K C 0.397 177.017 176.600 0.034 0.000 1.362 275 K CA 0.188 56.501 56.287 0.044 0.000 1.002 275 K CB -0.866 31.667 32.500 0.055 0.000 1.407 275 K HN 1.675 nan 8.250 nan 0.000 0.526 276 T N 1.400 115.969 114.554 0.026 0.000 2.535 276 T HA -0.050 4.300 4.350 0.001 0.000 0.229 276 T C 0.379 175.088 174.700 0.015 0.000 0.988 276 T CA 0.581 62.691 62.100 0.018 0.000 1.211 276 T CB -0.067 68.810 68.868 0.015 0.000 1.021 276 T HN 0.624 nan 8.240 nan 0.000 0.420 277 L N 1.778 123.007 121.223 0.009 0.000 2.422 277 L HA 0.286 4.626 4.340 0.001 0.000 0.264 277 L C 1.371 178.243 176.870 0.003 0.000 0.984 277 L CA -0.805 54.038 54.840 0.006 0.000 0.819 277 L CB 2.154 44.214 42.059 0.001 0.000 1.330 277 L HN 0.863 nan 8.230 nan 0.000 0.410 278 Q N 1.722 121.524 119.800 0.003 0.000 2.079 278 Q HA 0.014 4.354 4.340 0.001 0.000 0.200 278 Q C -0.002 175.998 176.000 -0.000 0.000 0.974 278 Q CA 1.448 57.253 55.803 0.002 0.000 0.840 278 Q CB 0.451 29.190 28.738 0.002 0.000 0.898 278 Q HN 0.623 nan 8.270 nan 0.000 0.430 279 E N -1.347 118.852 120.200 -0.002 0.000 2.366 279 E HA 0.511 4.861 4.350 0.001 0.000 0.278 279 E C -1.654 174.942 176.600 -0.006 0.000 0.923 279 E CA -0.551 55.846 56.400 -0.004 0.000 0.761 279 E CB 2.051 31.749 29.700 -0.003 0.000 1.231 279 E HN 0.352 nan 8.360 nan 0.000 0.443 280 G N 2.684 111.479 108.800 -0.009 0.000 2.415 280 G HA2 0.654 4.614 3.960 0.001 0.000 0.327 280 G HA3 0.654 4.614 3.960 0.001 0.000 0.327 280 G C -0.514 174.379 174.900 -0.012 0.000 1.182 280 G CA -0.521 44.571 45.100 -0.013 0.000 0.924 280 G HN 0.479 nan 8.290 nan 0.000 0.470 281 I N -0.587 119.975 120.570 -0.013 0.000 3.042 281 I HA 0.838 5.008 4.170 0.001 0.000 0.310 281 I C 0.536 176.645 176.117 -0.013 0.000 1.117 281 I CA -1.607 59.687 61.300 -0.011 0.000 1.003 281 I CB 2.190 40.185 38.000 -0.008 0.000 1.228 281 I HN 0.637 nan 8.210 nan 0.000 0.443 282 A N 2.646 125.459 122.820 -0.011 0.000 2.583 282 A HA 0.363 4.683 4.320 0.001 0.000 0.249 282 A C 1.308 178.884 177.584 -0.014 0.000 1.035 282 A CA 1.030 53.060 52.037 -0.011 0.000 0.777 282 A CB -1.391 17.604 19.000 -0.009 0.000 0.942 282 A HN 2.137 nan 8.150 nan 0.000 0.516 283 G N 2.191 110.982 108.800 -0.015 0.000 2.163 283 G HA2 -0.142 3.818 3.960 0.001 0.000 0.213 283 G HA3 -0.142 3.818 3.960 0.001 0.000 0.213 283 G C -0.309 174.579 174.900 -0.020 0.000 0.991 283 G CA 0.171 45.261 45.100 -0.017 0.000 0.653 283 G HN 0.818 nan 8.290 nan 0.000 0.518 284 D N 0.773 121.157 120.400 -0.025 0.000 2.232 284 D HA 0.355 4.995 4.640 0.001 0.000 0.242 284 D C -0.106 176.160 176.300 -0.055 0.000 1.093 284 D CA -0.475 53.501 54.000 -0.040 0.000 0.845 284 D CB 0.764 41.542 40.800 -0.038 0.000 1.124 284 D HN 0.024 nan 8.370 nan 0.000 0.467 285 N N 2.158 120.805 118.700 -0.088 0.000 2.508 285 N HA 0.100 4.840 4.740 0.001 0.000 0.253 285 N C -0.107 175.326 175.510 -0.127 0.000 1.145 285 N CA -0.037 52.954 53.050 -0.099 0.000 0.973 285 N CB 0.350 38.762 38.487 -0.125 0.000 1.305 285 N HN 0.269 nan 8.380 nan 0.000 0.506 286 V N -0.023 119.847 119.914 -0.072 0.000 3.352 286 V HA 1.026 5.146 4.120 0.001 0.000 0.299 286 V C 0.389 176.468 176.094 -0.026 0.000 1.228 286 V CA -0.733 61.532 62.300 -0.058 0.000 1.017 286 V CB 1.417 33.214 31.823 -0.043 0.000 1.237 286 V HN 0.375 nan 8.190 nan 0.000 0.472 287 G N -0.732 108.060 108.800 -0.014 0.000 2.760 287 G HA2 0.629 4.589 3.960 0.001 0.000 0.296 287 G HA3 0.629 4.589 3.960 0.001 0.000 0.296 287 G C -1.779 173.117 174.900 -0.008 0.000 1.427 287 G CA -0.317 44.782 45.100 -0.001 0.000 1.109 287 G HN 1.139 nan 8.290 nan 0.000 0.553 288 V N 2.442 122.339 119.914 -0.028 0.000 2.760 288 V HA 0.602 4.722 4.120 0.001 0.000 0.309 288 V C 0.222 176.295 176.094 -0.035 0.000 1.077 288 V CA -0.846 61.439 62.300 -0.025 0.000 0.910 288 V CB 1.571 33.378 31.823 -0.027 0.000 1.008 288 V HN 0.903 nan 8.190 nan 0.000 0.424 289 L N 2.928 124.139 121.223 -0.019 0.000 2.416 289 L HA 1.057 5.397 4.340 0.001 0.000 0.262 289 L C -0.142 176.716 176.870 -0.021 0.000 1.093 289 L CA -0.570 54.258 54.840 -0.019 0.000 0.801 289 L CB 0.916 42.975 42.059 -0.001 0.000 1.191 289 L HN 0.653 nan 8.230 nan 0.000 0.459 290 L N 0.354 121.564 121.223 -0.021 0.000 2.393 290 L HA 0.739 5.079 4.340 0.001 0.000 0.260 290 L C -0.189 176.672 176.870 -0.015 0.000 1.002 290 L CA -1.007 53.821 54.840 -0.020 0.000 0.818 290 L CB 1.831 43.874 42.059 -0.027 0.000 1.369 290 L HN 0.735 nan 8.230 nan 0.000 0.412 291 R N 2.040 122.532 120.500 -0.013 0.000 2.196 291 R HA 0.569 4.909 4.340 0.001 0.000 0.340 291 R C 0.914 177.207 176.300 -0.012 0.000 1.043 291 R CA 0.305 56.399 56.100 -0.010 0.000 0.883 291 R CB 1.003 31.297 30.300 -0.009 0.000 1.078 291 R HN 1.981 nan 8.270 nan 0.000 0.462 292 G N 1.594 110.388 108.800 -0.011 0.000 2.248 292 G HA2 -0.208 3.752 3.960 0.001 0.000 0.252 292 G HA3 -0.208 3.752 3.960 0.001 0.000 0.252 292 G C -0.269 174.622 174.900 -0.015 0.000 1.085 292 G CA 0.020 45.113 45.100 -0.012 0.000 0.845 292 G HN 0.598 nan 8.290 nan 0.000 0.494 293 V N -1.875 118.030 119.914 -0.015 0.000 2.462 293 V HA 0.872 4.992 4.120 0.001 0.000 0.288 293 V C 0.465 176.548 176.094 -0.018 0.000 1.020 293 V CA -0.193 62.095 62.300 -0.020 0.000 0.857 293 V CB 0.849 32.657 31.823 -0.026 0.000 1.013 293 V HN 1.582 nan 8.190 nan 0.000 0.431 294 S N 4.664 120.355 115.700 -0.016 0.000 2.596 294 S HA 0.306 4.776 4.470 0.001 0.000 0.260 294 S C 1.127 175.718 174.600 -0.016 0.000 1.336 294 S CA 0.030 58.222 58.200 -0.012 0.000 0.993 294 S CB 1.149 64.343 63.200 -0.010 0.000 0.923 294 S HN 0.973 nan 8.310 nan 0.000 0.567 295 R N 0.728 121.223 120.500 -0.009 0.000 2.148 295 R HA -0.065 4.275 4.340 0.001 0.000 0.227 295 R C 2.246 178.535 176.300 -0.018 0.000 1.103 295 R CA 1.870 57.964 56.100 -0.011 0.000 0.983 295 R CB -1.306 28.999 30.300 0.009 0.000 0.874 295 R HN 0.947 nan 8.270 nan 0.000 0.451 296 E N 0.764 120.956 120.200 -0.013 0.000 2.371 296 E HA -0.068 4.282 4.350 0.001 0.000 0.194 296 E C 1.445 178.032 176.600 -0.022 0.000 1.012 296 E CA 0.737 57.128 56.400 -0.015 0.000 0.860 296 E CB -0.324 29.370 29.700 -0.009 0.000 0.811 296 E HN 0.615 nan 8.360 nan 0.000 0.502 297 E N -0.678 119.507 120.200 -0.025 0.000 2.511 297 E HA 0.213 4.563 4.350 0.001 0.000 0.196 297 E C -0.525 176.053 176.600 -0.037 0.000 1.066 297 E CA -0.048 56.335 56.400 -0.029 0.000 0.871 297 E CB 0.524 30.208 29.700 -0.027 0.000 0.863 297 E HN 0.292 nan 8.360 nan 0.000 0.520 298 V N 0.853 120.741 119.914 -0.044 0.000 3.048 298 V HA 0.269 4.389 4.120 0.001 0.000 0.303 298 V C -1.435 174.623 176.094 -0.060 0.000 1.214 298 V CA -0.939 61.328 62.300 -0.055 0.000 0.984 298 V CB 2.471 34.253 31.823 -0.068 0.000 1.054 298 V HN 0.182 nan 8.190 nan 0.000 0.430 299 E N 1.297 121.462 120.200 -0.059 0.000 2.409 299 E HA 0.488 4.838 4.350 0.001 0.000 0.280 299 E C -0.671 175.902 176.600 -0.046 0.000 1.079 299 E CA -1.144 55.223 56.400 -0.055 0.000 0.840 299 E CB 0.736 30.414 29.700 -0.037 0.000 1.309 299 E HN 0.690 nan 8.360 nan 0.000 0.447 300 R N 0.260 120.737 120.500 -0.038 0.000 2.655 300 R HA 0.163 4.503 4.340 0.001 0.000 0.266 300 R C 1.006 177.297 176.300 -0.016 0.000 0.981 300 R CA 2.204 58.292 56.100 -0.020 0.000 1.098 300 R CB -0.448 29.848 30.300 -0.007 0.000 0.928 300 R HN 1.074 nan 8.270 nan 0.000 0.425 301 G N 1.254 110.056 108.800 0.004 0.000 2.640 301 G HA2 -0.379 3.581 3.960 0.001 0.000 0.226 301 G HA3 -0.379 3.581 3.960 0.001 0.000 0.226 301 G C 0.233 175.140 174.900 0.011 0.000 1.222 301 G CA 0.412 45.520 45.100 0.014 0.000 0.729 301 G HN 0.706 nan 8.290 nan 0.000 0.516 302 Q N 0.013 119.805 119.800 -0.013 0.000 2.700 302 Q HA 0.507 4.848 4.340 0.001 0.000 0.232 302 Q C -0.298 175.692 176.000 -0.017 0.000 1.110 302 Q CA 0.938 56.726 55.803 -0.024 0.000 1.026 302 Q CB 1.154 29.870 28.738 -0.037 0.000 1.311 302 Q HN 0.689 nan 8.270 nan 0.000 0.583 303 V N -0.183 119.715 119.914 -0.026 0.000 3.048 303 V HA 0.740 4.860 4.120 0.001 0.000 0.303 303 V C -1.426 174.650 176.094 -0.029 0.000 1.214 303 V CA -0.508 61.781 62.300 -0.020 0.000 0.984 303 V CB 1.784 33.602 31.823 -0.009 0.000 1.054 303 V HN 0.604 nan 8.190 nan 0.000 0.430 304 L N 3.384 124.592 121.223 -0.025 0.000 2.365 304 L HA 1.144 5.484 4.340 0.001 0.000 0.273 304 L C -0.109 176.748 176.870 -0.021 0.000 1.000 304 L CA 0.052 54.875 54.840 -0.027 0.000 0.819 304 L CB 1.088 43.129 42.059 -0.030 0.000 1.284 304 L HN 1.743 nan 8.230 nan 0.000 0.418 305 A N 1.603 124.410 122.820 -0.022 0.000 2.581 305 A HA 0.704 5.025 4.320 0.001 0.000 0.290 305 A C -0.188 177.386 177.584 -0.017 0.000 1.119 305 A CA -0.468 51.559 52.037 -0.017 0.000 0.670 305 A CB 0.687 19.678 19.000 -0.014 0.000 1.280 305 A HN 1.421 nan 8.150 nan 0.000 0.425 306 K N 0.831 121.224 120.400 -0.013 0.000 2.477 306 K HA 0.090 4.410 4.320 0.001 0.000 0.275 306 K C -2.274 174.318 176.600 -0.014 0.000 1.054 306 K CA -0.364 55.916 56.287 -0.012 0.000 1.135 306 K CB -0.182 32.313 32.500 -0.008 0.000 0.854 306 K HN 0.298 nan 8.250 nan 0.000 0.484 307 P HA -0.079 nan 4.420 nan 0.000 0.260 307 P C 0.569 177.860 177.300 -0.015 0.000 1.172 307 P CA 1.253 64.342 63.100 -0.017 0.000 0.760 307 P CB 0.661 32.352 31.700 -0.016 0.000 0.773 308 G N 2.596 111.385 108.800 -0.019 0.000 2.363 308 G HA2 -0.356 3.604 3.960 0.001 0.000 0.238 308 G HA3 -0.356 3.604 3.960 0.001 0.000 0.238 308 G C 1.518 176.412 174.900 -0.009 0.000 1.062 308 G CA 0.811 45.902 45.100 -0.015 0.000 0.629 308 G HN 0.631 nan 8.290 nan 0.000 0.514 309 S N 0.748 116.444 115.700 -0.007 0.000 2.482 309 S HA 0.016 4.486 4.470 0.001 0.000 0.226 309 S C 1.501 176.104 174.600 0.005 0.000 1.048 309 S CA 1.405 59.605 58.200 -0.000 0.000 1.158 309 S CB -0.232 62.967 63.200 -0.001 0.000 1.130 309 S HN 1.355 nan 8.310 nan 0.000 0.413 310 I N 2.319 122.888 120.570 -0.001 0.000 2.532 310 I HA 0.360 4.530 4.170 0.001 0.000 0.292 310 I C -0.119 175.989 176.117 -0.015 0.000 1.014 310 I CA -0.320 60.984 61.300 0.007 0.000 1.340 310 I CB 1.541 39.541 38.000 -0.000 0.000 1.422 310 I HN 0.705 nan 8.210 nan 0.000 0.528 311 T N 4.530 119.084 114.554 0.001 0.000 2.942 311 T HA 0.621 4.972 4.350 0.001 0.000 0.289 311 T C -2.757 171.746 174.700 -0.328 0.000 1.044 311 T CA -1.915 60.104 62.100 -0.135 0.000 1.023 311 T CB 1.520 70.306 68.868 -0.136 0.000 1.123 311 T HN 0.352 nan 8.240 nan 0.000 0.512 312 P HA 0.584 nan 4.420 nan 0.000 0.288 312 P C -1.314 175.519 177.300 -0.778 0.000 1.267 312 P CA -0.304 62.529 63.100 -0.445 0.000 0.815 312 P CB 0.656 32.197 31.700 -0.265 0.000 0.989 313 H N -0.780 118.220 119.070 -0.116 0.000 2.966 313 H HA 0.518 5.075 4.556 0.001 0.000 0.330 313 H C 0.623 175.901 175.328 -0.084 0.000 1.292 313 H CA -0.491 55.509 56.048 -0.080 0.000 1.127 313 H CB 1.581 31.307 29.762 -0.061 0.000 1.863 313 H HN 0.331 nan 8.280 nan 0.000 0.543 314 T N -3.544 111.081 114.554 0.119 0.000 3.010 314 T HA 0.345 4.695 4.350 0.001 0.000 0.253 314 T C 0.585 175.364 174.700 0.130 0.000 0.939 314 T CA 0.231 62.370 62.100 0.065 0.000 0.910 314 T CB 0.066 68.943 68.868 0.014 0.000 1.226 314 T HN 0.596 nan 8.240 nan 0.000 0.508 315 K N 1.354 121.841 120.400 0.146 0.000 2.274 315 K HA 0.773 5.093 4.320 0.001 0.000 0.262 315 K C -0.789 175.933 176.600 0.204 0.000 0.961 315 K CA -1.133 55.216 56.287 0.104 0.000 0.833 315 K CB 0.663 33.188 32.500 0.041 0.000 1.102 315 K HN 0.581 nan 8.250 nan 0.000 0.436 316 F N -1.530 118.416 119.950 -0.006 0.000 2.779 316 F HA 0.699 5.226 4.527 0.001 0.000 0.316 316 F C -0.487 175.352 175.800 0.065 0.000 1.164 316 F CA -1.235 56.767 58.000 0.004 0.000 0.924 316 F CB 1.272 40.262 39.000 -0.017 0.000 1.348 316 F HN 0.529 nan 8.300 nan 0.000 0.467 317 E N 0.864 121.204 120.200 0.233 0.000 2.221 317 E HA 0.814 5.164 4.350 0.001 0.000 0.268 317 E C -1.457 175.332 176.600 0.315 0.000 0.933 317 E CA -1.223 55.261 56.400 0.141 0.000 0.809 317 E CB 2.090 31.859 29.700 0.115 0.000 1.190 317 E HN 1.061 nan 8.360 nan 0.000 0.406 318 A N 1.808 124.730 122.820 0.170 0.000 2.605 318 A HA 0.420 4.741 4.320 0.001 0.000 0.294 318 A C -1.263 176.318 177.584 -0.006 0.000 1.062 318 A CA -0.608 51.569 52.037 0.234 0.000 0.682 318 A CB 1.798 21.161 19.000 0.605 0.000 1.278 318 A HN 0.401 nan 8.150 nan 0.000 0.410 319 S N 0.567 116.284 115.700 0.029 0.000 2.480 319 S HA 0.723 5.193 4.470 0.001 0.000 0.286 319 S C -0.322 174.235 174.600 -0.071 0.000 1.180 319 S CA -0.292 57.882 58.200 -0.044 0.000 1.075 319 S CB 0.403 63.605 63.200 0.004 0.000 0.996 319 S HN 1.288 nan 8.310 nan 0.000 0.487 320 V N 4.016 123.872 119.914 -0.098 0.000 3.158 320 V HA 0.650 4.770 4.120 0.001 0.000 0.311 320 V C -1.419 174.728 176.094 0.087 0.000 1.181 320 V CA -0.942 61.339 62.300 -0.032 0.000 1.054 320 V CB 1.846 33.660 31.823 -0.014 0.000 1.085 320 V HN 0.879 nan 8.190 nan 0.000 0.446 321 Y N 0.056 120.345 120.300 -0.017 0.000 2.361 321 Y HA 0.701 5.251 4.550 0.001 0.000 0.328 321 Y C -1.088 174.836 175.900 0.041 0.000 1.044 321 Y CA -0.724 57.378 58.100 0.003 0.000 1.085 321 Y CB 1.779 40.215 38.460 -0.040 0.000 1.194 321 Y HN 0.372 nan 8.280 nan 0.000 0.438 322 V N 7.380 126.915 119.914 -0.632 0.000 2.432 322 V HA 0.235 4.355 4.120 0.001 0.000 0.275 322 V C -0.078 175.548 176.094 -0.780 0.000 1.043 322 V CA -0.658 61.376 62.300 -0.443 0.000 0.925 322 V CB 0.878 32.613 31.823 -0.147 0.000 0.985 322 V HN 0.642 nan 8.190 nan 0.000 0.466 323 L N 6.077 127.080 121.223 -0.367 0.000 2.490 323 L HA 0.163 4.504 4.340 0.001 0.000 0.274 323 L C 0.901 177.679 176.870 -0.153 0.000 1.201 323 L CA 0.687 55.427 54.840 -0.167 0.000 0.869 323 L CB -0.007 42.052 42.059 -0.001 0.000 1.123 323 L HN 0.574 nan 8.230 nan 0.000 0.484 324 K N 2.527 122.884 120.400 -0.072 0.000 2.187 324 K HA 0.010 4.330 4.320 0.001 0.000 0.247 324 K C 0.962 177.510 176.600 -0.086 0.000 1.019 324 K CA -0.464 55.783 56.287 -0.067 0.000 0.893 324 K CB 0.554 33.049 32.500 -0.007 0.000 1.025 324 K HN 0.425 nan 8.250 nan 0.000 0.500 325 K N 1.472 121.800 120.400 -0.120 0.000 2.103 325 K HA -0.223 4.097 4.320 0.001 0.000 0.207 325 K C 1.278 177.785 176.600 -0.156 0.000 1.048 325 K CA 1.878 58.040 56.287 -0.209 0.000 0.930 325 K CB 0.128 32.483 32.500 -0.242 0.000 0.716 325 K HN 0.464 nan 8.250 nan 0.000 0.444 326 E N 0.905 121.056 120.200 -0.081 0.000 2.072 326 E HA -0.147 4.203 4.350 0.001 0.000 0.191 326 E C 1.179 177.762 176.600 -0.028 0.000 0.985 326 E CA 1.450 57.824 56.400 -0.044 0.000 0.801 326 E CB 0.003 29.691 29.700 -0.019 0.000 0.750 326 E HN 0.424 nan 8.360 nan 0.000 0.452 327 E N -0.104 120.088 120.200 -0.014 0.000 2.505 327 E HA 0.045 4.395 4.350 0.001 0.000 0.197 327 E C 0.658 177.254 176.600 -0.006 0.000 1.111 327 E CA 0.311 56.716 56.400 0.009 0.000 0.887 327 E CB -0.150 29.581 29.700 0.052 0.000 0.913 327 E HN 0.398 nan 8.360 nan 0.000 0.517 328 G N 0.801 109.579 108.800 -0.038 0.000 2.148 328 G HA2 -0.283 3.678 3.960 0.001 0.000 0.254 328 G HA3 -0.283 3.678 3.960 0.001 0.000 0.254 328 G C 0.577 175.445 174.900 -0.052 0.000 0.981 328 G CA -0.139 44.936 45.100 -0.040 0.000 0.670 328 G HN 0.531 nan 8.290 nan 0.000 0.528 329 G N -0.713 108.044 108.800 -0.072 0.000 2.553 329 G HA2 0.530 4.491 3.960 0.001 0.000 0.278 329 G HA3 0.530 4.491 3.960 0.001 0.000 0.278 329 G C 0.604 175.444 174.900 -0.101 0.000 1.349 329 G CA -0.297 44.764 45.100 -0.065 0.000 1.037 329 G HN 0.577 nan 8.290 nan 0.000 0.508 330 R N -1.472 118.998 120.500 -0.049 0.000 2.919 330 R HA 0.022 4.363 4.340 0.001 0.000 0.271 330 R C 1.147 177.391 176.300 -0.094 0.000 0.995 330 R CA 0.132 56.229 56.100 -0.005 0.000 1.158 330 R CB 0.159 30.471 30.300 0.021 0.000 1.071 330 R HN 0.663 nan 8.270 nan 0.000 0.476 331 H N -0.861 118.203 119.070 -0.010 0.000 2.557 331 H HA 0.062 4.618 4.556 0.001 0.000 0.281 331 H C 0.533 175.847 175.328 -0.023 0.000 0.990 331 H CA 1.082 57.123 56.048 -0.012 0.000 1.278 331 H CB 0.830 30.590 29.762 -0.004 0.000 1.451 331 H HN 0.601 nan 8.280 nan 0.000 0.516 332 T N -1.652 112.951 114.554 0.081 0.000 2.762 332 T HA 0.576 4.926 4.350 0.001 0.000 0.272 332 T C 0.841 175.509 174.700 -0.054 0.000 0.982 332 T CA -0.606 61.498 62.100 0.006 0.000 1.013 332 T CB 1.835 70.711 68.868 0.013 0.000 1.309 332 T HN 0.154 nan 8.240 nan 0.000 0.572 333 G N -0.557 108.156 108.800 -0.144 0.000 2.702 333 G HA2 0.743 4.703 3.960 0.001 0.000 0.254 333 G HA3 0.743 4.703 3.960 0.001 0.000 0.254 333 G C -1.173 173.523 174.900 -0.339 0.000 1.380 333 G CA -1.065 43.860 45.100 -0.291 0.000 1.042 333 G HN 0.971 nan 8.290 nan 0.000 0.557 334 F N -3.185 116.328 119.950 -0.728 0.000 2.773 334 F HA 0.774 5.301 4.527 0.001 0.000 0.314 334 F C -1.762 173.466 175.800 -0.954 0.000 1.160 334 F CA -1.917 55.581 58.000 -0.837 0.000 0.920 334 F CB 1.048 39.497 39.000 -0.919 0.000 1.323 334 F HN 0.392 nan 8.300 nan 0.000 0.457 335 F N -0.495 119.478 119.950 0.038 0.000 2.740 335 F HA 0.701 5.228 4.527 0.001 0.000 0.357 335 F C 0.466 176.331 175.800 0.108 0.000 1.141 335 F CA -1.605 56.391 58.000 -0.006 0.000 1.044 335 F CB 0.859 39.850 39.000 -0.016 0.000 1.430 335 F HN 0.523 nan 8.300 nan 0.000 0.518 336 S N 0.095 115.957 115.700 0.270 0.000 2.558 336 S HA 0.361 4.831 4.470 0.001 0.000 0.288 336 S C 0.923 175.630 174.600 0.177 0.000 1.318 336 S CA 1.033 59.330 58.200 0.162 0.000 1.056 336 S CB 0.172 63.436 63.200 0.106 0.000 0.853 336 S HN 1.149 nan 8.310 nan 0.000 0.505 337 G N 1.679 110.561 108.800 0.137 0.000 2.259 337 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 337 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 337 G C 0.038 175.037 174.900 0.166 0.000 1.001 337 G CA -0.097 45.079 45.100 0.126 0.000 0.627 337 G HN 0.742 nan 8.290 nan 0.000 0.501 338 Y N 2.647 122.975 120.300 0.046 0.000 2.969 338 Y HA 0.272 4.822 4.550 0.001 0.000 0.339 338 Y C 0.927 176.799 175.900 -0.045 0.000 1.272 338 Y CA 0.632 58.715 58.100 -0.029 0.000 1.577 338 Y CB 0.264 38.624 38.460 -0.166 0.000 1.234 338 Y HN 0.426 nan 8.280 nan 0.000 0.590 339 R N 8.521 128.880 120.500 -0.234 0.000 2.443 339 R HA 0.421 4.761 4.340 0.001 0.000 0.287 339 R C -2.880 173.180 176.300 -0.400 0.000 1.425 339 R CA -1.577 54.383 56.100 -0.234 0.000 1.300 339 R CB 0.638 30.898 30.300 -0.065 0.000 1.129 339 R HN 0.487 nan 8.270 nan 0.000 0.577 340 P HA 0.296 nan 4.420 nan 0.000 0.330 340 P C -1.627 175.581 177.300 -0.152 0.000 1.274 340 P CA -0.588 62.208 63.100 -0.508 0.000 0.802 340 P CB 1.208 32.350 31.700 -0.931 0.000 1.384 341 Q N -0.045 119.631 119.800 -0.207 0.000 2.345 341 Q HA 0.520 4.861 4.340 0.001 0.000 0.268 341 Q C -1.685 174.267 176.000 -0.080 0.000 1.054 341 Q CA -0.506 55.335 55.803 0.063 0.000 0.835 341 Q CB 1.356 30.120 28.738 0.043 0.000 1.339 341 Q HN 0.267 nan 8.270 nan 0.000 0.447 342 F N 1.362 121.332 119.950 0.035 0.000 2.449 342 F HA 0.270 4.797 4.527 0.001 0.000 0.342 342 F C -0.552 175.290 175.800 0.070 0.000 1.127 342 F CA -1.499 56.516 58.000 0.025 0.000 0.975 342 F CB 0.778 39.733 39.000 -0.076 0.000 1.146 342 F HN 0.510 nan 8.300 nan 0.000 0.444 343 Y N 4.275 124.623 120.300 0.080 0.000 2.632 343 Y HA 0.314 4.864 4.550 0.001 0.000 0.336 343 Y C -0.724 175.200 175.900 0.040 0.000 1.237 343 Y CA -1.699 56.446 58.100 0.075 0.000 1.595 343 Y CB -0.596 37.890 38.460 0.043 0.000 1.508 343 Y HN 0.407 nan 8.280 nan 0.000 0.480 344 F N 5.998 126.189 119.950 0.401 0.000 2.619 344 F HA 0.244 4.771 4.527 0.001 0.000 0.350 344 F C 1.072 177.028 175.800 0.260 0.000 1.259 344 F CA 0.123 58.285 58.000 0.270 0.000 1.204 344 F CB -0.100 38.964 39.000 0.108 0.000 1.556 344 F HN 0.586 nan 8.300 nan 0.000 0.650 345 R N -0.885 119.856 120.500 0.402 0.000 1.257 345 R HA -0.248 4.092 4.340 0.001 0.000 0.016 345 R C 1.673 178.253 176.300 0.466 0.000 0.960 345 R CA 1.844 58.113 56.100 0.282 0.000 1.976 345 R CB -1.450 28.980 30.300 0.217 0.000 0.149 345 R HN 0.521 nan 8.270 nan 0.000 0.731 346 T N -2.206 112.602 114.554 0.424 0.000 2.964 346 T HA 0.114 4.464 4.350 0.001 0.000 0.249 346 T C 1.004 175.735 174.700 0.051 0.000 1.000 346 T CA 0.667 62.981 62.100 0.357 0.000 0.992 346 T CB 0.352 69.315 68.868 0.158 0.000 1.087 346 T HN 0.584 nan 8.240 nan 0.000 0.489 347 T N 0.818 115.404 114.554 0.053 0.000 2.729 347 T HA 0.409 4.760 4.350 0.001 0.000 0.298 347 T C -0.986 173.555 174.700 -0.264 0.000 1.013 347 T CA -0.128 61.929 62.100 -0.071 0.000 0.957 347 T CB 0.688 69.596 68.868 0.067 0.000 1.130 347 T HN 0.150 nan 8.240 nan 0.000 0.526 348 D N -0.013 120.318 120.400 -0.115 0.000 2.826 348 D HA 0.366 5.007 4.640 0.001 0.000 0.239 348 D C -1.064 175.270 176.300 0.057 0.000 1.329 348 D CA -0.306 53.654 54.000 -0.067 0.000 0.854 348 D CB 0.687 41.366 40.800 -0.202 0.000 1.494 348 D HN 0.486 nan 8.370 nan 0.000 0.540 349 V N 1.010 121.025 119.914 0.169 0.000 2.863 349 V HA 0.542 4.662 4.120 0.001 0.000 0.307 349 V C 0.763 176.984 176.094 0.211 0.000 1.061 349 V CA -0.181 62.203 62.300 0.139 0.000 1.024 349 V CB 1.980 33.857 31.823 0.090 0.000 1.049 349 V HN 0.374 nan 8.190 nan 0.000 0.471 350 T N 2.282 116.901 114.554 0.108 0.000 2.907 350 T HA 0.725 5.075 4.350 0.001 0.000 0.284 350 T C 0.152 174.867 174.700 0.025 0.000 1.004 350 T CA -0.010 62.166 62.100 0.126 0.000 1.063 350 T CB 1.470 70.372 68.868 0.056 0.000 0.992 350 T HN 1.108 nan 8.240 nan 0.000 0.483 351 G N 0.292 109.148 108.800 0.094 0.000 2.623 351 G HA2 0.582 4.542 3.960 0.001 0.000 0.290 351 G HA3 0.582 4.542 3.960 0.001 0.000 0.290 351 G C -1.349 173.583 174.900 0.053 0.000 1.437 351 G CA -0.726 44.344 45.100 -0.051 0.000 0.798 351 G HN 0.838 nan 8.290 nan 0.000 0.488 352 V N -0.995 118.917 119.914 -0.004 0.000 2.448 352 V HA 0.767 4.887 4.120 0.001 0.000 0.295 352 V C 0.307 176.398 176.094 -0.004 0.000 1.025 352 V CA -1.058 61.246 62.300 0.008 0.000 0.859 352 V CB 1.018 32.843 31.823 0.004 0.000 0.988 352 V HN 0.670 nan 8.190 nan 0.000 0.431 353 V N 3.497 123.404 119.914 -0.011 0.000 2.775 353 V HA 0.405 4.526 4.120 0.001 0.000 0.299 353 V C 0.167 176.221 176.094 -0.067 0.000 1.062 353 V CA -0.003 62.220 62.300 -0.128 0.000 1.063 353 V CB 1.231 32.874 31.823 -0.300 0.000 0.994 353 V HN 1.008 nan 8.190 nan 0.000 0.483 354 Q N 3.481 123.243 119.800 -0.064 0.000 2.616 354 Q HA 0.431 4.771 4.340 0.001 0.000 0.250 354 Q C -0.965 175.075 176.000 0.067 0.000 0.991 354 Q CA -0.213 55.601 55.803 0.018 0.000 0.707 354 Q CB 0.826 29.584 28.738 0.034 0.000 1.247 354 Q HN 0.716 nan 8.270 nan 0.000 0.491 355 L N 5.385 126.638 121.223 0.050 0.000 2.540 355 L HA 0.245 4.586 4.340 0.001 0.000 0.276 355 L C -1.653 175.281 176.870 0.107 0.000 1.212 355 L CA -1.087 53.813 54.840 0.100 0.000 0.893 355 L CB 0.009 42.104 42.059 0.060 0.000 1.138 355 L HN 0.453 nan 8.230 nan 0.000 0.491 356 P HA 0.322 nan 4.420 nan 0.000 0.279 356 P C -2.663 174.679 177.300 0.070 0.000 1.276 356 P CA -1.977 61.180 63.100 0.096 0.000 0.801 356 P CB -0.164 31.600 31.700 0.105 0.000 1.127 357 P HA 0.117 nan 4.420 nan 0.000 0.265 357 P C 1.004 178.328 177.300 0.041 0.000 1.193 357 P CA 1.246 64.372 63.100 0.042 0.000 0.765 357 P CB -0.224 31.497 31.700 0.035 0.000 0.823 358 G N 1.147 109.967 108.800 0.033 0.000 2.284 358 G HA2 -0.199 3.761 3.960 0.001 0.000 0.230 358 G HA3 -0.199 3.761 3.960 0.001 0.000 0.230 358 G C -0.144 174.773 174.900 0.027 0.000 1.021 358 G CA -0.118 44.999 45.100 0.028 0.000 0.619 358 G HN 0.554 nan 8.290 nan 0.000 0.510 359 V N 1.347 121.284 119.914 0.037 0.000 2.347 359 V HA 0.552 4.672 4.120 0.001 0.000 0.280 359 V C 0.844 176.957 176.094 0.032 0.000 1.021 359 V CA 0.218 62.535 62.300 0.029 0.000 0.847 359 V CB 1.393 33.245 31.823 0.048 0.000 0.990 359 V HN 0.463 nan 8.190 nan 0.000 0.444 360 E N 3.821 124.035 120.200 0.024 0.000 2.290 360 E HA 0.309 4.659 4.350 0.001 0.000 0.199 360 E C 0.402 177.069 176.600 0.112 0.000 0.912 360 E CA 0.248 56.691 56.400 0.073 0.000 0.924 360 E CB 0.980 30.725 29.700 0.074 0.000 0.901 360 E HN 0.689 nan 8.360 nan 0.000 0.487 361 M N 0.494 120.064 119.600 -0.051 0.000 2.520 361 M HA 0.441 4.922 4.480 0.001 0.000 0.283 361 M C -2.053 173.977 176.300 -0.449 0.000 1.237 361 M CA -0.769 54.337 55.300 -0.324 0.000 0.885 361 M CB 2.313 34.751 32.600 -0.270 0.000 1.727 361 M HN -0.239 nan 8.290 nan 0.000 0.468 362 V N 3.600 123.035 119.914 -0.799 0.000 2.588 362 V HA 0.590 4.710 4.120 0.001 0.000 0.304 362 V C -0.540 175.153 176.094 -0.669 0.000 1.042 362 V CA -0.559 61.298 62.300 -0.738 0.000 0.877 362 V CB 1.930 33.139 31.823 -1.023 0.000 0.996 362 V HN 0.981 nan 8.190 nan 0.000 0.425 363 M N 4.549 123.929 119.600 -0.366 0.000 2.724 363 M HA 0.560 5.041 4.480 0.001 0.000 0.310 363 M C -2.780 173.417 176.300 -0.170 0.000 1.217 363 M CA -2.026 53.125 55.300 -0.247 0.000 0.894 363 M CB 1.951 34.444 32.600 -0.178 0.000 1.719 363 M HN 0.282 nan 8.290 nan 0.000 0.479 364 P HA 0.054 nan 4.420 nan 0.000 0.262 364 P C 0.719 177.927 177.300 -0.153 0.000 1.182 364 P CA 1.183 64.204 63.100 -0.132 0.000 0.761 364 P CB 0.326 31.962 31.700 -0.106 0.000 0.795 365 G N 1.983 110.625 108.800 -0.264 0.000 2.213 365 G HA2 -0.189 3.771 3.960 0.001 0.000 0.236 365 G HA3 -0.189 3.771 3.960 0.001 0.000 0.236 365 G C 0.033 174.839 174.900 -0.156 0.000 0.991 365 G CA -0.306 44.670 45.100 -0.207 0.000 0.629 365 G HN 0.492 nan 8.290 nan 0.000 0.517 366 D N 0.904 121.202 120.400 -0.171 0.000 2.382 366 D HA 0.378 5.018 4.640 0.001 0.000 0.240 366 D C 0.450 176.740 176.300 -0.018 0.000 1.146 366 D CA 0.246 54.201 54.000 -0.075 0.000 0.897 366 D CB 0.323 41.069 40.800 -0.090 0.000 1.197 366 D HN 0.381 nan 8.370 nan 0.000 0.432 367 N N 0.234 118.970 118.700 0.061 0.000 2.417 367 N HA 0.443 5.183 4.740 0.001 0.000 0.274 367 N C -1.093 174.456 175.510 0.065 0.000 0.987 367 N CA -0.524 52.591 53.050 0.108 0.000 0.912 367 N CB 1.632 40.194 38.487 0.126 0.000 1.177 367 N HN 0.042 nan 8.380 nan 0.000 0.490 368 V N 0.615 120.564 119.914 0.058 0.000 3.165 368 V HA 0.587 4.707 4.120 0.001 0.000 0.309 368 V C -0.380 175.691 176.094 -0.038 0.000 1.267 368 V CA -0.673 61.659 62.300 0.053 0.000 1.067 368 V CB 2.275 34.196 31.823 0.165 0.000 1.082 368 V HN 0.532 nan 8.190 nan 0.000 0.451 369 T N 2.776 117.318 114.554 -0.020 0.000 3.170 369 T HA 0.714 5.064 4.350 0.001 0.000 0.315 369 T C -1.171 173.544 174.700 0.025 0.000 0.967 369 T CA -0.201 61.846 62.100 -0.087 0.000 1.024 369 T CB 0.655 69.528 68.868 0.008 0.000 1.018 369 T HN 0.684 nan 8.240 nan 0.000 0.449 370 F N -0.508 119.511 119.950 0.115 0.000 2.643 370 F HA 0.852 5.379 4.527 0.001 0.000 0.314 370 F C 0.145 175.961 175.800 0.027 0.000 1.096 370 F CA -1.439 56.610 58.000 0.082 0.000 0.953 370 F CB 0.348 39.417 39.000 0.115 0.000 1.345 370 F HN 0.392 nan 8.300 nan 0.000 0.468 371 T N -0.381 114.370 114.554 0.329 0.000 2.918 371 T HA 0.800 5.150 4.350 0.001 0.000 0.283 371 T C -0.687 174.040 174.700 0.044 0.000 1.001 371 T CA -0.648 61.506 62.100 0.090 0.000 1.041 371 T CB 1.670 70.558 68.868 0.034 0.000 1.028 371 T HN 0.710 nan 8.240 nan 0.000 0.511 372 V N 0.650 120.376 119.914 -0.314 0.000 3.049 372 V HA 0.626 4.746 4.120 0.001 0.000 0.309 372 V C -0.769 175.113 176.094 -0.352 0.000 1.148 372 V CA -0.910 61.171 62.300 -0.366 0.000 0.990 372 V CB 2.125 33.596 31.823 -0.586 0.000 1.039 372 V HN 1.077 nan 8.190 nan 0.000 0.430 373 E N 2.406 122.494 120.200 -0.187 0.000 2.263 373 E HA 0.674 5.024 4.350 0.001 0.000 0.268 373 E C -1.945 174.593 176.600 -0.103 0.000 0.884 373 E CA -0.551 55.787 56.400 -0.102 0.000 0.766 373 E CB 1.971 31.638 29.700 -0.056 0.000 1.196 373 E HN 0.562 nan 8.360 nan 0.000 0.416 374 L N 4.236 125.409 121.223 -0.084 0.000 2.332 374 L HA 0.495 4.835 4.340 0.001 0.000 0.269 374 L C 1.690 178.523 176.870 -0.061 0.000 1.016 374 L CA -0.611 54.166 54.840 -0.106 0.000 0.809 374 L CB 0.953 42.924 42.059 -0.146 0.000 1.280 374 L HN 0.664 nan 8.230 nan 0.000 0.447 375 I N -2.004 118.535 120.570 -0.052 0.000 2.252 375 I HA -0.017 4.154 4.170 0.001 0.000 0.245 375 I C 0.415 176.508 176.117 -0.039 0.000 1.102 375 I CA 1.236 62.515 61.300 -0.035 0.000 1.385 375 I CB -0.314 37.672 38.000 -0.024 0.000 1.064 375 I HN 0.447 nan 8.210 nan 0.000 0.414 376 K N 1.524 121.894 120.400 -0.050 0.000 2.259 376 K HA 0.524 4.845 4.320 0.001 0.000 0.249 376 K C -2.569 173.983 176.600 -0.080 0.000 0.942 376 K CA -2.063 54.190 56.287 -0.057 0.000 0.816 376 K CB 1.452 33.921 32.500 -0.052 0.000 1.155 376 K HN -0.085 nan 8.250 nan 0.000 0.428 377 P HA 0.174 nan 4.420 nan 0.000 0.272 377 P C -0.861 176.349 177.300 -0.150 0.000 1.223 377 P CA -0.435 62.599 63.100 -0.111 0.000 0.784 377 P CB 0.667 32.301 31.700 -0.110 0.000 0.923 378 V N 0.226 120.021 119.914 -0.199 0.000 3.087 378 V HA 0.561 4.682 4.120 0.001 0.000 0.306 378 V C -0.348 175.598 176.094 -0.245 0.000 1.187 378 V CA -1.218 60.929 62.300 -0.255 0.000 0.999 378 V CB 2.085 33.651 31.823 -0.428 0.000 1.049 378 V HN 0.623 nan 8.190 nan 0.000 0.431 379 A N 4.362 127.058 122.820 -0.207 0.000 2.444 379 A HA 0.635 4.956 4.320 0.001 0.000 0.287 379 A C -0.541 176.945 177.584 -0.162 0.000 1.195 379 A CA 0.338 52.286 52.037 -0.148 0.000 0.858 379 A CB -0.604 18.336 19.000 -0.100 0.000 1.117 379 A HN 0.686 nan 8.150 nan 0.000 0.521 380 L N 2.648 123.829 121.223 -0.069 0.000 2.354 380 L HA 0.705 5.045 4.340 0.001 0.000 0.269 380 L C 0.002 176.861 176.870 -0.018 0.000 1.005 380 L CA -0.589 54.184 54.840 -0.112 0.000 0.819 380 L CB 2.196 44.119 42.059 -0.227 0.000 1.311 380 L HN 0.923 nan 8.230 nan 0.000 0.423 381 E N 0.525 120.694 120.200 -0.051 0.000 2.352 381 E HA 0.349 4.699 4.350 0.001 0.000 0.280 381 E C -1.406 175.191 176.600 -0.005 0.000 0.930 381 E CA -0.967 55.423 56.400 -0.017 0.000 0.765 381 E CB 1.840 31.545 29.700 0.008 0.000 1.219 381 E HN 0.420 nan 8.360 nan 0.000 0.434 382 E N 0.307 120.509 120.200 0.003 0.000 2.481 382 E HA 0.194 4.545 4.350 0.001 0.000 0.263 382 E C 0.964 177.590 176.600 0.044 0.000 0.992 382 E CA 2.323 58.742 56.400 0.031 0.000 0.938 382 E CB 0.404 30.122 29.700 0.029 0.000 0.933 382 E HN 0.848 nan 8.360 nan 0.000 0.453 383 G N 2.570 111.408 108.800 0.063 0.000 2.268 383 G HA2 -0.304 3.657 3.960 0.001 0.000 0.240 383 G HA3 -0.304 3.657 3.960 0.001 0.000 0.240 383 G C 0.022 174.965 174.900 0.072 0.000 1.010 383 G CA 0.116 45.250 45.100 0.056 0.000 0.618 383 G HN 0.524 nan 8.290 nan 0.000 0.516 384 L N 2.732 124.014 121.223 0.099 0.000 2.562 384 L HA 0.566 4.906 4.340 0.001 0.000 0.271 384 L C 0.897 177.903 176.870 0.227 0.000 1.167 384 L CA -0.020 54.910 54.840 0.151 0.000 0.917 384 L CB 0.050 42.206 42.059 0.162 0.000 1.187 384 L HN 0.394 nan 8.230 nan 0.000 0.482 385 R N 4.067 124.650 120.500 0.138 0.000 2.583 385 R HA 0.654 4.994 4.340 0.001 0.000 0.268 385 R C -0.751 175.625 176.300 0.128 0.000 1.101 385 R CA 0.069 56.187 56.100 0.030 0.000 1.180 385 R CB 0.696 30.959 30.300 -0.062 0.000 1.128 385 R HN 0.777 nan 8.270 nan 0.000 0.568 386 F N -1.845 118.038 119.950 -0.110 0.000 3.250 386 F HA 0.727 5.255 4.527 0.001 0.000 0.326 386 F C -1.962 173.737 175.800 -0.170 0.000 1.154 386 F CA -1.139 56.703 58.000 -0.263 0.000 0.870 386 F CB 0.781 39.337 39.000 -0.739 0.000 1.476 386 F HN 0.562 nan 8.300 nan 0.000 0.491 387 A N 0.436 123.357 122.820 0.170 0.000 2.587 387 A HA 0.866 5.186 4.320 0.001 0.000 0.293 387 A C -1.873 175.794 177.584 0.138 0.000 1.087 387 A CA -0.805 51.280 52.037 0.079 0.000 0.692 387 A CB 1.570 20.568 19.000 -0.003 0.000 1.291 387 A HN 0.797 nan 8.150 nan 0.000 0.407 388 I N 0.772 121.347 120.570 0.008 0.000 2.646 388 I HA 0.731 4.901 4.170 0.001 0.000 0.299 388 I C 0.131 176.179 176.117 -0.114 0.000 1.036 388 I CA -0.523 60.670 61.300 -0.179 0.000 1.074 388 I CB 2.259 40.111 38.000 -0.247 0.000 1.258 388 I HN 0.896 nan 8.210 nan 0.000 0.430 389 R N 2.891 123.298 120.500 -0.154 0.000 2.734 389 R HA 0.591 4.932 4.340 0.001 0.000 0.271 389 R C -1.587 174.657 176.300 -0.092 0.000 1.021 389 R CA -0.956 55.101 56.100 -0.072 0.000 0.893 389 R CB 1.783 32.082 30.300 -0.002 0.000 1.244 389 R HN 0.476 nan 8.270 nan 0.000 0.464 390 E N 0.819 120.997 120.200 -0.037 0.000 2.489 390 E HA 0.266 4.616 4.350 0.001 0.000 0.232 390 E C -0.578 176.021 176.600 -0.001 0.000 0.990 390 E CA -0.271 56.115 56.400 -0.024 0.000 0.768 390 E CB 1.472 31.186 29.700 0.024 0.000 1.270 390 E HN 0.950 nan 8.360 nan 0.000 0.423 391 G N 1.705 110.500 108.800 -0.008 0.000 2.473 391 G HA2 -0.218 3.742 3.960 0.001 0.000 0.289 391 G HA3 -0.218 3.742 3.960 0.001 0.000 0.289 391 G C 0.899 175.808 174.900 0.016 0.000 1.084 391 G CA 0.262 45.365 45.100 0.005 0.000 1.215 391 G HN 0.937 nan 8.290 nan 0.000 0.527 392 G N 0.288 109.099 108.800 0.019 0.000 2.530 392 G HA2 -0.393 3.568 3.960 0.001 0.000 0.247 392 G HA3 -0.393 3.568 3.960 0.001 0.000 0.247 392 G C 0.930 175.856 174.900 0.044 0.000 1.067 392 G CA 1.349 46.473 45.100 0.039 0.000 0.650 392 G HN 1.454 nan 8.290 nan 0.000 0.531 393 R N 2.334 122.853 120.500 0.033 0.000 2.351 393 R HA 0.342 4.682 4.340 0.001 0.000 0.318 393 R C -0.329 175.986 176.300 0.025 0.000 1.055 393 R CA 0.497 56.616 56.100 0.033 0.000 0.968 393 R CB -0.179 30.143 30.300 0.037 0.000 0.974 393 R HN 0.241 nan 8.270 nan 0.000 0.439 394 T N 4.381 118.950 114.554 0.025 0.000 2.834 394 T HA 0.092 4.442 4.350 0.001 0.000 0.298 394 T C 1.391 176.096 174.700 0.008 0.000 0.966 394 T CA -0.339 61.771 62.100 0.016 0.000 1.141 394 T CB 1.019 69.897 68.868 0.016 0.000 0.905 394 T HN 0.596 nan 8.240 nan 0.000 0.535 395 V N 0.683 120.595 119.914 -0.003 0.000 3.612 395 V HA 0.645 4.766 4.120 0.001 0.000 0.268 395 V C 0.753 176.841 176.094 -0.009 0.000 1.365 395 V CA 0.570 62.868 62.300 -0.004 0.000 1.044 395 V CB -0.088 31.738 31.823 0.006 0.000 0.820 395 V HN 0.916 nan 8.190 nan 0.000 0.444 396 G N -0.847 107.952 108.800 -0.001 0.000 2.645 396 G HA2 0.861 4.821 3.960 0.001 0.000 0.292 396 G HA3 0.861 4.821 3.960 0.001 0.000 0.292 396 G C -1.547 173.364 174.900 0.019 0.000 1.415 396 G CA -0.295 44.816 45.100 0.018 0.000 0.785 396 G HN 1.250 nan 8.290 nan 0.000 0.483 397 A N -1.304 121.522 122.820 0.009 0.000 2.547 397 A HA 0.919 5.239 4.320 0.001 0.000 0.298 397 A C -0.136 177.273 177.584 -0.291 0.000 1.062 397 A CA 0.426 52.376 52.037 -0.146 0.000 0.748 397 A CB 1.335 20.274 19.000 -0.101 0.000 1.288 397 A HN 2.244 nan 8.150 nan 0.000 0.396 398 G N -0.605 107.687 108.800 -0.847 0.000 2.870 398 G HA2 0.930 4.891 3.960 0.001 0.000 0.299 398 G HA3 0.930 4.891 3.960 0.001 0.000 0.299 398 G C -0.786 173.492 174.900 -1.037 0.000 1.324 398 G CA 0.088 44.716 45.100 -0.787 0.000 0.808 398 G HN 2.250 nan 8.290 nan 0.000 0.535 399 V N -2.182 117.499 119.914 -0.387 0.000 2.971 399 V HA 0.776 4.896 4.120 0.001 0.000 0.309 399 V C -0.533 175.746 176.094 0.307 0.000 1.130 399 V CA -0.974 61.308 62.300 -0.030 0.000 0.964 399 V CB 1.480 33.278 31.823 -0.042 0.000 1.029 399 V HN 0.798 nan 8.190 nan 0.000 0.427 400 V N 3.816 123.955 119.914 0.375 0.000 2.555 400 V HA 0.364 4.485 4.120 0.001 0.000 0.286 400 V C 1.626 177.838 176.094 0.197 0.000 1.044 400 V CA 0.801 63.293 62.300 0.319 0.000 1.026 400 V CB 0.810 32.709 31.823 0.126 0.000 0.981 400 V HN 1.229 nan 8.190 nan 0.000 0.480 401 T N 0.721 115.399 114.554 0.206 0.000 2.971 401 T HA 0.312 4.663 4.350 0.001 0.000 0.252 401 T C 0.286 175.050 174.700 0.107 0.000 1.022 401 T CA -0.082 62.096 62.100 0.130 0.000 0.980 401 T CB 0.233 69.168 68.868 0.112 0.000 1.044 401 T HN 0.530 nan 8.240 nan 0.000 0.501 402 K N 0.412 120.892 120.400 0.134 0.000 2.589 402 K HA 0.494 4.814 4.320 0.001 0.000 0.265 402 K C -1.936 174.722 176.600 0.097 0.000 0.935 402 K CA -0.839 55.501 56.287 0.088 0.000 0.850 402 K CB 1.597 34.143 32.500 0.076 0.000 1.372 402 K HN 0.007 nan 8.250 nan 0.000 0.420 403 I N 6.172 126.743 120.570 0.002 0.000 2.385 403 I HA 0.249 4.419 4.170 0.001 0.000 0.294 403 I C 0.687 176.772 176.117 -0.053 0.000 0.988 403 I CA -0.303 60.948 61.300 -0.081 0.000 1.265 403 I CB 1.163 38.971 38.000 -0.320 0.000 1.388 403 I HN 0.735 nan 8.210 nan 0.000 0.480 404 L N 3.076 124.290 121.223 -0.015 0.000 2.919 404 L HA 0.357 4.697 4.340 0.001 0.000 0.169 404 L C 0.693 177.572 176.870 0.014 0.000 1.228 404 L CA 0.037 54.882 54.840 0.008 0.000 0.862 404 L CB 0.015 42.095 42.059 0.035 0.000 1.313 404 L HN 0.484 nan 8.230 nan 0.000 0.526 405 E N 0.000 120.229 120.200 0.048 0.000 2.725 405 E HA 0.000 4.350 4.350 0.001 0.000 0.291 405 E CA 0.000 56.447 56.400 0.078 0.000 0.976 405 E CB 0.000 29.731 29.700 0.051 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440