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 3g63_1_A DATA FIRST_RESID 1000 DATA SEQUENCE MDINGGGATL PQALYQTSGV LTAGFAQYIG VGSGNGKAAF LNNDYTKFQA DATA SEQUENCE GVTNKNVHWA GSDSKLSATE LSTYASAKQP TWGKLIQVPS VGTSVAIPFN DATA SEQUENCE KSGSAAVNLS VQELcGVFSG RINTWDGISG SGRTGPIVVV YRSESSGTTE DATA SEQUENCE LFTRFLNAKc NAETGNFAVT TTFGTSFSGG LPAGAVAATG SQGVMTALAA DATA SEQUENCE GDGRITYMSP DFAAPTLAGL DDATKVARVG KNVATNTQGV SPAAANVSAA DATA SEQUENCE IGAVPVPAAA DRSNPDAWVP VFGPDNTAGV QPYPTSGYPI LGFTNLIFSQ DATA SEQUENCE cYADATQTTQ VRDFFTKHYG ASNNNDAAIT ANAFVPLPTA WKATVRASFL DATA SEQUENCE TASNALSIGN TNVcNGIGRP LL 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 1000 M HA 0.000 4.456 4.480 -0.039 0.000 0.227 1000 M C 0.000 176.240 176.300 -0.099 0.000 1.140 1000 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 1000 M CB 0.000 32.585 32.600 -0.026 0.000 1.302 1001 D N 0.253 120.607 120.400 -0.077 0.000 2.354 1001 D HA 0.192 4.772 4.640 -0.159 -0.036 0.247 1001 D C -0.166 176.009 176.300 -0.208 0.000 1.138 1001 D CA -1.126 52.801 54.000 -0.121 0.000 0.958 1001 D CB 0.901 41.678 40.800 -0.039 0.000 1.144 1001 D HN -0.096 8.248 8.370 -0.044 0.000 0.458 1002 I N 0.734 121.086 120.570 -0.365 0.000 2.517 1002 I HA -0.275 3.256 4.170 -1.065 0.000 0.285 1002 I C -0.549 175.528 176.117 -0.067 0.000 1.106 1002 I CA -1.057 59.907 61.300 -0.559 0.000 1.402 1002 I CB -1.405 35.995 38.000 -0.999 0.000 1.399 1002 I HN 0.419 8.427 8.210 -0.336 0.000 0.535 1003 N N 8.619 127.530 118.700 0.351 0.000 2.424 1003 N HA 0.190 5.056 4.740 0.210 0.000 0.271 1003 N C -1.631 173.972 175.510 0.155 0.000 0.985 1003 N CA -0.678 52.572 53.050 0.334 0.000 0.921 1003 N CB 2.417 41.206 38.487 0.504 0.000 1.149 1003 N HN 0.517 9.515 8.380 1.028 0.000 0.492 1004 G N -0.379 108.218 108.800 -0.339 0.000 2.658 1004 G HA2 0.701 4.306 3.960 -1.002 0.000 0.292 1004 G HA3 0.701 2.919 3.960 -2.903 0.000 0.292 1004 G C -2.349 171.571 174.900 -1.633 0.000 1.320 1004 G CA -1.539 42.731 45.100 -1.383 0.000 0.933 1004 G HN 0.159 8.336 8.290 -0.188 0.000 0.476 1005 G N -3.205 104.456 108.800 -1.898 0.000 2.320 1005 G HA2 0.442 2.649 3.960 -2.972 0.000 0.296 1005 G HA3 0.442 2.850 3.960 -2.645 -0.036 0.296 1005 G C -1.965 172.312 174.900 -1.039 0.000 1.306 1005 G CA 0.440 44.243 45.100 -2.162 0.000 0.836 1005 G HN -0.595 6.806 8.290 -1.483 0.000 0.517 1006 G N -1.531 106.869 108.800 -0.668 0.000 2.178 1006 G HA2 -0.227 3.830 3.960 -0.016 0.000 0.147 1006 G HA3 -0.227 3.917 3.960 -0.004 -0.187 0.147 1006 G C -1.884 173.045 174.900 0.049 0.000 1.245 1006 G CA 0.236 45.271 45.100 -0.107 0.000 1.275 1006 G HN 0.240 8.036 8.290 -0.824 0.000 0.491 1007 A N 2.173 125.112 122.820 0.197 0.000 2.608 1007 A HA -0.122 4.348 4.320 0.144 -0.063 0.239 1007 A C 1.071 178.815 177.584 0.266 0.000 1.018 1007 A CA 1.266 53.431 52.037 0.215 0.000 0.766 1007 A CB 0.056 19.196 19.000 0.233 0.000 0.928 1007 A HN 0.102 8.255 8.150 0.205 0.119 0.512 1008 T N 2.952 117.599 114.554 0.154 0.000 3.043 1008 T HA -0.215 4.391 4.350 0.258 -0.102 0.263 1008 T C 1.764 176.588 174.700 0.205 0.000 1.094 1008 T CA 1.621 63.810 62.100 0.148 0.000 1.127 1008 T CB 0.251 69.092 68.868 -0.044 0.000 0.905 1008 T HN 0.402 8.697 8.240 0.092 0.000 0.490 1009 L N 2.937 124.256 121.223 0.160 0.000 2.013 1009 L HA -0.090 4.419 4.340 0.280 0.000 0.212 1009 L C -1.466 175.601 176.870 0.329 0.000 1.073 1009 L CA 4.535 59.516 54.840 0.235 0.000 0.753 1009 L CB -1.276 40.878 42.059 0.158 0.000 0.890 1009 L HN 0.272 8.577 8.230 0.125 0.000 0.432 1010 P HA 0.221 4.749 4.420 0.179 0.000 0.269 1010 P C 0.099 177.271 177.300 -0.213 0.000 1.478 1010 P CA -0.619 62.397 63.100 -0.139 0.000 1.045 1010 P CB -1.086 30.265 31.700 -0.582 0.000 1.512 1011 Q N 1.687 121.541 119.800 0.090 0.000 2.112 1011 Q HA -0.489 3.889 4.340 0.064 0.000 0.206 1011 Q C 1.291 177.309 176.000 0.031 0.000 0.987 1011 Q CA 4.249 60.144 55.803 0.152 0.000 0.858 1011 Q CB -0.374 28.593 28.738 0.383 0.000 0.905 1011 Q HN -0.015 8.239 8.270 0.274 0.181 0.420 1012 A N -2.272 120.551 122.820 0.006 0.000 2.014 1012 A HA -0.192 4.115 4.320 -0.023 0.000 0.218 1012 A C 1.801 179.338 177.584 -0.077 0.000 1.163 1012 A CA 2.295 54.294 52.037 -0.063 0.000 0.652 1012 A CB -0.810 18.078 19.000 -0.187 0.000 0.808 1012 A HN 0.325 8.497 8.150 0.046 0.006 0.449 1013 L N -0.032 121.117 121.223 -0.124 0.000 1.994 1013 L HA -0.268 4.035 4.340 -0.061 0.000 0.208 1013 L C 2.275 179.053 176.870 -0.153 0.000 1.071 1013 L CA 2.900 57.643 54.840 -0.161 0.000 0.745 1013 L CB -0.284 41.627 42.059 -0.246 0.000 0.892 1013 L HN -0.621 7.455 8.230 -0.108 0.089 0.431 1014 Y N -4.038 116.198 120.300 -0.106 0.000 2.439 1014 Y HA -0.304 4.193 4.550 -0.087 0.000 0.292 1014 Y C 2.393 178.282 175.900 -0.018 0.000 1.130 1014 Y CA 1.991 60.008 58.100 -0.138 0.000 1.254 1014 Y CB -1.200 36.992 38.460 -0.446 0.000 1.000 1014 Y HN -0.626 7.262 8.280 -0.652 0.000 0.554 1015 Q N -4.064 115.810 119.800 0.124 0.000 2.451 1015 Q HA -0.096 4.344 4.340 0.166 0.000 0.206 1015 Q C -0.081 175.961 176.000 0.070 0.000 0.947 1015 Q CA 0.443 56.321 55.803 0.125 0.000 0.937 1015 Q CB 0.530 29.340 28.738 0.120 0.000 1.025 1015 Q HN -0.489 7.796 8.270 0.056 0.018 0.511 1016 T N 3.173 117.754 114.554 0.044 0.000 2.919 1016 T HA -0.083 4.273 4.350 0.012 0.000 0.302 1016 T C -0.371 174.349 174.700 0.035 0.000 1.031 1016 T CA 1.277 63.390 62.100 0.023 0.000 1.127 1016 T CB 0.734 69.603 68.868 0.003 0.000 0.952 1016 T HN -0.451 7.640 8.240 0.038 0.171 0.540 1017 S N 4.762 120.476 115.700 0.023 0.000 2.537 1017 S HA -0.307 4.185 4.470 0.037 0.000 0.286 1017 S C 1.315 175.930 174.600 0.025 0.000 1.299 1017 S CA 2.247 60.463 58.200 0.027 0.000 1.067 1017 S CB 0.208 63.418 63.200 0.018 0.000 0.864 1017 S HN 0.310 8.628 8.310 0.013 0.000 0.494 1018 G N 6.736 115.552 108.800 0.028 0.000 2.234 1018 G HA2 -0.276 3.695 3.960 0.020 0.000 0.260 1018 G HA3 -0.276 3.694 3.960 0.018 0.000 0.260 1018 G C 0.705 175.621 174.900 0.027 0.000 0.987 1018 G CA 1.101 46.215 45.100 0.022 0.000 0.625 1018 G HN 0.520 8.829 8.290 0.033 0.000 0.532 1019 V N 1.104 121.045 119.914 0.044 0.000 2.307 1019 V HA -0.201 4.224 4.120 0.090 -0.252 0.245 1019 V C 0.797 176.933 176.094 0.070 0.000 1.045 1019 V CA 3.283 65.633 62.300 0.084 0.000 1.024 1019 V CB 0.135 32.029 31.823 0.118 0.000 0.651 1019 V HN -0.328 7.832 8.190 0.046 0.058 0.449 1020 L N -2.768 118.421 121.223 -0.057 0.000 2.371 1020 L HA 0.065 3.998 4.340 -0.678 0.000 0.272 1020 L C -0.550 176.185 176.870 -0.225 0.000 1.124 1020 L CA -0.374 54.246 54.840 -0.367 0.000 0.816 1020 L CB -0.056 41.798 42.059 -0.341 0.000 1.129 1020 L HN -0.242 7.985 8.230 -0.004 0.000 0.448 1021 T N -1.628 112.715 114.554 -0.353 0.000 2.891 1021 T HA 0.069 4.406 4.350 -0.022 0.000 0.294 1021 T C -0.018 174.719 174.700 0.061 0.000 1.065 1021 T CA -2.195 59.853 62.100 -0.087 0.000 0.936 1021 T CB 1.027 69.880 68.868 -0.025 0.000 1.415 1021 T HN -0.157 7.607 8.240 -0.794 0.000 0.572 1022 A N -0.236 122.650 122.820 0.110 0.000 2.540 1022 A HA -0.172 4.217 4.320 0.114 0.000 0.239 1022 A C 0.898 178.615 177.584 0.222 0.000 1.061 1022 A CA 1.669 53.788 52.037 0.136 0.000 0.758 1022 A CB -0.726 18.328 19.000 0.090 0.000 0.991 1022 A HN 0.126 8.325 8.150 0.082 0.000 0.502 1023 G N 0.916 109.814 108.800 0.163 0.000 2.217 1023 G HA2 -0.267 3.719 3.960 0.044 0.000 0.246 1023 G HA3 -0.267 3.887 3.960 0.066 -0.155 0.246 1023 G C -0.611 174.348 174.900 0.098 0.000 0.990 1023 G CA 0.473 45.633 45.100 0.100 0.000 0.627 1023 G HN 0.089 8.453 8.290 0.124 0.000 0.522 1024 F N 2.237 122.189 119.950 0.003 0.000 2.424 1024 F HA 0.202 4.908 4.527 0.057 -0.145 0.356 1024 F C 0.094 175.935 175.800 0.068 0.000 1.110 1024 F CA -0.568 57.456 58.000 0.039 0.000 1.161 1024 F CB 0.176 39.176 39.000 -0.000 0.000 1.115 1024 F HN -0.788 7.752 8.300 0.505 0.063 0.507 1025 A N 5.820 128.755 122.820 0.193 0.000 2.386 1025 A HA 0.025 4.422 4.320 0.129 0.000 0.246 1025 A C -0.990 176.714 177.584 0.200 0.000 1.089 1025 A CA -0.184 51.949 52.037 0.159 0.000 0.790 1025 A CB 1.137 20.211 19.000 0.124 0.000 1.042 1025 A HN 0.254 8.470 8.150 0.109 0.000 0.497 1026 Q N 1.149 121.034 119.800 0.143 0.000 2.315 1026 Q HA -0.219 4.229 4.340 0.180 0.000 0.289 1026 Q C -0.529 175.540 176.000 0.115 0.000 1.044 1026 Q CA 0.211 56.100 55.803 0.143 0.000 0.920 1026 Q CB 0.605 29.401 28.738 0.097 0.000 1.214 1026 Q HN 0.246 8.584 8.270 0.113 0.000 0.392 1027 Y N 7.136 127.457 120.300 0.036 0.000 2.511 1027 Y HA -0.180 4.399 4.550 -0.230 -0.167 0.332 1027 Y C -0.565 175.234 175.900 -0.169 0.000 1.177 1027 Y CA 1.620 59.664 58.100 -0.093 0.000 1.422 1027 Y CB 0.872 39.366 38.460 0.057 0.000 1.271 1027 Y HN 0.177 8.664 8.280 0.345 0.000 0.550 1028 I N 6.904 126.936 120.570 -0.896 0.000 2.354 1028 I HA 0.126 4.091 4.170 -0.342 0.000 0.286 1028 I C -1.630 174.004 176.117 -0.804 0.000 1.007 1028 I CA -0.972 59.908 61.300 -0.700 0.000 1.167 1028 I CB 1.892 39.472 38.000 -0.701 0.000 1.320 1028 I HN -0.151 7.202 8.210 -1.429 0.000 0.458 1029 G N 6.799 115.402 108.800 -0.328 0.000 2.338 1029 G HA2 0.242 4.263 3.960 -0.177 0.000 0.295 1029 G HA3 0.242 4.742 3.960 0.069 -0.499 0.295 1029 G C 0.096 174.923 174.900 -0.123 0.000 1.132 1029 G CA -0.553 44.467 45.100 -0.132 0.000 0.922 1029 G HN 0.398 8.601 8.290 -0.145 0.000 0.427 1030 V N 1.673 121.515 119.914 -0.120 0.000 3.382 1030 V HA 0.316 4.402 4.120 -0.056 0.000 0.296 1030 V C -1.067 175.017 176.094 -0.016 0.000 1.529 1030 V CA -1.638 60.624 62.300 -0.063 0.000 1.048 1030 V CB 1.205 32.996 31.823 -0.053 0.000 0.878 1030 V HN 0.551 8.548 8.190 -0.134 0.113 0.442 1031 G N 0.871 109.675 108.800 0.006 0.000 2.697 1031 G HA2 -0.258 3.730 3.960 0.046 0.000 0.686 1031 G HA3 -0.258 3.723 3.960 0.035 0.000 0.686 1031 G C -0.126 174.813 174.900 0.066 0.000 1.179 1031 G CA -0.275 44.849 45.100 0.040 0.000 0.765 1031 G HN -0.386 7.845 8.290 0.010 0.065 0.649 1032 S N 2.832 118.587 115.700 0.091 0.000 2.383 1032 S HA -0.154 4.382 4.470 0.110 0.000 0.227 1032 S C 2.263 176.920 174.600 0.095 0.000 1.026 1032 S CA 3.925 62.188 58.200 0.106 0.000 0.981 1032 S CB 0.278 63.552 63.200 0.124 0.000 0.818 1032 S HN 0.319 8.686 8.310 0.096 0.000 0.472 1033 G N 0.570 109.424 108.800 0.089 0.000 2.446 1033 G HA2 -0.394 3.617 3.960 0.085 0.000 0.217 1033 G HA3 -0.394 3.613 3.960 0.079 0.000 0.217 1033 G C 0.851 175.789 174.900 0.065 0.000 1.168 1033 G CA 2.294 47.442 45.100 0.080 0.000 0.771 1033 G HN 0.066 8.411 8.290 0.092 0.000 0.551 1034 N N 2.365 121.099 118.700 0.057 0.000 2.166 1034 N HA -0.277 4.477 4.740 0.023 0.000 0.186 1034 N C 2.457 178.003 175.510 0.061 0.000 1.019 1034 N CA 2.534 55.609 53.050 0.042 0.000 0.856 1034 N CB -0.579 37.930 38.487 0.037 0.000 0.993 1034 N HN -0.050 8.364 8.380 0.057 0.000 0.426 1035 G N 0.449 109.310 108.800 0.101 0.000 2.421 1035 G HA2 -0.313 3.835 3.960 0.313 0.000 0.216 1035 G HA3 -0.313 3.724 3.960 0.128 0.000 0.216 1035 G C 1.162 176.128 174.900 0.110 0.000 1.171 1035 G CA 1.964 47.157 45.100 0.154 0.000 0.775 1035 G HN 0.220 8.480 8.290 0.087 0.082 0.543 1036 K N 2.346 122.802 120.400 0.093 0.000 2.032 1036 K HA -0.388 3.997 4.320 0.108 0.000 0.209 1036 K C 2.112 178.776 176.600 0.107 0.000 1.048 1036 K CA 3.382 59.730 56.287 0.101 0.000 0.927 1036 K CB -0.056 32.497 32.500 0.089 0.000 0.712 1036 K HN 0.106 8.409 8.250 0.089 0.000 0.441 1037 A N -1.584 121.273 122.820 0.061 0.000 1.930 1037 A HA -0.186 4.172 4.320 0.062 0.000 0.217 1037 A C 2.007 179.579 177.584 -0.020 0.000 1.175 1037 A CA 2.804 54.861 52.037 0.034 0.000 0.627 1037 A CB -0.972 18.037 19.000 0.014 0.000 0.815 1037 A HN -0.160 8.022 8.150 0.054 0.000 0.443 1038 A N -0.109 122.646 122.820 -0.108 0.000 1.873 1038 A HA -0.254 4.022 4.320 -0.334 -0.157 0.218 1038 A C 2.032 179.496 177.584 -0.200 0.000 1.193 1038 A CA 2.777 54.619 52.037 -0.326 0.000 0.629 1038 A CB -0.565 17.947 19.000 -0.812 0.000 0.826 1038 A HN 0.026 8.127 8.150 -0.082 0.000 0.447 1039 F N -0.602 119.245 119.950 -0.172 0.000 2.084 1039 F HA -0.406 4.057 4.527 -0.106 0.000 0.296 1039 F C 1.729 177.568 175.800 0.065 0.000 1.111 1039 F CA 3.590 61.546 58.000 -0.074 0.000 1.224 1039 F CB 0.558 39.526 39.000 -0.054 0.000 0.991 1039 F HN -0.455 7.928 8.300 0.137 0.000 0.471 1040 L N -3.907 117.449 121.223 0.223 0.000 2.131 1040 L HA -0.365 4.216 4.340 0.402 0.000 0.210 1040 L C 1.527 178.542 176.870 0.242 0.000 1.092 1040 L CA 2.687 57.703 54.840 0.293 0.000 0.759 1040 L CB -0.321 41.899 42.059 0.268 0.000 0.903 1040 L HN 0.118 8.503 8.230 0.258 0.000 0.435 1041 N N -4.642 114.120 118.700 0.105 0.000 2.205 1041 N HA 0.083 4.876 4.740 0.089 0.000 0.201 1041 N C -0.774 174.776 175.510 0.067 0.000 1.128 1041 N CA -0.041 53.053 53.050 0.074 0.000 0.867 1041 N CB 1.185 39.687 38.487 0.024 0.000 0.996 1041 N HN -0.397 7.995 8.380 0.052 0.019 0.503 1042 N N -0.001 118.701 118.700 0.003 0.000 2.705 1042 N HA -0.428 4.233 4.740 -0.236 -0.062 0.255 1042 N C -1.819 173.632 175.510 -0.098 0.000 1.008 1042 N CA 1.357 54.347 53.050 -0.100 0.000 0.742 1042 N CB -1.082 37.374 38.487 -0.051 0.000 0.906 1042 N HN -0.489 7.739 8.380 -0.044 0.125 0.541 1043 D N -1.414 118.898 120.400 -0.148 0.000 2.462 1043 D HA 0.224 4.824 4.640 -0.067 0.000 0.249 1043 D C -0.405 175.763 176.300 -0.221 0.000 1.117 1043 D CA -1.944 51.980 54.000 -0.127 0.000 0.900 1043 D CB 0.248 40.992 40.800 -0.095 0.000 1.039 1043 D HN -0.400 7.739 8.370 -0.198 0.112 0.516 1044 Y N 6.624 126.762 120.300 -0.270 0.000 2.497 1044 Y HA -0.316 3.914 4.550 -0.534 0.000 0.292 1044 Y C 0.448 176.245 175.900 -0.172 0.000 1.137 1044 Y CA 2.558 60.486 58.100 -0.287 0.000 1.285 1044 Y CB 0.321 38.689 38.460 -0.153 0.000 0.991 1044 Y HN 0.420 8.724 8.280 0.038 0.000 0.556 1045 T N -2.441 112.079 114.554 -0.056 0.000 3.007 1045 T HA -0.255 4.330 4.350 -0.005 -0.238 0.270 1045 T C 1.700 176.330 174.700 -0.117 0.000 1.107 1045 T CA 2.325 64.393 62.100 -0.054 0.000 1.118 1045 T CB -0.251 68.609 68.868 -0.013 0.000 0.889 1045 T HN -0.274 8.152 8.240 -0.021 -0.199 0.506 1046 K N 0.110 120.392 120.400 -0.197 0.000 2.365 1046 K HA -0.120 4.150 4.320 -0.083 0.000 0.199 1046 K C 0.811 177.368 176.600 -0.071 0.000 1.045 1046 K CA 1.210 57.405 56.287 -0.153 0.000 0.962 1046 K CB -0.627 31.764 32.500 -0.181 0.000 0.759 1046 K HN -0.408 7.661 8.250 -0.258 0.026 0.469 1047 F N -3.023 116.696 119.950 -0.386 0.000 2.188 1047 F HA -0.009 4.284 4.527 -0.389 0.000 0.289 1047 F C 0.986 176.541 175.800 -0.408 0.000 1.082 1047 F CA 0.401 58.099 58.000 -0.503 0.000 1.282 1047 F CB 1.017 39.515 39.000 -0.836 0.000 1.060 1047 F HN -0.525 7.368 8.300 -0.439 0.144 0.493 1048 Q N -2.629 117.032 119.800 -0.231 0.000 2.337 1048 Q HA 0.224 4.530 4.340 -0.056 0.000 0.264 1048 Q C -1.695 174.296 176.000 -0.015 0.000 1.007 1048 Q CA -1.756 54.000 55.803 -0.078 0.000 0.727 1048 Q CB 2.232 30.992 28.738 0.037 0.000 1.256 1048 Q HN -0.095 7.941 8.270 -0.391 0.000 0.467 1049 A N 5.203 128.016 122.820 -0.011 0.000 2.540 1049 A HA -0.229 4.204 4.320 -0.005 -0.116 0.239 1049 A C 1.191 178.792 177.584 0.028 0.000 1.061 1049 A CA 1.538 53.577 52.037 0.003 0.000 0.758 1049 A CB -0.183 18.816 19.000 -0.001 0.000 0.991 1049 A HN 0.628 8.766 8.150 -0.019 0.000 0.502 1050 G N 2.663 111.482 108.800 0.032 0.000 2.179 1050 G HA2 -0.318 3.659 3.960 0.028 0.000 0.260 1050 G HA3 -0.318 3.662 3.960 0.033 0.000 0.260 1050 G C -0.885 174.051 174.900 0.060 0.000 0.977 1050 G CA 0.118 45.241 45.100 0.038 0.000 0.641 1050 G HN 0.184 8.488 8.290 0.023 0.000 0.533 1051 V N 2.973 122.950 119.914 0.105 0.000 2.378 1051 V HA 0.186 4.356 4.120 0.084 0.000 0.288 1051 V C -1.034 175.161 176.094 0.167 0.000 1.016 1051 V CA -0.923 61.465 62.300 0.148 0.000 0.840 1051 V CB 0.931 32.908 31.823 0.257 0.000 0.994 1051 V HN -0.443 7.767 8.190 0.114 0.048 0.431 1052 T N 1.991 116.581 114.554 0.059 0.000 3.043 1052 T HA 0.134 4.525 4.350 0.068 0.000 0.272 1052 T C 0.096 174.768 174.700 -0.047 0.000 0.990 1052 T CA 0.106 62.221 62.100 0.024 0.000 0.897 1052 T CB 0.783 69.659 68.868 0.014 0.000 1.111 1052 T HN 0.411 8.668 8.240 0.028 0.000 0.529 1053 N N 0.097 118.740 118.700 -0.096 0.000 2.295 1053 N HA -0.045 4.642 4.740 -0.088 0.000 0.221 1053 N C -1.500 173.885 175.510 -0.208 0.000 1.129 1053 N CA -0.119 52.858 53.050 -0.121 0.000 0.836 1053 N CB -0.598 37.838 38.487 -0.085 0.000 1.040 1053 N HN 0.065 8.391 8.380 -0.090 0.000 0.494 1054 K N -1.320 118.873 120.400 -0.345 0.000 2.443 1054 K HA 0.091 4.245 4.320 -0.277 0.000 0.251 1054 K C -2.146 174.268 176.600 -0.309 0.000 0.972 1054 K CA -1.092 54.923 56.287 -0.453 0.000 0.833 1054 K CB 3.040 34.946 32.500 -0.990 0.000 1.317 1054 K HN -0.689 7.285 8.250 -0.334 0.076 0.441 1055 N N -0.796 117.767 118.700 -0.228 0.000 2.472 1055 N HA 0.127 4.803 4.740 -0.213 -0.064 0.289 1055 N C -0.545 174.770 175.510 -0.325 0.000 1.156 1055 N CA -0.770 52.114 53.050 -0.275 0.000 0.940 1055 N CB 1.821 40.100 38.487 -0.348 0.000 1.200 1055 N HN 0.021 8.303 8.380 -0.163 0.000 0.511 1056 V N -0.141 119.549 119.914 -0.374 0.000 2.407 1056 V HA -0.076 4.030 4.120 -0.024 0.000 0.278 1056 V C -1.019 174.826 176.094 -0.415 0.000 1.037 1056 V CA -0.174 61.956 62.300 -0.283 0.000 0.900 1056 V CB 0.873 32.483 31.823 -0.356 0.000 0.983 1056 V HN 0.748 9.129 8.190 -0.372 -0.414 0.459 1057 H N 4.710 123.883 119.070 0.171 0.000 2.681 1057 H HA 0.216 4.979 4.556 0.345 0.000 0.268 1057 H C -0.566 175.052 175.328 0.484 0.000 0.967 1057 H CA 1.785 58.025 56.048 0.321 0.000 1.233 1057 H CB 2.636 32.519 29.762 0.202 0.000 1.445 1057 H HN 0.815 9.217 8.280 0.204 0.000 0.494 1058 W N -4.993 116.402 121.300 0.159 0.000 3.059 1058 W HA 0.841 5.622 4.660 -0.249 -0.271 0.329 1058 W C -3.223 173.283 176.519 -0.022 0.000 1.246 1058 W CA -1.834 55.352 57.345 -0.264 0.000 1.190 1058 W CB 2.436 31.125 29.460 -1.286 0.000 1.423 1058 W HN -0.507 7.809 8.180 0.227 0.000 0.571 1059 A N -2.341 120.427 122.820 -0.085 0.000 2.498 1059 A HA 0.961 5.224 4.320 -0.391 -0.178 0.298 1059 A C -1.980 175.641 177.584 0.061 0.000 1.075 1059 A CA -1.320 50.636 52.037 -0.135 0.000 0.714 1059 A CB 3.762 22.774 19.000 0.021 0.000 1.299 1059 A HN 0.795 8.790 8.150 -0.088 0.103 0.407 1060 G N -0.813 108.026 108.800 0.066 0.000 2.356 1060 G HA2 0.452 4.792 3.960 0.338 0.000 0.298 1060 G HA3 0.452 4.671 3.960 0.432 0.000 0.298 1060 G C -1.992 173.043 174.900 0.224 0.000 1.145 1060 G CA -1.121 44.153 45.100 0.290 0.000 0.850 1060 G HN 0.181 8.314 8.290 -0.077 0.111 0.487 1061 S N 3.108 118.935 115.700 0.211 0.000 2.566 1061 S HA 0.499 5.068 4.470 0.166 0.000 0.273 1061 S C -1.540 173.164 174.600 0.174 0.000 1.157 1061 S CA -1.169 57.132 58.200 0.169 0.000 0.938 1061 S CB 2.045 65.322 63.200 0.128 0.000 1.087 1061 S HN 0.209 8.658 8.310 0.233 0.000 0.474 1062 D N 4.667 125.165 120.400 0.163 0.000 2.363 1062 D HA 0.175 4.921 4.640 0.177 0.000 0.214 1062 D C -0.730 175.671 176.300 0.168 0.000 1.093 1062 D CA -0.137 53.962 54.000 0.165 0.000 0.837 1062 D CB 0.652 41.542 40.800 0.150 0.000 0.948 1062 D HN 0.309 8.774 8.370 0.157 0.000 0.507 1063 S N -0.926 114.866 115.700 0.154 0.000 2.429 1063 S HA 0.107 4.918 4.470 0.154 -0.248 0.302 1063 S C -0.300 174.380 174.600 0.134 0.000 1.115 1063 S CA -1.357 56.930 58.200 0.145 0.000 1.095 1063 S CB 1.388 64.667 63.200 0.133 0.000 0.987 1063 S HN -0.697 7.649 8.310 0.146 0.052 0.474 1064 K N 8.975 129.457 120.400 0.137 0.000 2.414 1064 K HA -0.047 4.472 4.320 0.130 -0.122 0.272 1064 K C -0.253 176.410 176.600 0.106 0.000 0.993 1064 K CA 0.680 57.043 56.287 0.126 0.000 0.964 1064 K CB 0.863 33.440 32.500 0.128 0.000 0.925 1064 K HN 0.568 9.280 8.250 0.144 -0.375 0.487 1065 L N 3.732 125.012 121.223 0.094 0.000 2.456 1065 L HA 0.084 4.804 4.340 0.082 -0.331 0.272 1065 L C 0.270 177.193 176.870 0.088 0.000 1.189 1065 L CA 0.509 55.398 54.840 0.083 0.000 0.846 1065 L CB -0.848 41.251 42.059 0.067 0.000 1.111 1065 L HN 0.106 8.752 8.230 0.093 -0.360 0.475 1066 S N 2.381 118.132 115.700 0.085 0.000 2.681 1066 S HA 0.112 4.630 4.470 0.081 0.000 0.270 1066 S C 0.991 175.638 174.600 0.079 0.000 1.209 1066 S CA -1.130 57.118 58.200 0.080 0.000 0.988 1066 S CB 2.415 65.660 63.200 0.075 0.000 1.006 1066 S HN 0.492 9.553 8.310 0.085 -0.700 0.558 1067 A N 0.754 123.616 122.820 0.071 0.000 1.908 1067 A HA -0.280 4.084 4.320 0.074 0.000 0.218 1067 A C 2.378 180.004 177.584 0.070 0.000 1.181 1067 A CA 3.744 55.822 52.037 0.068 0.000 0.627 1067 A CB -0.514 18.520 19.000 0.057 0.000 0.818 1067 A HN 0.627 8.817 8.150 0.066 0.000 0.445 1068 T N 0.921 115.515 114.554 0.065 0.000 2.857 1068 T HA -0.347 4.038 4.350 0.058 0.000 0.266 1068 T C 2.423 177.171 174.700 0.080 0.000 1.048 1068 T CA 4.548 66.686 62.100 0.064 0.000 1.139 1068 T CB -0.100 68.801 68.868 0.054 0.000 0.874 1068 T HN -0.422 7.855 8.240 0.062 0.000 0.455 1069 E N 2.444 122.698 120.200 0.089 0.000 2.077 1069 E HA -0.326 4.094 4.350 0.116 0.000 0.193 1069 E C 2.407 179.092 176.600 0.140 0.000 0.989 1069 E CA 3.337 59.804 56.400 0.111 0.000 0.800 1069 E CB -0.154 29.606 29.700 0.101 0.000 0.746 1069 E HN -0.337 8.072 8.360 0.082 0.000 0.452 1070 L N -1.298 119.998 121.223 0.122 0.000 2.027 1070 L HA -0.344 4.092 4.340 0.159 0.000 0.206 1070 L C 2.157 179.120 176.870 0.154 0.000 1.074 1070 L CA 3.179 58.104 54.840 0.141 0.000 0.745 1070 L CB -0.165 41.962 42.059 0.114 0.000 0.898 1070 L HN 0.227 8.519 8.230 0.103 0.000 0.433 1071 S N -1.025 114.742 115.700 0.112 0.000 2.368 1071 S HA -0.347 4.176 4.470 0.087 0.000 0.225 1071 S C 2.049 176.698 174.600 0.082 0.000 1.030 1071 S CA 3.568 61.820 58.200 0.087 0.000 0.999 1071 S CB -0.436 62.801 63.200 0.062 0.000 0.844 1071 S HN 0.197 8.565 8.310 0.097 0.000 0.459 1072 T N 5.617 120.225 114.554 0.090 0.000 2.777 1072 T HA -0.322 4.043 4.350 0.025 0.000 0.266 1072 T C 1.665 176.407 174.700 0.070 0.000 1.040 1072 T CA 5.105 67.243 62.100 0.064 0.000 1.141 1072 T CB 0.086 68.994 68.868 0.065 0.000 0.868 1072 T HN -0.134 8.165 8.240 0.099 0.000 0.444 1073 Y N 2.512 122.828 120.300 0.026 0.000 2.181 1073 Y HA -0.435 4.107 4.550 -0.015 0.000 0.288 1073 Y C 1.407 177.311 175.900 0.007 0.000 1.146 1073 Y CA 3.832 61.949 58.100 0.028 0.000 1.164 1073 Y CB -0.116 38.410 38.460 0.111 0.000 0.982 1073 Y HN -0.230 8.223 8.280 0.290 0.000 0.515 1074 A N -1.609 121.314 122.820 0.171 0.000 1.908 1074 A HA -0.311 4.207 4.320 0.116 -0.128 0.218 1074 A C 1.580 179.146 177.584 -0.030 0.000 1.181 1074 A CA 2.582 54.672 52.037 0.088 0.000 0.627 1074 A CB -0.724 18.342 19.000 0.111 0.000 0.818 1074 A HN 0.162 8.444 8.150 0.221 0.000 0.445 1075 S N -0.705 114.970 115.700 -0.042 0.000 2.357 1075 S HA -0.140 4.294 4.470 -0.060 0.000 0.221 1075 S C 1.751 176.259 174.600 -0.153 0.000 1.031 1075 S CA 2.770 60.924 58.200 -0.076 0.000 0.982 1075 S CB 0.329 63.499 63.200 -0.050 0.000 0.853 1075 S HN -0.295 8.010 8.310 -0.008 0.000 0.458 1076 A N -0.794 121.899 122.820 -0.212 0.000 1.943 1076 A HA 0.031 4.206 4.320 -0.242 0.000 0.213 1076 A C 0.779 178.058 177.584 -0.509 0.000 1.181 1076 A CA 1.909 53.765 52.037 -0.302 0.000 0.653 1076 A CB 0.566 19.402 19.000 -0.273 0.000 0.833 1076 A HN -0.062 7.977 8.150 -0.185 0.000 0.451 1077 K N -5.038 114.948 120.400 -0.689 0.000 2.344 1077 K HA 0.252 3.850 4.320 -1.203 0.000 0.200 1077 K C 1.914 178.100 176.600 -0.690 0.000 1.132 1077 K CA 0.282 55.935 56.287 -1.055 0.000 0.935 1077 K CB 1.262 32.812 32.500 -1.583 0.000 1.089 1077 K HN -0.305 7.468 8.250 -0.616 0.107 0.496 1078 Q N 1.583 121.111 119.800 -0.453 0.000 2.152 1078 Q HA -0.122 4.447 4.340 0.007 -0.225 0.206 1078 Q C -0.524 175.423 176.000 -0.089 0.000 0.985 1078 Q CA 4.613 60.346 55.803 -0.116 0.000 0.863 1078 Q CB -1.580 27.171 28.738 0.023 0.000 0.904 1078 Q HN -0.112 7.880 8.270 -0.464 0.000 0.422 1079 P HA -0.147 4.249 4.420 -0.039 0.000 0.218 1079 P C 0.619 177.878 177.300 -0.067 0.000 1.148 1079 P CA 2.137 65.185 63.100 -0.087 0.000 0.822 1079 P CB -0.233 31.401 31.700 -0.109 0.000 0.784 1080 T N -8.373 106.104 114.554 -0.129 0.000 3.015 1080 T HA 0.170 4.532 4.350 0.020 0.000 0.250 1080 T C 0.785 175.616 174.700 0.219 0.000 1.057 1080 T CA 1.355 63.442 62.100 -0.022 0.000 1.066 1080 T CB 1.012 69.814 68.868 -0.111 0.000 0.959 1080 T HN -0.505 7.563 8.240 -0.269 0.010 0.488 1081 W N 0.512 121.756 121.300 -0.095 0.000 2.975 1081 W HA 0.218 4.933 4.660 -0.080 -0.103 0.316 1081 W C 0.320 176.817 176.519 -0.037 0.000 1.131 1081 W CA -1.599 55.695 57.345 -0.086 0.000 1.624 1081 W CB 0.897 30.281 29.460 -0.127 0.000 1.038 1081 W HN 0.287 8.478 8.180 0.018 0.000 0.571 1082 G N -1.415 107.504 108.800 0.199 0.000 2.707 1082 G HA2 -0.404 3.628 3.960 0.121 0.000 0.686 1082 G HA3 -0.404 3.637 3.960 0.135 0.000 0.686 1082 G C -1.265 173.780 174.900 0.242 0.000 1.315 1082 G CA -0.806 44.392 45.100 0.163 0.000 0.832 1082 G HN -0.309 7.968 8.290 0.137 0.095 0.573 1083 K N -0.166 120.355 120.400 0.203 0.000 2.485 1083 K HA -0.199 4.293 4.320 0.287 0.000 0.277 1083 K C 0.058 176.820 176.600 0.269 0.000 0.990 1083 K CA 0.483 56.914 56.287 0.241 0.000 0.994 1083 K CB 0.871 33.477 32.500 0.175 0.000 0.906 1083 K HN 0.223 8.565 8.250 0.153 0.000 0.488 1084 L N 2.211 123.599 121.223 0.275 0.000 2.426 1084 L HA 0.181 4.772 4.340 0.170 -0.149 0.271 1084 L C -0.140 176.738 176.870 0.014 0.000 1.169 1084 L CA 0.279 55.186 54.840 0.112 0.000 0.836 1084 L CB 1.027 43.037 42.059 -0.081 0.000 1.112 1084 L HN 0.158 8.586 8.230 0.330 0.000 0.465 1085 I N 4.417 124.932 120.570 -0.092 0.000 2.378 1085 I HA 0.220 4.194 4.170 -0.327 0.000 0.291 1085 I C -1.806 174.168 176.117 -0.238 0.000 0.992 1085 I CA -0.762 60.359 61.300 -0.298 0.000 1.154 1085 I CB 2.572 40.252 38.000 -0.532 0.000 1.315 1085 I HN 0.804 8.872 8.210 -0.057 0.108 0.448 1086 Q N 8.515 128.174 119.800 -0.234 0.000 2.310 1086 Q HA 0.793 5.539 4.340 -0.043 -0.433 0.270 1086 Q C -1.945 174.022 176.000 -0.056 0.000 1.025 1086 Q CA -1.541 54.217 55.803 -0.075 0.000 0.772 1086 Q CB 2.918 31.669 28.738 0.021 0.000 1.253 1086 Q HN 0.338 8.441 8.270 -0.279 0.000 0.450 1087 V N 4.223 124.152 119.914 0.025 0.000 2.888 1087 V HA 0.606 4.883 4.120 0.262 0.000 0.309 1087 V C -3.192 173.027 176.094 0.209 0.000 1.114 1087 V CA -4.412 57.952 62.300 0.106 0.000 0.940 1087 V CB 4.286 36.035 31.823 -0.122 0.000 1.021 1087 V HN 0.752 8.991 8.190 0.082 0.000 0.426 1088 P HA 0.306 5.141 4.420 0.189 -0.302 0.269 1088 P C -0.486 176.984 177.300 0.282 0.000 1.209 1088 P CA -0.186 63.002 63.100 0.147 0.000 0.776 1088 P CB 0.732 32.295 31.700 -0.229 0.000 0.876 1089 S N 1.410 117.284 115.700 0.290 0.000 2.438 1089 S HA 0.238 4.946 4.470 0.397 0.000 0.220 1089 S C -0.274 174.432 174.600 0.177 0.000 1.045 1089 S CA 1.383 59.781 58.200 0.329 0.000 0.940 1089 S CB 1.539 64.978 63.200 0.398 0.000 0.863 1089 S HN 0.674 9.030 8.310 0.267 0.115 0.539 1090 V N -8.221 111.773 119.914 0.134 0.000 3.188 1090 V HA 0.536 4.685 4.120 0.048 0.000 0.305 1090 V C -1.966 174.166 176.094 0.064 0.000 1.232 1090 V CA -2.764 59.562 62.300 0.044 0.000 1.043 1090 V CB 3.488 35.266 31.823 -0.076 0.000 1.068 1090 V HN -0.839 7.444 8.190 0.155 0.000 0.439 1091 G N -1.350 107.425 108.800 -0.041 0.000 2.476 1091 G HA2 0.618 4.345 3.960 -0.607 0.000 0.286 1091 G HA3 0.618 4.343 3.960 -0.391 0.000 0.286 1091 G C -2.607 172.224 174.900 -0.114 0.000 1.177 1091 G CA -1.611 43.306 45.100 -0.306 0.000 0.870 1091 G HN 0.409 8.696 8.290 -0.004 0.000 0.528 1092 T N 1.323 115.799 114.554 -0.131 0.000 2.982 1092 T HA 0.385 4.841 4.350 0.176 0.000 0.321 1092 T C -1.389 173.308 174.700 -0.005 0.000 1.229 1092 T CA -1.784 60.353 62.100 0.062 0.000 1.044 1092 T CB 1.746 70.701 68.868 0.144 0.000 1.184 1092 T HN 0.584 8.660 8.240 -0.273 0.000 0.477 1093 S N 6.287 121.994 115.700 0.011 0.000 2.634 1093 S HA 0.385 5.011 4.470 0.024 -0.142 0.261 1093 S C -1.008 173.616 174.600 0.040 0.000 1.271 1093 S CA -0.254 57.946 58.200 0.000 0.000 0.985 1093 S CB 1.055 64.175 63.200 -0.134 0.000 0.968 1093 S HN 0.496 8.815 8.310 0.014 0.000 0.568 1094 V N -0.224 119.738 119.914 0.081 0.000 2.407 1094 V HA 0.230 4.380 4.120 0.050 0.000 0.291 1094 V C -1.067 175.059 176.094 0.052 0.000 1.018 1094 V CA -1.626 60.712 62.300 0.062 0.000 0.842 1094 V CB 0.765 32.634 31.823 0.077 0.000 0.996 1094 V HN -0.161 8.134 8.190 0.174 0.000 0.426 1095 A N 7.822 130.623 122.820 -0.032 0.000 2.271 1095 A HA 0.410 4.700 4.320 -0.049 0.000 0.288 1095 A C -1.824 175.751 177.584 -0.014 0.000 1.094 1095 A CA -1.893 50.114 52.037 -0.050 0.000 0.828 1095 A CB 2.868 21.807 19.000 -0.101 0.000 1.091 1095 A HN 0.858 8.987 8.150 -0.035 0.000 0.493 1096 I N -1.716 118.892 120.570 0.063 0.000 2.778 1096 I HA 0.720 5.142 4.170 0.065 -0.213 0.285 1096 I C -1.880 174.364 176.117 0.210 0.000 1.236 1096 I CA -4.737 56.643 61.300 0.133 0.000 1.089 1096 I CB -0.729 37.398 38.000 0.212 0.000 1.601 1096 I HN 0.537 8.796 8.210 0.082 0.000 0.573 1097 P HA 0.721 5.495 4.420 -0.019 -0.366 0.277 1097 P C -1.250 176.170 177.300 0.199 0.000 1.240 1097 P CA -0.978 62.153 63.100 0.052 0.000 0.798 1097 P CB 0.905 32.579 31.700 -0.044 0.000 0.979 1098 F N -4.901 115.105 119.950 0.093 0.000 2.645 1098 F HA 0.484 5.190 4.527 0.143 -0.094 0.310 1098 F C -2.934 172.908 175.800 0.070 0.000 1.102 1098 F CA -1.737 56.355 58.000 0.152 0.000 0.952 1098 F CB 3.220 42.438 39.000 0.363 0.000 1.326 1098 F HN 0.596 8.581 8.300 -0.525 0.000 0.456 1099 N N 1.575 120.405 118.700 0.217 0.000 2.706 1099 N HA 0.185 4.875 4.740 -0.084 0.000 0.240 1099 N C -1.819 173.737 175.510 0.076 0.000 1.039 1099 N CA -1.057 52.025 53.050 0.054 0.000 0.888 1099 N CB 1.380 39.889 38.487 0.036 0.000 1.128 1099 N HN 0.549 9.150 8.380 0.369 0.000 0.512 1100 K N 4.735 125.141 120.400 0.010 0.000 2.670 1100 K HA 0.302 4.479 4.320 -0.240 0.000 0.274 1100 K C -1.437 175.065 176.600 -0.164 0.000 1.068 1100 K CA -0.273 55.867 56.287 -0.245 0.000 0.967 1100 K CB 1.726 33.656 32.500 -0.951 0.000 1.297 1100 K HN -0.119 8.136 8.250 0.009 0.000 0.477 1101 S N 6.759 122.371 115.700 -0.146 0.000 2.584 1101 S HA -0.073 4.349 4.470 -0.079 0.000 0.270 1101 S C -0.044 174.498 174.600 -0.095 0.000 1.346 1101 S CA 1.552 59.692 58.200 -0.099 0.000 1.018 1101 S CB 0.589 63.739 63.200 -0.084 0.000 0.899 1101 S HN 0.375 8.597 8.310 -0.146 0.000 0.542 1102 G N -1.152 107.615 108.800 -0.054 0.000 2.301 1102 G HA2 0.002 3.937 3.960 -0.041 0.000 0.290 1102 G HA3 0.002 3.931 3.960 -0.051 0.000 0.290 1102 G C -0.809 174.084 174.900 -0.011 0.000 1.669 1102 G CA -0.574 44.502 45.100 -0.040 0.000 0.945 1102 G HN -0.458 7.805 8.290 -0.046 0.000 0.710 1103 S N 1.445 117.139 115.700 -0.010 0.000 2.428 1103 S HA -0.207 4.262 4.470 -0.001 0.000 0.230 1103 S C 0.239 174.848 174.600 0.015 0.000 1.014 1103 S CA 0.939 59.139 58.200 0.000 0.000 0.957 1103 S CB 0.308 63.505 63.200 -0.005 0.000 0.784 1103 S HN 0.388 8.689 8.310 -0.015 0.000 0.499 1104 A N 1.917 124.746 122.820 0.017 0.000 2.546 1104 A HA 0.104 4.439 4.320 0.026 0.000 0.243 1104 A C -0.454 177.163 177.584 0.055 0.000 1.063 1104 A CA 0.188 52.242 52.037 0.029 0.000 0.757 1104 A CB 0.715 19.728 19.000 0.023 0.000 0.991 1104 A HN -0.579 7.574 8.150 0.006 0.000 0.503 1105 A N 4.375 127.230 122.820 0.059 0.000 2.409 1105 A HA -0.007 4.500 4.320 0.112 -0.120 0.267 1105 A C -0.665 176.979 177.584 0.098 0.000 1.127 1105 A CA -0.554 51.535 52.037 0.086 0.000 0.795 1105 A CB 0.286 19.325 19.000 0.066 0.000 1.061 1105 A HN 0.269 8.447 8.150 0.045 0.000 0.502 1106 V N 4.589 124.594 119.914 0.151 0.000 2.461 1106 V HA -0.092 4.072 4.120 0.074 0.000 0.275 1106 V C -1.361 174.802 176.094 0.116 0.000 1.047 1106 V CA 0.338 62.707 62.300 0.114 0.000 0.955 1106 V CB 1.009 32.858 31.823 0.043 0.000 0.988 1106 V HN 0.354 8.555 8.190 0.225 0.124 0.471 1107 N N 7.872 126.618 118.700 0.077 0.000 2.519 1107 N HA 0.268 5.346 4.740 0.096 -0.281 0.286 1107 N C -2.023 173.518 175.510 0.052 0.000 1.079 1107 N CA -0.980 52.114 53.050 0.074 0.000 0.878 1107 N CB 2.246 40.770 38.487 0.062 0.000 1.375 1107 N HN 0.207 8.622 8.380 0.058 0.000 0.514 1108 L N 5.233 126.492 121.223 0.060 0.000 2.275 1108 L HA 0.486 5.006 4.340 0.023 -0.166 0.288 1108 L C -0.142 176.751 176.870 0.038 0.000 1.046 1108 L CA -0.968 53.898 54.840 0.042 0.000 0.805 1108 L CB 1.246 43.342 42.059 0.061 0.000 1.193 1108 L HN 1.006 9.063 8.230 0.083 0.223 0.426 1109 S N 2.957 118.674 115.700 0.028 0.000 2.593 1109 S HA 0.168 4.960 4.470 0.025 -0.306 0.269 1109 S C 1.358 175.981 174.600 0.037 0.000 1.334 1109 S CA -0.875 57.341 58.200 0.026 0.000 1.015 1109 S CB 1.549 64.760 63.200 0.019 0.000 0.912 1109 S HN 0.302 8.948 8.310 0.020 -0.324 0.541 1110 V N 2.215 122.153 119.914 0.040 0.000 2.332 1110 V HA -0.408 3.777 4.120 0.109 0.000 0.248 1110 V C 1.833 177.949 176.094 0.037 0.000 1.055 1110 V CA 4.121 66.459 62.300 0.063 0.000 1.038 1110 V CB -0.810 31.045 31.823 0.054 0.000 0.651 1110 V HN 0.777 8.986 8.190 0.032 0.000 0.450 1111 Q N -2.134 117.676 119.800 0.017 0.000 2.167 1111 Q HA -0.323 4.023 4.340 0.009 0.000 0.202 1111 Q C 2.838 178.850 176.000 0.020 0.000 0.970 1111 Q CA 3.001 58.812 55.803 0.013 0.000 0.855 1111 Q CB -1.108 27.634 28.738 0.006 0.000 0.911 1111 Q HN 0.284 8.563 8.270 0.014 0.000 0.438 1112 E N 1.184 121.395 120.200 0.017 0.000 2.106 1112 E HA -0.313 4.029 4.350 -0.013 0.000 0.192 1112 E C 2.379 178.998 176.600 0.031 0.000 0.984 1112 E CA 3.192 59.593 56.400 0.003 0.000 0.806 1112 E CB -0.187 29.505 29.700 -0.012 0.000 0.750 1112 E HN -0.044 8.244 8.360 0.018 0.082 0.458 1113 L N -0.176 121.097 121.223 0.082 0.000 2.046 1113 L HA -0.408 4.061 4.340 0.216 0.000 0.208 1113 L C 1.803 178.810 176.870 0.228 0.000 1.077 1113 L CA 3.295 58.247 54.840 0.188 0.000 0.747 1113 L CB -0.081 42.097 42.059 0.199 0.000 0.896 1113 L HN 0.028 8.220 8.230 0.071 0.082 0.432 1114 c N -2.280 116.385 118.600 0.109 0.000 2.413 1114 c HA -0.306 4.291 4.570 0.045 0.000 0.276 1114 c C 2.828 176.995 174.090 0.127 0.000 1.236 1114 c CA 3.898 60.285 56.329 0.097 0.000 1.735 1114 c CB -1.675 40.874 42.510 0.065 0.000 2.031 1114 c HN 0.256 8.529 8.230 0.072 0.000 0.474 1115 G N -1.081 107.751 108.800 0.054 0.000 2.408 1115 G HA2 -0.263 3.828 3.960 -0.026 0.000 0.217 1115 G HA3 -0.263 3.681 3.960 -0.027 0.000 0.217 1115 G C 1.670 176.538 174.900 -0.054 0.000 1.150 1115 G CA 1.806 46.900 45.100 -0.011 0.000 0.776 1115 G HN -0.137 8.098 8.290 0.042 0.080 0.542 1116 V N 4.164 124.038 119.914 -0.067 0.000 2.295 1116 V HA -0.312 3.877 4.120 -0.268 -0.231 0.246 1116 V C 2.674 178.606 176.094 -0.271 0.000 1.049 1116 V CA 3.618 65.775 62.300 -0.238 0.000 1.024 1116 V CB 0.212 31.831 31.823 -0.341 0.000 0.648 1116 V HN 0.044 8.226 8.190 -0.013 0.000 0.447 1117 F N -2.737 117.263 119.950 0.085 0.000 2.661 1117 F HA -0.184 4.499 4.527 0.259 0.000 0.298 1117 F C 0.441 176.379 175.800 0.231 0.000 1.137 1117 F CA 2.757 60.901 58.000 0.240 0.000 1.454 1117 F CB -0.047 39.138 39.000 0.309 0.000 1.103 1117 F HN -0.220 8.280 8.300 0.334 0.000 0.577 1118 S N -4.716 111.035 115.700 0.085 0.000 2.524 1118 S HA -0.032 3.880 4.470 -0.931 0.000 0.216 1118 S C 0.849 175.244 174.600 -0.342 0.000 0.987 1118 S CA 0.640 58.511 58.200 -0.549 0.000 0.909 1118 S CB 1.170 63.843 63.200 -0.878 0.000 0.781 1118 S HN -0.479 7.760 8.310 0.083 0.121 0.521 1119 G N 1.881 110.588 108.800 -0.156 0.000 2.176 1119 G HA2 -0.312 3.585 3.960 -0.106 0.000 0.253 1119 G HA3 -0.312 3.602 3.960 -0.076 0.000 0.253 1119 G C -0.049 174.795 174.900 -0.094 0.000 0.979 1119 G CA 0.674 45.710 45.100 -0.106 0.000 0.641 1119 G HN -0.579 7.481 8.290 -0.122 0.157 0.530 1120 R N 0.235 120.674 120.500 -0.101 0.000 2.081 1120 R HA -0.210 4.103 4.340 -0.046 0.000 0.235 1120 R C 0.456 176.714 176.300 -0.069 0.000 1.131 1120 R CA 2.049 58.110 56.100 -0.066 0.000 0.960 1120 R CB 0.584 30.852 30.300 -0.053 0.000 0.856 1120 R HN -0.412 7.722 8.270 -0.135 0.056 0.436 1121 I N -0.831 119.681 120.570 -0.097 0.000 2.328 1121 I HA 0.092 4.206 4.170 -0.094 0.000 0.287 1121 I C -1.687 174.329 176.117 -0.169 0.000 1.012 1121 I CA -0.537 60.691 61.300 -0.121 0.000 1.195 1121 I CB 0.743 38.664 38.000 -0.132 0.000 1.350 1121 I HN -0.180 7.840 8.210 -0.106 0.126 0.464 1122 N N 3.908 122.522 118.700 -0.143 0.000 2.241 1122 N HA 0.113 4.731 4.740 -0.202 0.000 0.238 1122 N C -1.614 173.812 175.510 -0.140 0.000 1.244 1122 N CA -0.709 52.252 53.050 -0.148 0.000 0.880 1122 N CB 1.140 39.574 38.487 -0.087 0.000 1.179 1122 N HN 0.499 8.815 8.380 -0.108 0.000 0.513 1123 T N -5.581 108.882 114.554 -0.152 0.000 2.933 1123 T HA 0.602 5.265 4.350 -0.051 -0.343 0.305 1123 T C 0.580 175.206 174.700 -0.123 0.000 1.092 1123 T CA -2.148 59.901 62.100 -0.084 0.000 1.008 1123 T CB 2.615 71.484 68.868 0.001 0.000 1.102 1123 T HN -0.666 7.479 8.240 -0.160 0.000 0.469 1124 W N 2.821 124.090 121.300 -0.051 0.000 2.364 1124 W HA -0.385 4.220 4.660 -0.092 0.000 0.281 1124 W C 0.809 177.295 176.519 -0.055 0.000 1.219 1124 W CA 4.744 62.048 57.345 -0.069 0.000 1.220 1124 W CB -0.048 29.372 29.460 -0.067 0.000 1.127 1124 W HN 1.254 9.622 8.180 0.314 0.000 0.556 1125 D N -3.693 116.800 120.400 0.155 0.000 2.378 1125 D HA -0.088 4.681 4.640 0.100 -0.070 0.227 1125 D C 1.014 177.333 176.300 0.033 0.000 1.012 1125 D CA 0.264 54.315 54.000 0.085 0.000 0.905 1125 D CB -1.674 39.165 40.800 0.065 0.000 0.895 1125 D HN 0.022 8.453 8.370 0.155 0.033 0.532 1126 G N -1.988 106.810 108.800 -0.005 0.000 3.042 1126 G HA2 0.033 3.981 3.960 -0.019 0.000 0.212 1126 G HA3 0.033 3.957 3.960 -0.060 0.000 0.212 1126 G C -0.603 174.268 174.900 -0.049 0.000 1.166 1126 G CA -0.624 44.455 45.100 -0.036 0.000 0.767 1126 G HN -0.144 7.772 8.290 -0.020 0.362 0.546 1127 I N 2.954 123.501 120.570 -0.038 0.000 2.312 1127 I HA 0.032 4.310 4.170 -0.045 -0.135 0.290 1127 I C -1.256 174.870 176.117 0.015 0.000 1.008 1127 I CA -1.016 60.266 61.300 -0.029 0.000 1.226 1127 I CB 0.323 38.291 38.000 -0.053 0.000 1.371 1127 I HN -0.494 7.391 8.210 -0.011 0.318 0.468 1128 S N 7.202 122.908 115.700 0.010 0.000 2.562 1128 S HA -0.027 4.456 4.470 0.021 0.000 0.281 1128 S C 1.001 175.618 174.600 0.029 0.000 1.333 1128 S CA 0.942 59.153 58.200 0.019 0.000 1.052 1128 S CB 1.015 64.223 63.200 0.014 0.000 0.884 1128 S HN 0.299 8.994 8.310 0.001 -0.385 0.506 1129 G N 2.328 111.146 108.800 0.031 0.000 2.168 1129 G HA2 -0.336 3.641 3.960 0.028 0.000 0.257 1129 G HA3 -0.336 3.642 3.960 0.031 0.000 0.257 1129 G C 0.065 174.990 174.900 0.041 0.000 0.997 1129 G CA 0.817 45.937 45.100 0.033 0.000 0.708 1129 G HN 0.560 8.867 8.290 0.028 0.000 0.520 1130 S N -0.799 114.934 115.700 0.055 0.000 2.461 1130 S HA -0.081 4.428 4.470 0.064 0.000 0.228 1130 S C 1.040 175.666 174.600 0.044 0.000 1.005 1130 S CA 0.860 59.104 58.200 0.073 0.000 0.942 1130 S CB 0.804 64.095 63.200 0.152 0.000 0.776 1130 S HN -0.740 7.587 8.310 0.058 0.018 0.514 1131 G N 1.468 110.289 108.800 0.035 0.000 2.166 1131 G HA2 -0.416 3.554 3.960 0.016 0.000 0.260 1131 G HA3 -0.416 3.548 3.960 0.006 0.000 0.260 1131 G C -0.731 174.168 174.900 -0.001 0.000 0.986 1131 G CA 0.528 45.636 45.100 0.014 0.000 0.683 1131 G HN 0.518 8.799 8.290 0.039 0.033 0.527 1132 R N -0.365 120.145 120.500 0.017 0.000 2.750 1132 R HA 0.379 4.682 4.340 -0.063 0.000 0.281 1132 R C -2.183 174.167 176.300 0.084 0.000 0.972 1132 R CA -1.473 54.618 56.100 -0.015 0.000 0.912 1132 R CB 3.193 33.405 30.300 -0.148 0.000 1.187 1132 R HN -0.593 7.680 8.270 0.062 0.034 0.464 1133 T N -4.199 110.392 114.554 0.062 0.000 2.864 1133 T HA 0.614 5.382 4.350 0.165 -0.319 0.299 1133 T C -1.462 173.316 174.700 0.130 0.000 1.166 1133 T CA -2.363 59.805 62.100 0.114 0.000 1.007 1133 T CB 3.046 71.951 68.868 0.063 0.000 1.219 1133 T HN -0.027 8.210 8.240 -0.005 0.000 0.506 1134 G N -1.557 107.337 108.800 0.157 0.000 2.406 1134 G HA2 -0.200 3.822 3.960 0.104 0.000 0.680 1134 G HA3 -0.200 3.846 3.960 0.143 0.000 0.680 1134 G C -3.511 171.529 174.900 0.234 0.000 1.338 1134 G CA -0.515 44.682 45.100 0.162 0.000 0.941 1134 G HN -0.400 8.142 8.290 0.135 -0.171 0.633 1135 P HA 0.100 4.710 4.420 0.071 -0.148 0.268 1135 P C -0.977 176.440 177.300 0.196 0.000 1.205 1135 P CA 0.120 63.298 63.100 0.130 0.000 0.771 1135 P CB 0.392 32.144 31.700 0.088 0.000 0.858 1136 I N 2.415 122.971 120.570 -0.024 0.000 2.365 1136 I HA 0.355 4.712 4.170 0.037 -0.164 0.291 1136 I C -0.041 176.031 176.117 -0.076 0.000 1.004 1136 I CA -0.632 60.556 61.300 -0.187 0.000 1.311 1136 I CB 1.788 39.402 38.000 -0.643 0.000 1.401 1136 I HN 0.143 8.169 8.210 -0.099 0.124 0.491 1137 V N 7.390 127.305 119.914 0.001 0.000 2.612 1137 V HA 0.232 4.344 4.120 -0.012 0.000 0.301 1137 V C -2.252 173.849 176.094 0.013 0.000 1.059 1137 V CA -1.589 60.718 62.300 0.012 0.000 0.886 1137 V CB 4.758 36.618 31.823 0.062 0.000 1.007 1137 V HN 0.517 8.753 8.190 0.078 0.000 0.426 1138 V N 8.308 128.222 119.914 -0.001 0.000 2.498 1138 V HA 0.252 4.497 4.120 -0.069 -0.166 0.279 1138 V C -0.835 175.351 176.094 0.153 0.000 1.048 1138 V CA -0.780 61.524 62.300 0.007 0.000 0.967 1138 V CB 0.740 32.545 31.823 -0.029 0.000 0.988 1138 V HN 0.415 8.614 8.190 0.013 0.000 0.473 1139 V N 7.172 127.163 119.914 0.128 0.000 2.483 1139 V HA 0.834 5.236 4.120 0.089 -0.228 0.295 1139 V C -0.147 176.011 176.094 0.106 0.000 1.035 1139 V CA -2.215 60.134 62.300 0.081 0.000 0.896 1139 V CB 0.808 32.617 31.823 -0.023 0.000 0.986 1139 V HN 0.587 8.832 8.190 0.091 0.000 0.447 1140 Y N 2.765 123.065 120.300 -0.001 0.000 2.644 1140 Y HA 0.476 4.879 4.550 -0.247 0.000 0.338 1140 Y C -2.390 173.520 175.900 0.016 0.000 1.119 1140 Y CA -2.686 55.413 58.100 -0.002 0.000 1.060 1140 Y CB 2.942 41.548 38.460 0.245 0.000 1.294 1140 Y HN 0.929 9.034 8.280 -0.291 0.000 0.472 1141 R N 0.956 121.540 120.500 0.139 0.000 2.298 1141 R HA 0.340 4.827 4.340 -0.111 -0.214 0.310 1141 R C 0.858 177.248 176.300 0.150 0.000 1.068 1141 R CA -1.248 54.887 56.100 0.057 0.000 0.957 1141 R CB -0.572 29.810 30.300 0.137 0.000 1.003 1141 R HN -0.113 8.402 8.270 0.407 0.000 0.454 1142 S N 4.005 119.692 115.700 -0.021 0.000 2.402 1142 S HA -0.279 4.272 4.470 0.136 0.000 0.229 1142 S C -0.272 174.411 174.600 0.139 0.000 1.021 1142 S CA 2.903 61.135 58.200 0.053 0.000 0.974 1142 S CB 0.418 63.599 63.200 -0.031 0.000 0.800 1142 S HN 0.719 8.855 8.310 -0.104 0.112 0.484 1143 E N -0.861 119.406 120.200 0.112 0.000 2.405 1143 E HA 0.163 4.577 4.350 0.106 0.000 0.249 1143 E C -1.573 175.110 176.600 0.138 0.000 1.028 1143 E CA -1.949 54.513 56.400 0.105 0.000 0.897 1143 E CB 1.511 31.247 29.700 0.060 0.000 1.262 1143 E HN -0.367 8.014 8.360 0.087 0.031 0.442 1144 S N -0.398 115.371 115.700 0.116 0.000 2.414 1144 S HA -0.094 4.631 4.470 0.150 -0.165 0.290 1144 S C -0.661 174.015 174.600 0.127 0.000 1.160 1144 S CA -0.199 58.077 58.200 0.126 0.000 1.069 1144 S CB -0.099 63.162 63.200 0.103 0.000 1.012 1144 S HN 0.190 8.556 8.310 0.093 0.000 0.510 1145 S N 7.544 123.340 115.700 0.161 0.000 2.502 1145 S HA 0.375 4.922 4.470 0.129 0.000 0.304 1145 S C 0.368 175.076 174.600 0.179 0.000 1.097 1145 S CA -1.678 56.620 58.200 0.163 0.000 1.045 1145 S CB 2.230 65.547 63.200 0.195 0.000 1.019 1145 S HN 0.349 8.656 8.310 0.189 0.117 0.481 1146 G N 4.761 113.657 108.800 0.160 0.000 2.421 1146 G HA2 -0.107 3.955 3.960 0.169 0.000 0.217 1146 G HA3 -0.107 4.041 3.960 0.158 -0.093 0.217 1146 G C 0.805 175.818 174.900 0.189 0.000 1.143 1146 G CA 2.227 47.428 45.100 0.168 0.000 0.784 1146 G HN 0.770 9.145 8.290 0.140 0.000 0.541 1147 T N 4.948 119.619 114.554 0.195 0.000 2.720 1147 T HA -0.508 3.965 4.350 0.204 0.000 0.268 1147 T C 1.917 176.802 174.700 0.309 0.000 1.037 1147 T CA 5.093 67.335 62.100 0.236 0.000 1.144 1147 T CB -0.271 68.724 68.868 0.212 0.000 0.864 1147 T HN -0.553 7.789 8.240 0.169 0.000 0.444 1148 T N 4.142 118.910 114.554 0.357 0.000 2.684 1148 T HA -0.464 3.977 4.350 0.150 0.000 0.267 1148 T C 1.299 176.132 174.700 0.221 0.000 1.036 1148 T CA 5.107 67.389 62.100 0.303 0.000 1.148 1148 T CB -0.232 68.869 68.868 0.388 0.000 0.863 1148 T HN -0.287 8.159 8.240 0.344 0.000 0.436 1149 E N 2.808 123.134 120.200 0.211 0.000 2.058 1149 E HA -0.287 4.328 4.350 0.166 -0.165 0.194 1149 E C 2.521 179.235 176.600 0.190 0.000 0.997 1149 E CA 3.035 59.545 56.400 0.182 0.000 0.801 1149 E CB -0.106 29.698 29.700 0.173 0.000 0.746 1149 E HN -0.587 7.827 8.360 0.214 0.075 0.450 1150 L N -1.989 119.361 121.223 0.211 0.000 2.042 1150 L HA -0.372 4.121 4.340 0.254 0.000 0.210 1150 L C 2.428 179.439 176.870 0.235 0.000 1.076 1150 L CA 3.011 57.990 54.840 0.232 0.000 0.749 1150 L CB -0.190 41.998 42.059 0.214 0.000 0.893 1150 L HN 0.055 8.411 8.230 0.210 0.000 0.432 1151 F N -0.122 119.819 119.950 -0.015 0.000 2.128 1151 F HA -0.270 4.178 4.527 -0.131 0.000 0.295 1151 F C 1.375 177.103 175.800 -0.120 0.000 1.100 1151 F CA 2.742 60.644 58.000 -0.163 0.000 1.260 1151 F CB 0.628 39.340 39.000 -0.479 0.000 1.009 1151 F HN 0.141 8.600 8.300 0.264 0.000 0.476 1152 T N -0.740 113.742 114.554 -0.120 0.000 2.995 1152 T HA -0.397 3.678 4.350 -0.458 0.000 0.269 1152 T C 2.002 176.660 174.700 -0.070 0.000 1.091 1152 T CA 3.974 65.967 62.100 -0.178 0.000 1.128 1152 T CB -0.219 68.652 68.868 0.005 0.000 0.891 1152 T HN 0.576 8.848 8.240 0.054 0.000 0.492 1153 R N 0.569 121.110 120.500 0.069 0.000 2.148 1153 R HA -0.290 4.126 4.340 0.127 0.000 0.227 1153 R C 1.099 177.512 176.300 0.188 0.000 1.103 1153 R CA 3.310 59.512 56.100 0.171 0.000 0.983 1153 R CB -0.131 30.340 30.300 0.286 0.000 0.874 1153 R HN 0.020 8.355 8.270 0.117 0.005 0.451 1154 F N 0.770 120.635 119.950 -0.142 0.000 2.128 1154 F HA -0.285 3.776 4.527 -0.777 0.000 0.295 1154 F C 1.143 176.669 175.800 -0.458 0.000 1.100 1154 F CA 3.339 61.024 58.000 -0.525 0.000 1.260 1154 F CB 0.266 38.851 39.000 -0.692 0.000 1.009 1154 F HN -0.673 7.573 8.300 0.096 0.111 0.476 1155 L N -1.740 119.168 121.223 -0.525 0.000 2.042 1155 L HA -0.508 3.436 4.340 -0.661 0.000 0.210 1155 L C 2.372 179.054 176.870 -0.312 0.000 1.076 1155 L CA 2.860 57.309 54.840 -0.651 0.000 0.749 1155 L CB -0.680 40.674 42.059 -1.175 0.000 0.893 1155 L HN -0.189 7.712 8.230 -0.548 0.000 0.432 1156 N N -0.693 117.915 118.700 -0.153 0.000 2.166 1156 N HA -0.361 4.541 4.740 0.093 -0.106 0.186 1156 N C 0.870 176.358 175.510 -0.037 0.000 1.019 1156 N CA 3.154 56.204 53.050 0.000 0.000 0.856 1156 N CB 0.444 38.957 38.487 0.042 0.000 0.993 1156 N HN 0.196 8.371 8.380 -0.164 0.107 0.426 1157 A N -1.653 121.109 122.820 -0.097 0.000 2.016 1157 A HA -0.000 4.318 4.320 -0.003 0.000 0.217 1157 A C 1.002 178.473 177.584 -0.187 0.000 1.162 1157 A CA 2.094 54.089 52.037 -0.071 0.000 0.662 1157 A CB 0.284 19.334 19.000 0.085 0.000 0.812 1157 A HN -0.439 7.521 8.150 -0.142 0.104 0.450 1158 K N -6.283 113.899 120.400 -0.363 0.000 2.435 1158 K HA 0.278 4.440 4.320 -0.264 0.000 0.199 1158 K C -0.591 175.886 176.600 -0.206 0.000 1.153 1158 K CA -0.340 55.717 56.287 -0.384 0.000 0.974 1158 K CB 1.812 33.837 32.500 -0.793 0.000 0.997 1158 K HN -0.481 7.372 8.250 -0.420 0.145 0.547 1159 c N 2.288 120.811 118.600 -0.127 0.000 2.298 1159 c HA 0.165 4.734 4.570 -0.002 0.000 0.451 1159 c C -1.242 172.900 174.090 0.086 0.000 1.028 1159 c CA -0.511 55.835 56.329 0.029 0.000 1.324 1159 c CB -2.796 39.821 42.510 0.178 0.000 1.534 1159 c HN -0.003 8.144 8.230 -0.140 0.000 0.528 1160 N N 1.678 120.395 118.700 0.029 0.000 2.251 1160 N HA -0.065 4.700 4.740 0.041 0.000 0.217 1160 N C -0.717 174.812 175.510 0.031 0.000 1.124 1160 N CA -0.789 52.278 53.050 0.027 0.000 0.843 1160 N CB -0.122 38.366 38.487 0.002 0.000 1.024 1160 N HN -0.435 7.916 8.380 -0.003 0.027 0.501 1161 A N -2.094 120.754 122.820 0.047 0.000 2.543 1161 A HA 0.208 4.545 4.320 0.029 0.000 0.279 1161 A C -0.831 176.786 177.584 0.055 0.000 0.917 1161 A CA 0.007 52.066 52.037 0.038 0.000 1.036 1161 A CB 0.583 19.597 19.000 0.023 0.000 1.227 1161 A HN 0.013 8.144 8.150 0.068 0.059 0.503 1162 E N -1.278 118.978 120.200 0.093 0.000 2.267 1162 E HA 0.239 4.640 4.350 0.085 0.000 0.258 1162 E C -0.558 176.115 176.600 0.121 0.000 1.074 1162 E CA -2.301 54.175 56.400 0.128 0.000 0.915 1162 E CB 2.295 32.126 29.700 0.219 0.000 1.186 1162 E HN -0.272 8.153 8.360 0.109 0.000 0.439 1163 T N 3.403 118.055 114.554 0.163 0.000 3.579 1163 T HA -0.027 4.338 4.350 0.025 0.000 0.328 1163 T C -1.137 173.583 174.700 0.032 0.000 1.481 1163 T CA 0.630 62.781 62.100 0.085 0.000 1.144 1163 T CB -1.080 67.825 68.868 0.062 0.000 1.205 1163 T HN 0.435 8.789 8.240 0.191 0.000 0.812 1164 G N 2.592 111.319 108.800 -0.123 0.000 2.339 1164 G HA2 -0.234 3.446 3.960 -0.466 0.000 0.381 1164 G HA3 -0.234 2.977 3.960 -1.249 0.000 0.381 1164 G C -2.437 172.220 174.900 -0.405 0.000 1.400 1164 G CA -0.639 44.122 45.100 -0.565 0.000 1.002 1164 G HN -0.589 7.644 8.290 -0.058 0.023 0.633 1165 N N -0.066 118.333 118.700 -0.500 0.000 2.319 1165 N HA 0.372 5.096 4.740 -0.026 0.000 0.305 1165 N C -1.191 174.172 175.510 -0.245 0.000 1.103 1165 N CA -1.053 51.869 53.050 -0.214 0.000 0.815 1165 N CB 2.256 40.665 38.487 -0.131 0.000 1.288 1165 N HN -0.135 nan 8.380 nan 0.000 0.493 1166 F N 0.189 120.196 119.950 0.095 0.000 2.424 1166 F HA 0.069 4.800 4.527 0.078 -0.157 0.356 1166 F C -0.286 175.496 175.800 -0.030 0.000 1.110 1166 F CA -0.283 57.749 58.000 0.053 0.000 1.161 1166 F CB 0.670 39.681 39.000 0.018 0.000 1.115 1166 F HN 0.473 8.988 8.300 0.359 0.000 0.507 1167 A N 4.403 127.288 122.820 0.108 0.000 2.316 1167 A HA 0.301 4.651 4.320 0.051 0.000 0.284 1167 A C -0.943 176.688 177.584 0.077 0.000 1.115 1167 A CA -1.216 50.857 52.037 0.059 0.000 0.812 1167 A CB 1.610 20.617 19.000 0.011 0.000 1.064 1167 A HN 0.799 8.877 8.150 0.062 0.109 0.489 1168 V N 2.341 122.296 119.914 0.070 0.000 2.485 1168 V HA -0.012 4.156 4.120 0.080 0.000 0.287 1168 V C 0.380 176.523 176.094 0.082 0.000 1.022 1168 V CA 0.969 63.317 62.300 0.080 0.000 1.067 1168 V CB -1.258 30.618 31.823 0.087 0.000 0.967 1168 V HN 0.367 8.595 8.190 0.063 0.000 0.479 1169 T N 4.758 119.371 114.554 0.100 0.000 2.769 1169 T HA 0.271 4.680 4.350 0.098 0.000 0.306 1169 T C -0.727 174.060 174.700 0.145 0.000 1.400 1169 T CA -1.948 60.217 62.100 0.108 0.000 1.007 1169 T CB 1.797 70.718 68.868 0.087 0.000 1.392 1169 T HN 0.348 8.655 8.240 0.111 0.000 0.500 1170 T N -0.174 114.469 114.554 0.148 0.000 3.060 1170 T HA 0.230 4.807 4.350 0.195 -0.110 0.249 1170 T C -0.052 174.776 174.700 0.214 0.000 1.079 1170 T CA -0.680 61.526 62.100 0.177 0.000 1.013 1170 T CB 0.534 69.492 68.868 0.149 0.000 0.975 1170 T HN 0.240 8.556 8.240 0.127 0.000 0.518 1171 T N -0.344 114.332 114.554 0.204 0.000 2.963 1171 T HA 0.456 4.981 4.350 0.291 0.000 0.343 1171 T C -0.261 174.596 174.700 0.262 0.000 1.146 1171 T CA -2.641 59.602 62.100 0.240 0.000 1.016 1171 T CB 1.667 70.638 68.868 0.173 0.000 1.046 1171 T HN -0.494 7.805 8.240 0.163 0.039 0.496 1172 F N 7.607 127.707 119.950 0.250 0.000 2.250 1172 F HA -0.270 4.361 4.527 0.174 0.000 0.301 1172 F C 1.230 177.068 175.800 0.063 0.000 1.077 1172 F CA 3.483 61.610 58.000 0.211 0.000 1.348 1172 F CB 0.232 39.457 39.000 0.374 0.000 1.040 1172 F HN 0.733 9.397 8.300 0.607 0.000 0.509 1173 G N -3.826 105.045 108.800 0.120 0.000 2.498 1173 G HA2 -0.400 3.381 3.960 -0.299 0.000 0.219 1173 G HA3 -0.400 3.625 3.960 0.108 0.000 0.219 1173 G C -0.134 174.726 174.900 -0.067 0.000 1.119 1173 G CA 1.567 46.634 45.100 -0.054 0.000 0.766 1173 G HN 0.577 9.061 8.290 0.354 0.018 0.552 1174 T N -6.259 108.267 114.554 -0.046 0.000 3.084 1174 T HA 0.134 4.443 4.350 -0.068 0.000 0.270 1174 T C 0.050 174.693 174.700 -0.095 0.000 1.008 1174 T CA -1.486 60.580 62.100 -0.056 0.000 0.900 1174 T CB 1.360 70.224 68.868 -0.007 0.000 1.084 1174 T HN -0.407 7.654 8.240 0.000 0.179 0.538 1175 S N 2.715 118.314 115.700 -0.168 0.000 2.338 1175 S HA -0.172 4.272 4.470 -0.044 0.000 0.218 1175 S C -0.081 174.474 174.600 -0.075 0.000 1.032 1175 S CA 3.182 61.314 58.200 -0.114 0.000 0.999 1175 S CB 0.710 63.794 63.200 -0.194 0.000 0.905 1175 S HN -0.230 7.658 8.310 -0.282 0.253 0.439 1176 F N 1.037 120.787 119.950 -0.334 0.000 2.438 1176 F HA 0.277 4.752 4.527 -0.666 -0.348 0.356 1176 F C 1.083 176.682 175.800 -0.336 0.000 1.099 1176 F CA -1.739 55.950 58.000 -0.518 0.000 1.185 1176 F CB 1.105 39.696 39.000 -0.682 0.000 1.115 1176 F HN -0.444 7.774 8.300 -0.137 0.000 0.526 1177 S N 8.160 123.294 115.700 -0.942 0.000 2.474 1177 S HA -0.155 4.078 4.470 -0.394 0.000 0.235 1177 S C 1.073 175.286 174.600 -0.645 0.000 0.997 1177 S CA 2.198 60.008 58.200 -0.650 0.000 0.949 1177 S CB -0.006 62.876 63.200 -0.530 0.000 0.766 1177 S HN 0.763 8.395 8.310 -1.129 0.000 0.517 1178 G N -0.521 107.661 108.800 -1.030 0.000 3.141 1178 G HA2 0.143 3.937 3.960 -0.276 0.000 0.218 1178 G HA3 0.143 3.946 3.960 -0.262 0.000 0.218 1178 G C -0.584 174.322 174.900 0.010 0.000 1.170 1178 G CA -0.803 44.069 45.100 -0.380 0.000 0.769 1178 G HN 0.048 6.904 8.290 -2.346 0.027 0.546 1179 G N 0.393 109.198 108.800 0.008 0.000 2.756 1179 G HA2 -0.285 3.668 3.960 -0.010 0.000 0.678 1179 G HA3 -0.285 3.696 3.960 0.036 0.000 0.678 1179 G C -1.189 173.785 174.900 0.123 0.000 1.349 1179 G CA -0.797 44.335 45.100 0.053 0.000 0.847 1179 G HN -0.521 7.525 8.290 -0.137 0.162 0.548 1180 L N 0.427 121.673 121.223 0.039 0.000 2.464 1180 L HA 0.068 4.432 4.340 0.040 0.000 0.264 1180 L C -1.077 175.829 176.870 0.060 0.000 1.199 1180 L CA -1.030 53.830 54.840 0.034 0.000 0.818 1180 L CB -0.207 41.845 42.059 -0.012 0.000 1.102 1180 L HN 0.234 8.472 8.230 0.013 0.000 0.473 1181 P HA -0.056 4.375 4.420 0.019 0.000 0.268 1181 P C -0.949 176.383 177.300 0.053 0.000 1.205 1181 P CA -0.201 62.922 63.100 0.037 0.000 0.771 1181 P CB 0.308 32.017 31.700 0.014 0.000 0.858 1182 A N 2.623 125.465 122.820 0.037 0.000 2.565 1182 A HA -0.254 4.098 4.320 0.053 0.000 0.237 1182 A C 1.010 178.626 177.584 0.053 0.000 1.053 1182 A CA 1.232 53.296 52.037 0.044 0.000 0.755 1182 A CB 0.137 19.155 19.000 0.030 0.000 0.980 1182 A HN 0.239 8.403 8.150 0.024 0.000 0.506 1183 G N 0.418 109.259 108.800 0.070 0.000 2.179 1183 G HA2 -0.230 3.773 3.960 0.073 0.000 0.260 1183 G HA3 -0.230 3.765 3.960 0.059 0.000 0.260 1183 G C -0.522 174.443 174.900 0.108 0.000 0.977 1183 G CA -0.041 45.104 45.100 0.075 0.000 0.641 1183 G HN 0.054 8.388 8.290 0.073 0.000 0.533 1184 A N 1.139 124.049 122.820 0.151 0.000 2.483 1184 A HA 0.037 4.608 4.320 0.195 -0.134 0.238 1184 A C -0.413 177.342 177.584 0.286 0.000 1.070 1184 A CA 0.409 52.594 52.037 0.247 0.000 0.770 1184 A CB 1.093 20.291 19.000 0.330 0.000 1.008 1184 A HN -0.461 7.727 8.150 0.138 0.045 0.497 1185 V N 2.135 122.190 119.914 0.235 0.000 2.384 1185 V HA 0.131 4.296 4.120 0.075 0.000 0.287 1185 V C -1.402 174.580 176.094 -0.187 0.000 1.020 1185 V CA -1.346 60.993 62.300 0.066 0.000 0.850 1185 V CB 1.561 33.398 31.823 0.023 0.000 0.987 1185 V HN 0.542 8.876 8.190 0.240 0.000 0.436 1186 A N 7.599 130.202 122.820 -0.363 0.000 2.327 1186 A HA 0.652 4.311 4.320 -1.404 -0.182 0.283 1186 A C -1.345 176.032 177.584 -0.345 0.000 1.127 1186 A CA -0.760 50.853 52.037 -0.706 0.000 0.810 1186 A CB 1.245 19.961 19.000 -0.473 0.000 1.066 1186 A HN 0.365 8.429 8.150 -0.142 0.000 0.492 1187 A N 3.260 125.885 122.820 -0.325 0.000 2.593 1187 A HA 0.427 4.662 4.320 -0.141 0.000 0.290 1187 A C -2.606 174.883 177.584 -0.158 0.000 1.126 1187 A CA -0.382 51.543 52.037 -0.187 0.000 0.695 1187 A CB 3.179 22.082 19.000 -0.161 0.000 1.290 1187 A HN 0.695 8.598 8.150 -0.413 0.000 0.414 1188 T N 1.395 115.880 114.554 -0.114 0.000 2.792 1188 T HA 0.277 4.752 4.350 -0.075 -0.170 0.280 1188 T C -0.463 174.174 174.700 -0.105 0.000 0.990 1188 T CA -1.269 60.779 62.100 -0.086 0.000 0.960 1188 T CB 1.124 69.959 68.868 -0.056 0.000 0.939 1188 T HN 0.100 8.278 8.240 -0.104 0.000 0.439 1189 G N 5.944 114.677 108.800 -0.111 0.000 2.787 1189 G HA2 -0.431 3.448 3.960 -0.135 0.000 0.685 1189 G HA3 -0.431 3.440 3.960 -0.149 0.000 0.685 1189 G C 0.203 174.945 174.900 -0.264 0.000 1.437 1189 G CA -0.334 44.670 45.100 -0.160 0.000 0.872 1189 G HN 0.048 8.715 8.290 -0.083 -0.427 0.566 1190 S N 1.261 116.705 115.700 -0.426 0.000 2.359 1190 S HA -0.423 3.767 4.470 -0.467 0.000 0.224 1190 S C 1.559 175.792 174.600 -0.612 0.000 1.035 1190 S CA 4.511 62.305 58.200 -0.676 0.000 1.018 1190 S CB 0.258 62.663 63.200 -1.326 0.000 0.876 1190 S HN -0.043 8.021 8.310 -0.410 0.000 0.448 1191 Q N 2.083 121.533 119.800 -0.584 0.000 2.084 1191 Q HA -0.241 4.052 4.340 -0.078 0.000 0.202 1191 Q C 2.023 177.949 176.000 -0.123 0.000 0.978 1191 Q CA 3.134 58.822 55.803 -0.191 0.000 0.844 1191 Q CB -0.930 27.812 28.738 0.007 0.000 0.898 1191 Q HN 0.307 8.195 8.270 -0.636 0.000 0.426 1192 G N -0.840 107.875 108.800 -0.141 0.000 2.442 1192 G HA2 -0.295 3.621 3.960 -0.074 0.000 0.219 1192 G HA3 -0.295 3.821 3.960 -0.106 -0.220 0.219 1192 G C 1.525 176.352 174.900 -0.122 0.000 1.141 1192 G CA 2.094 47.130 45.100 -0.107 0.000 0.763 1192 G HN -0.405 7.785 8.290 -0.168 0.000 0.554 1193 V N 3.027 122.840 119.914 -0.169 0.000 2.358 1193 V HA -0.382 3.643 4.120 -0.159 0.000 0.246 1193 V C 1.734 177.751 176.094 -0.129 0.000 1.047 1193 V CA 4.226 66.421 62.300 -0.174 0.000 1.035 1193 V CB -0.537 31.136 31.823 -0.251 0.000 0.658 1193 V HN -0.025 8.040 8.190 -0.209 0.000 0.452 1194 M N -0.866 118.666 119.600 -0.113 0.000 2.159 1194 M HA -0.294 4.149 4.480 -0.062 0.000 0.263 1194 M C 2.584 178.861 176.300 -0.040 0.000 1.063 1194 M CA 2.418 57.684 55.300 -0.057 0.000 1.110 1194 M CB -1.467 31.131 32.600 -0.003 0.000 1.374 1194 M HN 0.041 8.178 8.290 -0.140 0.068 0.411 1195 T N 1.874 116.404 114.554 -0.040 0.000 2.708 1195 T HA -0.393 3.944 4.350 -0.022 0.000 0.266 1195 T C 2.212 176.892 174.700 -0.034 0.000 1.037 1195 T CA 4.721 66.803 62.100 -0.031 0.000 1.146 1195 T CB -0.086 68.764 68.868 -0.029 0.000 0.865 1195 T HN 0.186 8.397 8.240 -0.049 0.000 0.435 1196 A N 1.782 124.574 122.820 -0.047 0.000 1.972 1196 A HA -0.166 4.135 4.320 -0.031 0.000 0.219 1196 A C 2.125 179.695 177.584 -0.024 0.000 1.169 1196 A CA 2.842 54.855 52.037 -0.041 0.000 0.635 1196 A CB -0.875 18.088 19.000 -0.062 0.000 0.810 1196 A HN -0.084 7.957 8.150 -0.064 0.071 0.446 1197 L N -0.938 120.268 121.223 -0.027 0.000 2.046 1197 L HA -0.317 4.033 4.340 0.016 0.000 0.208 1197 L C 2.039 178.910 176.870 0.002 0.000 1.077 1197 L CA 3.205 58.043 54.840 -0.005 0.000 0.747 1197 L CB -0.347 41.702 42.059 -0.017 0.000 0.896 1197 L HN 0.345 8.437 8.230 -0.044 0.111 0.432 1198 A N -4.034 118.778 122.820 -0.014 0.000 2.167 1198 A HA -0.148 4.161 4.320 -0.019 0.000 0.214 1198 A C 0.124 177.702 177.584 -0.011 0.000 1.151 1198 A CA 1.184 53.211 52.037 -0.018 0.000 0.735 1198 A CB -0.165 18.819 19.000 -0.027 0.000 0.802 1198 A HN -0.403 7.733 8.150 -0.022 0.000 0.467 1199 A N -3.419 119.397 122.820 -0.006 0.000 2.251 1199 A HA 0.079 4.395 4.320 -0.007 0.000 0.209 1199 A C -0.628 176.959 177.584 0.005 0.000 1.187 1199 A CA 0.211 52.246 52.037 -0.004 0.000 0.823 1199 A CB 0.478 19.474 19.000 -0.007 0.000 0.846 1199 A HN -0.382 7.532 8.150 -0.007 0.231 0.486 1200 G N -2.883 105.926 108.800 0.015 0.000 2.742 1200 G HA2 0.089 4.060 3.960 0.019 0.000 0.296 1200 G HA3 0.089 4.067 3.960 0.031 0.000 0.296 1200 G C -3.333 171.591 174.900 0.041 0.000 1.436 1200 G CA -0.579 44.537 45.100 0.026 0.000 0.928 1200 G HN -0.907 7.318 8.290 0.017 0.075 0.520 1201 D N 0.269 120.693 120.400 0.040 0.000 2.339 1201 D HA -0.233 4.424 4.640 0.029 0.000 0.245 1201 D C 1.336 177.697 176.300 0.102 0.000 1.115 1201 D CA 0.567 54.593 54.000 0.043 0.000 0.917 1201 D CB 1.098 41.908 40.800 0.018 0.000 1.192 1201 D HN -0.021 8.370 8.370 0.034 0.000 0.428 1202 G N 3.261 112.139 108.800 0.129 0.000 2.147 1202 G HA2 -0.488 3.647 3.960 0.260 0.000 0.244 1202 G HA3 -0.488 3.833 3.960 0.374 -0.137 0.244 1202 G C -0.952 174.230 174.900 0.471 0.000 1.005 1202 G CA 0.554 45.859 45.100 0.342 0.000 0.713 1202 G HN 0.392 8.717 8.290 0.058 0.000 0.515 1203 R N -1.586 119.102 120.500 0.314 0.000 2.500 1203 R HA 0.920 5.908 4.340 0.192 -0.533 0.277 1203 R C -1.375 175.115 176.300 0.316 0.000 1.026 1203 R CA -0.742 55.501 56.100 0.239 0.000 1.058 1203 R CB 2.349 32.728 30.300 0.132 0.000 1.078 1203 R HN -0.806 7.603 8.270 0.232 0.000 0.509 1204 I N 0.078 120.766 120.570 0.198 0.000 2.894 1204 I HA 0.729 5.250 4.170 0.344 -0.145 0.302 1204 I C -2.438 173.767 176.117 0.146 0.000 1.188 1204 I CA -1.480 59.949 61.300 0.214 0.000 1.014 1204 I CB 4.408 42.458 38.000 0.084 0.000 1.242 1204 I HN 0.367 8.641 8.210 0.106 0.000 0.430 1205 T N 4.441 119.115 114.554 0.200 0.000 2.665 1205 T HA 0.552 5.174 4.350 0.309 -0.086 0.303 1205 T C -2.391 172.335 174.700 0.044 0.000 1.334 1205 T CA -2.477 59.696 62.100 0.121 0.000 1.011 1205 T CB 2.019 70.807 68.868 -0.134 0.000 1.573 1205 T HN 0.261 8.639 8.240 0.229 0.000 0.492 1206 Y N -1.854 118.252 120.300 -0.323 0.000 2.468 1206 Y HA 1.023 5.443 4.550 -0.532 -0.190 0.342 1206 Y C -1.996 173.690 175.900 -0.357 0.000 1.021 1206 Y CA -2.659 55.057 58.100 -0.640 0.000 1.079 1206 Y CB 2.475 39.932 38.460 -1.672 0.000 1.226 1206 Y HN 0.193 7.942 8.280 -0.885 0.000 0.460 1207 M N 1.560 121.049 119.600 -0.185 0.000 2.490 1207 M HA 0.268 4.637 4.480 -0.185 0.000 0.286 1207 M C -1.985 174.309 176.300 -0.009 0.000 1.185 1207 M CA -1.208 54.013 55.300 -0.132 0.000 0.912 1207 M CB 4.955 37.483 32.600 -0.121 0.000 1.744 1207 M HN 0.423 8.636 8.290 -0.128 0.000 0.494 1208 S N 5.080 120.814 115.700 0.057 0.000 2.599 1208 S HA -0.053 4.530 4.470 0.189 0.000 0.303 1208 S C -0.147 174.512 174.600 0.098 0.000 1.267 1208 S CA -0.786 57.517 58.200 0.171 0.000 1.055 1208 S CB 1.000 64.411 63.200 0.351 0.000 0.790 1208 S HN 0.652 8.974 8.310 0.019 0.000 0.500 1209 P HA -0.100 4.253 4.420 -0.111 0.000 0.223 1209 P C 0.499 177.679 177.300 -0.200 0.000 1.151 1209 P CA 1.727 64.756 63.100 -0.119 0.000 0.787 1209 P CB 0.299 31.894 31.700 -0.175 0.000 0.788 1210 D N -2.070 118.176 120.400 -0.256 0.000 2.178 1210 D HA -0.202 4.196 4.640 -0.404 0.000 0.202 1210 D C 1.199 177.326 176.300 -0.288 0.000 0.974 1210 D CA 2.678 56.470 54.000 -0.348 0.000 0.841 1210 D CB 0.061 40.608 40.800 -0.421 0.000 0.953 1210 D HN -0.510 7.727 8.370 -0.202 0.012 0.478 1211 F N -2.195 117.689 119.950 -0.109 0.000 2.530 1211 F HA -0.090 4.385 4.527 -0.087 0.000 0.292 1211 F C 1.027 176.763 175.800 -0.106 0.000 1.109 1211 F CA 1.712 59.658 58.000 -0.090 0.000 1.450 1211 F CB 0.808 39.770 39.000 -0.064 0.000 1.114 1211 F HN -0.815 7.524 8.300 0.232 0.101 0.560 1212 A N -3.385 119.461 122.820 0.043 0.000 2.070 1212 A HA -0.250 4.063 4.320 -0.012 0.000 0.220 1212 A C -0.588 176.952 177.584 -0.074 0.000 1.159 1212 A CA 1.370 53.391 52.037 -0.028 0.000 0.656 1212 A CB 0.546 19.511 19.000 -0.057 0.000 0.800 1212 A HN -0.369 7.774 8.150 0.030 0.025 0.453 1213 A N -3.855 118.907 122.820 -0.096 0.000 2.520 1213 A HA 0.421 4.677 4.320 -0.108 0.000 0.298 1213 A C -2.888 174.622 177.584 -0.125 0.000 1.051 1213 A CA -2.239 49.729 52.037 -0.115 0.000 0.690 1213 A CB 1.200 20.123 19.000 -0.128 0.000 1.281 1213 A HN -0.897 7.136 8.150 -0.108 0.052 0.402 1214 P HA -0.063 4.278 4.420 -0.131 0.000 0.222 1214 P C -0.897 176.327 177.300 -0.128 0.000 1.147 1214 P CA 0.789 63.819 63.100 -0.117 0.000 0.790 1214 P CB 0.660 32.304 31.700 -0.093 0.000 0.780 1215 T N -7.739 106.740 114.554 -0.124 0.000 2.906 1215 T HA 0.178 4.451 4.350 -0.128 0.000 0.295 1215 T C 1.138 175.757 174.700 -0.135 0.000 1.061 1215 T CA -2.884 59.143 62.100 -0.123 0.000 1.000 1215 T CB 3.000 71.808 68.868 -0.100 0.000 1.103 1215 T HN -0.751 7.393 8.240 -0.119 0.024 0.486 1216 L N 2.547 123.686 121.223 -0.140 0.000 2.043 1216 L HA -0.387 3.849 4.340 -0.172 0.000 0.212 1216 L C 2.258 179.053 176.870 -0.125 0.000 1.075 1216 L CA 3.034 57.786 54.840 -0.147 0.000 0.752 1216 L CB -0.404 41.570 42.059 -0.143 0.000 0.891 1216 L HN 0.619 8.768 8.230 -0.135 0.000 0.432 1217 A N -1.395 121.363 122.820 -0.103 0.000 2.019 1217 A HA -0.122 4.146 4.320 -0.086 0.000 0.219 1217 A C 2.550 180.080 177.584 -0.090 0.000 1.164 1217 A CA 2.246 54.230 52.037 -0.088 0.000 0.644 1217 A CB -0.856 18.100 19.000 -0.073 0.000 0.805 1217 A HN 0.179 8.270 8.150 -0.098 0.000 0.449 1218 G N -1.569 107.171 108.800 -0.100 0.000 2.470 1218 G HA2 -0.274 3.630 3.960 -0.094 0.000 0.220 1218 G HA3 -0.274 3.620 3.960 -0.110 0.000 0.220 1218 G C 1.437 176.271 174.900 -0.111 0.000 1.121 1218 G CA 1.408 46.446 45.100 -0.104 0.000 0.766 1218 G HN -0.464 7.645 8.290 -0.105 0.118 0.553 1219 L N -0.947 120.203 121.223 -0.122 0.000 2.265 1219 L HA -0.223 4.039 4.340 -0.130 0.000 0.215 1219 L C 0.632 177.439 176.870 -0.105 0.000 1.117 1219 L CA 1.781 56.543 54.840 -0.131 0.000 0.782 1219 L CB -0.323 41.636 42.059 -0.167 0.000 0.914 1219 L HN -0.516 7.516 8.230 -0.129 0.121 0.441 1220 D N -4.487 115.862 120.400 -0.085 0.000 2.340 1220 D HA 0.042 4.652 4.640 -0.051 0.000 0.220 1220 D C -0.700 175.578 176.300 -0.036 0.000 1.039 1220 D CA 0.736 54.702 54.000 -0.056 0.000 0.866 1220 D CB 0.581 41.350 40.800 -0.051 0.000 0.913 1220 D HN -0.560 7.614 8.370 -0.089 0.143 0.523 1221 D N 0.795 121.165 120.400 -0.050 0.000 2.422 1221 D HA 0.066 4.690 4.640 -0.026 0.000 0.227 1221 D C -0.638 175.651 176.300 -0.019 0.000 1.190 1221 D CA -0.960 53.014 54.000 -0.043 0.000 0.905 1221 D CB 0.231 40.987 40.800 -0.072 0.000 1.034 1221 D HN -0.668 7.483 8.370 -0.071 0.176 0.507 1222 A N 6.629 129.472 122.820 0.039 0.000 2.252 1222 A HA 0.231 4.937 4.320 0.162 -0.289 0.207 1222 A C 1.033 178.748 177.584 0.219 0.000 1.194 1222 A CA 0.954 53.071 52.037 0.133 0.000 0.809 1222 A CB -0.312 18.765 19.000 0.128 0.000 0.814 1222 A HN 0.310 8.480 8.150 0.033 0.000 0.482 1223 T N -6.037 108.573 114.554 0.094 0.000 3.129 1223 T HA -0.016 4.488 4.350 0.257 0.000 0.251 1223 T C 0.415 174.993 174.700 -0.203 0.000 1.117 1223 T CA 1.651 63.803 62.100 0.087 0.000 1.034 1223 T CB 0.206 69.079 68.868 0.008 0.000 0.968 1223 T HN -0.047 8.453 8.240 0.021 -0.246 0.526 1224 K N -1.347 118.778 120.400 -0.458 0.000 2.620 1224 K HA 0.344 3.746 4.320 -1.529 0.000 0.208 1224 K C -2.259 173.812 176.600 -0.881 0.000 1.582 1224 K CA 0.569 56.299 56.287 -0.930 0.000 1.083 1224 K CB 3.953 36.185 32.500 -0.447 0.000 1.420 1224 K HN -0.126 7.841 8.250 -0.213 0.155 0.582 1225 V N 0.171 119.910 119.914 -0.291 0.000 2.443 1225 V HA 0.282 4.531 4.120 0.000 -0.129 0.293 1225 V C -1.398 174.847 176.094 0.252 0.000 1.021 1225 V CA -2.385 59.905 62.300 -0.016 0.000 0.848 1225 V CB 1.612 33.395 31.823 -0.066 0.000 0.998 1225 V HN 0.079 8.180 8.190 -0.147 0.000 0.424 1226 A N 8.643 131.743 122.820 0.466 0.000 2.462 1226 A HA 0.295 5.146 4.320 0.474 -0.247 0.243 1226 A C -0.355 177.380 177.584 0.253 0.000 1.076 1226 A CA -0.240 52.042 52.037 0.410 0.000 0.773 1226 A CB 0.979 20.177 19.000 0.330 0.000 1.010 1226 A HN 0.705 9.157 8.150 0.505 0.000 0.493 1227 R N 0.552 121.175 120.500 0.205 0.000 2.539 1227 R HA 0.286 5.047 4.340 0.230 -0.283 0.275 1227 R C -0.761 175.647 176.300 0.180 0.000 1.077 1227 R CA 0.251 56.466 56.100 0.192 0.000 1.097 1227 R CB 1.225 31.607 30.300 0.136 0.000 1.018 1227 R HN -0.026 8.360 8.270 0.193 0.000 0.483 1228 V N -0.580 119.444 119.914 0.183 0.000 2.588 1228 V HA 0.693 5.214 4.120 0.048 -0.373 0.304 1228 V C 0.176 176.252 176.094 -0.029 0.000 1.042 1228 V CA -1.803 60.513 62.300 0.027 0.000 0.877 1228 V CB 2.348 34.078 31.823 -0.155 0.000 0.996 1228 V HN 0.245 8.603 8.190 0.279 0.000 0.425 1229 G N 5.892 114.685 108.800 -0.012 0.000 2.227 1229 G HA2 -0.255 3.700 3.960 -0.009 0.000 0.168 1229 G HA3 -0.255 3.697 3.960 -0.015 0.000 0.168 1229 G C -1.164 173.747 174.900 0.018 0.000 1.006 1229 G CA -0.317 44.780 45.100 -0.006 0.000 0.684 1229 G HN 0.962 9.257 8.290 0.008 0.000 0.489 1230 K N 1.579 121.995 120.400 0.027 0.000 2.469 1230 K HA -0.307 4.137 4.320 0.030 -0.106 0.274 1230 K C -1.257 175.357 176.600 0.023 0.000 0.983 1230 K CA 0.647 56.951 56.287 0.029 0.000 0.974 1230 K CB 1.083 33.603 32.500 0.032 0.000 0.913 1230 K HN -0.591 7.678 8.250 0.032 0.000 0.493 1231 N N 5.992 124.705 118.700 0.022 0.000 2.675 1231 N HA 0.204 4.954 4.740 0.017 0.000 0.254 1231 N C 0.134 175.654 175.510 0.017 0.000 1.224 1231 N CA -0.819 52.242 53.050 0.018 0.000 0.777 1231 N CB 1.285 39.783 38.487 0.018 0.000 1.256 1231 N HN 0.864 9.132 8.380 0.023 0.126 0.531 1232 V N 5.543 125.467 119.914 0.016 0.000 2.324 1232 V HA -0.437 3.693 4.120 0.017 0.000 0.250 1232 V C 1.679 177.781 176.094 0.014 0.000 1.060 1232 V CA 3.614 65.923 62.300 0.015 0.000 1.042 1232 V CB -0.364 31.468 31.823 0.014 0.000 0.650 1232 V HN 0.628 8.827 8.190 0.016 0.000 0.450 1233 A N -0.829 121.998 122.820 0.013 0.000 2.019 1233 A HA -0.148 4.178 4.320 0.011 0.000 0.219 1233 A C 0.819 178.410 177.584 0.012 0.000 1.164 1233 A CA 2.867 54.910 52.037 0.011 0.000 0.644 1233 A CB -0.468 18.538 19.000 0.010 0.000 0.805 1233 A HN -0.246 8.001 8.150 0.012 -0.089 0.449 1234 T N -6.999 107.563 114.554 0.014 0.000 3.145 1234 T HA 0.000 4.358 4.350 0.013 0.000 0.255 1234 T C -0.078 174.631 174.700 0.015 0.000 1.039 1234 T CA -1.524 60.584 62.100 0.014 0.000 0.928 1234 T CB 0.646 69.523 68.868 0.015 0.000 1.029 1234 T HN -0.485 8.006 8.240 0.014 -0.242 0.554 1235 N N 1.109 119.818 118.700 0.015 0.000 2.740 1235 N HA -0.405 4.345 4.740 0.016 0.000 0.248 1235 N C -1.729 173.792 175.510 0.018 0.000 1.062 1235 N CA 1.517 54.577 53.050 0.016 0.000 0.704 1235 N CB -1.428 37.068 38.487 0.015 0.000 0.968 1235 N HN 0.053 8.246 8.380 0.015 0.196 0.547 1236 T N 1.166 115.732 114.554 0.020 0.000 2.792 1236 T HA 0.225 4.588 4.350 0.023 0.000 0.280 1236 T C -1.304 173.411 174.700 0.026 0.000 0.990 1236 T CA -0.139 61.975 62.100 0.023 0.000 0.960 1236 T CB 2.372 71.254 68.868 0.022 0.000 0.939 1236 T HN 0.149 8.401 8.240 0.020 0.000 0.439 1237 Q N 6.756 126.573 119.800 0.029 0.000 2.299 1237 Q HA 0.143 4.586 4.340 0.035 -0.082 0.246 1237 Q C 0.152 176.176 176.000 0.040 0.000 0.935 1237 Q CA -0.158 55.666 55.803 0.035 0.000 0.887 1237 Q CB 1.791 30.551 28.738 0.036 0.000 1.223 1237 Q HN 0.516 8.803 8.270 0.028 0.000 0.439 1238 G N 0.915 109.744 108.800 0.048 0.000 2.588 1238 G HA2 0.171 4.159 3.960 0.046 0.000 0.278 1238 G HA3 0.171 4.232 3.960 0.063 -0.063 0.278 1238 G C -1.506 173.442 174.900 0.081 0.000 1.307 1238 G CA -0.519 44.617 45.100 0.059 0.000 1.016 1238 G HN 0.604 9.545 8.290 0.050 -0.621 0.503 1239 V N -1.412 118.575 119.914 0.122 0.000 2.680 1239 V HA 0.289 4.470 4.120 0.102 0.000 0.309 1239 V C -0.943 175.289 176.094 0.231 0.000 1.052 1239 V CA -1.846 60.548 62.300 0.156 0.000 0.908 1239 V CB 3.988 35.907 31.823 0.159 0.000 1.001 1239 V HN -0.227 8.044 8.190 0.136 0.000 0.431 1240 S N 5.173 120.927 115.700 0.090 0.000 2.600 1240 S HA 0.204 4.687 4.470 0.022 0.000 0.265 1240 S C -1.387 173.000 174.600 -0.356 0.000 1.325 1240 S CA -2.076 56.099 58.200 -0.043 0.000 1.002 1240 S CB 0.451 63.606 63.200 -0.075 0.000 0.921 1240 S HN 0.362 8.703 8.310 0.050 0.000 0.554 1241 P HA 0.141 3.477 4.420 -1.808 0.000 0.256 1241 P C -0.801 176.180 177.300 -0.531 0.000 1.384 1241 P CA -0.779 61.623 63.100 -1.162 0.000 0.879 1241 P CB -0.165 30.914 31.700 -1.036 0.000 1.403 1242 A N 0.619 123.244 122.820 -0.326 0.000 2.555 1242 A HA -0.187 4.005 4.320 -0.213 0.000 0.233 1242 A C 1.080 178.555 177.584 -0.182 0.000 1.060 1242 A CA 0.176 52.085 52.037 -0.213 0.000 0.759 1242 A CB 0.450 19.363 19.000 -0.145 0.000 0.995 1242 A HN -0.658 7.249 8.150 -0.281 0.074 0.506 1243 A N 3.775 126.504 122.820 -0.152 0.000 1.948 1243 A HA -0.391 3.868 4.320 -0.102 0.000 0.220 1243 A C 1.844 179.387 177.584 -0.068 0.000 1.177 1243 A CA 3.093 55.067 52.037 -0.105 0.000 0.636 1243 A CB -0.182 18.759 19.000 -0.099 0.000 0.815 1243 A HN 0.610 8.662 8.150 -0.164 0.000 0.449 1244 A N -3.892 118.890 122.820 -0.064 0.000 2.076 1244 A HA -0.176 4.128 4.320 -0.026 0.000 0.220 1244 A C 0.822 178.396 177.584 -0.018 0.000 1.160 1244 A CA 2.355 54.371 52.037 -0.035 0.000 0.653 1244 A CB -0.454 18.526 19.000 -0.034 0.000 0.801 1244 A HN 0.246 8.343 8.150 -0.078 0.006 0.455 1245 N N -3.857 114.828 118.700 -0.026 0.000 2.412 1245 N HA -0.036 4.720 4.740 0.027 0.000 0.184 1245 N C 0.283 175.822 175.510 0.047 0.000 1.101 1245 N CA 1.147 54.207 53.050 0.017 0.000 0.881 1245 N CB 0.846 39.350 38.487 0.027 0.000 0.969 1245 N HN -0.202 7.989 8.380 -0.060 0.154 0.459 1246 V N -5.364 114.558 119.914 0.013 0.000 3.556 1246 V HA 0.446 4.588 4.120 0.037 0.000 0.287 1246 V C 0.641 176.736 176.094 0.002 0.000 1.422 1246 V CA 0.336 62.644 62.300 0.012 0.000 1.038 1246 V CB 0.148 31.963 31.823 -0.012 0.000 0.850 1246 V HN -0.233 7.789 8.190 -0.020 0.156 0.437 1247 S N 3.573 119.276 115.700 0.005 0.000 2.382 1247 S HA -0.389 4.085 4.470 0.007 0.000 0.228 1247 S C 1.412 176.037 174.600 0.042 0.000 1.027 1247 S CA 4.813 63.022 58.200 0.015 0.000 0.991 1247 S CB -0.724 62.481 63.200 0.009 0.000 0.823 1247 S HN -0.385 7.926 8.310 0.001 0.000 0.469 1248 A N -0.074 122.776 122.820 0.049 0.000 1.877 1248 A HA -0.298 4.063 4.320 0.068 0.000 0.216 1248 A C 1.246 178.887 177.584 0.094 0.000 1.186 1248 A CA 3.167 55.244 52.037 0.067 0.000 0.620 1248 A CB -0.738 18.298 19.000 0.061 0.000 0.822 1248 A HN 0.305 8.479 8.150 0.040 0.000 0.443 1249 A N -3.622 119.254 122.820 0.094 0.000 1.902 1249 A HA -0.343 4.077 4.320 0.167 0.000 0.217 1249 A C 2.390 180.097 177.584 0.206 0.000 1.181 1249 A CA 2.488 54.612 52.037 0.145 0.000 0.623 1249 A CB -0.547 18.515 19.000 0.103 0.000 0.818 1249 A HN -0.302 7.889 8.150 0.069 0.000 0.443 1250 I N -1.583 119.067 120.570 0.133 0.000 2.163 1250 I HA -0.411 3.901 4.170 0.237 0.000 0.243 1250 I C 2.489 178.734 176.117 0.213 0.000 1.085 1250 I CA 1.860 63.249 61.300 0.147 0.000 1.347 1250 I CB -1.305 36.685 38.000 -0.016 0.000 1.044 1250 I HN 0.114 8.362 8.210 0.063 0.000 0.408 1251 G N -2.526 106.369 108.800 0.158 0.000 2.471 1251 G HA2 -0.192 3.876 3.960 0.181 0.000 0.219 1251 G HA3 -0.192 3.849 3.960 0.135 0.000 0.219 1251 G C -0.506 174.519 174.900 0.209 0.000 1.125 1251 G CA 1.248 46.451 45.100 0.171 0.000 0.775 1251 G HN 0.052 8.414 8.290 0.120 0.000 0.548 1252 A N -0.661 122.279 122.820 0.200 0.000 2.238 1252 A HA 0.100 4.517 4.320 0.161 0.000 0.208 1252 A C 0.142 177.854 177.584 0.213 0.000 1.177 1252 A CA -0.463 51.684 52.037 0.183 0.000 0.804 1252 A CB 0.154 19.244 19.000 0.151 0.000 0.823 1252 A HN -0.652 7.506 8.150 0.199 0.111 0.482 1253 V N 2.006 122.097 119.914 0.295 0.000 2.521 1253 V HA 0.041 4.272 4.120 0.186 0.000 0.286 1253 V C -2.065 174.249 176.094 0.367 0.000 1.034 1253 V CA -1.800 60.683 62.300 0.304 0.000 1.045 1253 V CB 0.722 32.776 31.823 0.386 0.000 0.974 1253 V HN -0.645 7.544 8.190 0.330 0.199 0.480 1254 P HA -0.056 4.372 4.420 0.014 0.000 0.268 1254 P C -1.158 176.119 177.300 -0.039 0.000 1.205 1254 P CA -0.082 63.046 63.100 0.046 0.000 0.771 1254 P CB 0.117 31.798 31.700 -0.031 0.000 0.858 1255 V N -1.675 117.983 119.914 -0.425 0.000 3.237 1255 V HA 0.016 3.297 4.120 -1.400 0.000 0.305 1255 V C -1.034 174.721 176.094 -0.566 0.000 1.096 1255 V CA -2.953 58.812 62.300 -0.893 0.000 1.130 1255 V CB -1.150 30.049 31.823 -1.041 0.000 1.048 1255 V HN 0.033 7.987 8.190 -0.394 0.000 0.484 1256 P HA 0.001 4.202 4.420 -0.366 0.000 0.269 1256 P C 0.603 177.633 177.300 -0.450 0.000 1.209 1256 P CA -0.333 62.440 63.100 -0.545 0.000 0.776 1256 P CB -0.115 31.097 31.700 -0.813 0.000 0.876 1257 A N 4.840 127.478 122.820 -0.302 0.000 2.540 1257 A HA -0.083 4.109 4.320 -0.215 0.000 0.239 1257 A C 2.324 179.768 177.584 -0.234 0.000 1.061 1257 A CA -0.458 51.443 52.037 -0.227 0.000 0.758 1257 A CB 0.194 19.101 19.000 -0.155 0.000 0.991 1257 A HN 0.275 nan 8.150 nan 0.000 0.502 1258 A N 5.904 128.609 122.820 -0.192 0.000 1.903 1258 A HA -0.254 3.954 4.320 -0.186 0.000 0.219 1258 A C 2.006 179.523 177.584 -0.112 0.000 1.191 1258 A CA 1.759 53.703 52.037 -0.155 0.000 0.638 1258 A CB -0.058 18.873 19.000 -0.115 0.000 0.823 1258 A HN 0.541 nan 8.150 nan 0.000 0.451 1259 A N -3.998 118.767 122.820 -0.091 0.000 2.121 1259 A HA -0.120 4.175 4.320 -0.042 0.000 0.218 1259 A C 0.970 178.526 177.584 -0.046 0.000 1.154 1259 A CA 1.903 53.906 52.037 -0.057 0.000 0.679 1259 A CB -0.259 18.712 19.000 -0.048 0.000 0.795 1259 A HN 0.097 8.185 8.150 -0.097 0.004 0.458 1260 D N -3.515 116.837 120.400 -0.081 0.000 2.349 1260 D HA 0.148 4.778 4.640 -0.017 0.000 0.214 1260 D C 0.919 177.199 176.300 -0.033 0.000 1.063 1260 D CA 0.549 54.512 54.000 -0.061 0.000 0.847 1260 D CB 0.179 40.917 40.800 -0.102 0.000 0.933 1260 D HN -0.111 7.842 8.370 -0.126 0.341 0.513 1261 R N -0.532 119.952 120.500 -0.027 0.000 2.236 1261 R HA -0.129 4.214 4.340 0.006 0.000 0.208 1261 R C 1.780 178.319 176.300 0.399 0.000 1.036 1261 R CA 3.063 59.247 56.100 0.140 0.000 1.001 1261 R CB -0.016 30.336 30.300 0.087 0.000 0.896 1261 R HN -0.423 7.716 8.270 -0.046 0.104 0.464 1262 S N -0.760 115.072 115.700 0.219 0.000 2.474 1262 S HA -0.242 4.375 4.470 0.245 0.000 0.235 1262 S C -1.002 173.744 174.600 0.242 0.000 0.997 1262 S CA 1.760 60.090 58.200 0.216 0.000 0.949 1262 S CB -0.243 63.035 63.200 0.129 0.000 0.766 1262 S HN 0.062 8.433 8.310 0.128 0.016 0.517 1263 N N 2.521 121.363 118.700 0.237 0.000 2.406 1263 N HA 0.348 5.197 4.740 0.183 0.000 0.251 1263 N C -1.161 174.544 175.510 0.325 0.000 1.069 1263 N CA -3.093 50.086 53.050 0.215 0.000 0.947 1263 N CB 0.035 38.604 38.487 0.137 0.000 1.111 1263 N HN -0.352 7.888 8.380 0.204 0.262 0.497 1264 P HA -0.222 4.468 4.420 0.451 0.000 0.219 1264 P C 0.950 178.435 177.300 0.308 0.000 1.146 1264 P CA 2.022 65.309 63.100 0.312 0.000 0.808 1264 P CB 0.298 32.090 31.700 0.153 0.000 0.779 1265 D N -1.462 119.068 120.400 0.216 0.000 2.218 1265 D HA -0.306 4.428 4.640 0.157 0.000 0.204 1265 D C 0.987 177.381 176.300 0.156 0.000 0.976 1265 D CA 3.167 57.265 54.000 0.164 0.000 0.853 1265 D CB -0.134 40.735 40.800 0.115 0.000 0.939 1265 D HN 0.026 8.786 8.370 0.188 -0.278 0.481 1266 A N -2.412 120.501 122.820 0.156 0.000 2.119 1266 A HA -0.108 4.214 4.320 0.003 0.000 0.216 1266 A C 0.990 178.558 177.584 -0.026 0.000 1.152 1266 A CA 1.943 53.991 52.037 0.018 0.000 0.708 1266 A CB -0.348 18.610 19.000 -0.070 0.000 0.805 1266 A HN -0.151 7.983 8.150 0.211 0.142 0.460 1267 W N -4.533 116.829 121.300 0.103 0.000 2.658 1267 W HA -0.122 4.628 4.660 0.151 0.000 0.263 1267 W C -0.217 176.396 176.519 0.157 0.000 1.274 1267 W CA 1.725 59.164 57.345 0.156 0.000 1.343 1267 W CB 0.737 30.315 29.460 0.197 0.000 1.106 1267 W HN -0.781 7.500 8.180 0.488 0.192 0.615 1268 V N 0.562 120.638 119.914 0.270 0.000 2.318 1268 V HA 0.276 4.448 4.120 0.086 0.000 0.271 1268 V C -2.434 173.698 176.094 0.064 0.000 1.030 1268 V CA -3.722 58.664 62.300 0.143 0.000 0.844 1268 V CB 0.048 31.969 31.823 0.163 0.000 1.015 1268 V HN -0.952 7.388 8.190 0.249 0.000 0.460 1269 P HA 0.061 4.464 4.420 -0.028 0.000 0.275 1269 P C -1.567 175.776 177.300 0.071 0.000 1.227 1269 P CA -0.422 62.651 63.100 -0.045 0.000 0.781 1269 P CB 0.433 32.044 31.700 -0.148 0.000 0.906 1270 V N -4.775 115.138 119.914 -0.000 0.000 2.769 1270 V HA 0.477 4.729 4.120 0.220 0.000 0.312 1270 V C -1.183 174.813 176.094 -0.164 0.000 1.061 1270 V CA -2.953 59.382 62.300 0.058 0.000 0.931 1270 V CB 3.619 35.510 31.823 0.112 0.000 1.010 1270 V HN 0.018 8.175 8.190 -0.054 0.000 0.433 1271 F N 2.084 122.013 119.950 -0.034 0.000 2.370 1271 F HA 0.908 5.803 4.527 -0.297 -0.547 0.324 1271 F C 0.286 175.934 175.800 -0.253 0.000 1.116 1271 F CA -0.549 57.246 58.000 -0.341 0.000 1.123 1271 F CB 2.203 40.699 39.000 -0.839 0.000 1.238 1271 F HN 0.285 8.829 8.300 0.406 0.000 0.536 1272 G N -2.586 106.128 108.800 -0.142 0.000 2.427 1272 G HA2 0.159 4.272 3.960 0.256 0.000 0.306 1272 G HA3 0.159 4.158 3.960 0.065 0.000 0.306 1272 G C -3.652 171.315 174.900 0.111 0.000 1.280 1272 G CA -0.289 44.865 45.100 0.089 0.000 0.837 1272 G HN 0.153 8.272 8.290 -0.285 0.000 0.482 1273 P HA 0.009 4.492 4.420 0.105 0.000 0.270 1273 P C -0.897 176.440 177.300 0.061 0.000 1.223 1273 P CA -0.181 62.968 63.100 0.083 0.000 0.785 1273 P CB 0.481 32.210 31.700 0.049 0.000 0.923 1274 D N 2.269 122.705 120.400 0.060 0.000 2.378 1274 D HA -0.163 4.508 4.640 0.051 0.000 0.238 1274 D C 1.151 177.468 176.300 0.028 0.000 1.180 1274 D CA 0.868 54.896 54.000 0.047 0.000 0.895 1274 D CB 0.612 41.441 40.800 0.047 0.000 1.192 1274 D HN 0.311 8.718 8.370 0.061 0.000 0.438 1275 N N -2.861 115.852 118.700 0.022 0.000 2.693 1275 N HA -0.390 4.357 4.740 0.011 0.000 0.249 1275 N C -1.165 174.350 175.510 0.008 0.000 1.119 1275 N CA 1.371 54.429 53.050 0.013 0.000 0.717 1275 N CB -0.045 38.450 38.487 0.014 0.000 1.071 1275 N HN 0.510 8.905 8.380 0.025 0.000 0.555 1276 T N 1.161 115.718 114.554 0.006 0.000 2.842 1276 T HA 0.138 4.490 4.350 0.004 0.000 0.308 1276 T C -1.864 172.831 174.700 -0.007 0.000 1.041 1276 T CA -0.867 61.234 62.100 0.003 0.000 0.964 1276 T CB 1.710 70.584 68.868 0.010 0.000 0.972 1276 T HN -0.662 7.561 8.240 0.005 0.020 0.460 1277 A N 6.791 129.606 122.820 -0.008 0.000 2.483 1277 A HA 0.027 4.334 4.320 -0.022 0.000 0.238 1277 A C 0.708 178.281 177.584 -0.018 0.000 1.070 1277 A CA 1.253 53.280 52.037 -0.016 0.000 0.770 1277 A CB 0.265 19.256 19.000 -0.015 0.000 1.008 1277 A HN 0.188 8.335 8.150 -0.005 0.000 0.497 1278 G N 1.357 110.139 108.800 -0.029 0.000 2.199 1278 G HA2 -0.170 3.769 3.960 -0.036 0.000 0.254 1278 G HA3 -0.170 3.780 3.960 -0.017 0.000 0.254 1278 G C -1.161 173.714 174.900 -0.042 0.000 0.982 1278 G CA 0.030 45.112 45.100 -0.030 0.000 0.632 1278 G HN 0.419 8.687 8.290 -0.036 0.000 0.529 1279 V N -6.413 113.468 119.914 -0.055 0.000 2.925 1279 V HA 0.752 4.920 4.120 -0.110 -0.114 0.311 1279 V C -2.191 173.819 176.094 -0.141 0.000 1.104 1279 V CA -3.307 58.937 62.300 -0.093 0.000 0.954 1279 V CB 3.205 34.997 31.823 -0.052 0.000 1.022 1279 V HN -0.579 7.462 8.190 -0.046 0.122 0.427 1280 Q N 2.204 121.832 119.800 -0.287 0.000 2.279 1280 Q HA 0.453 4.696 4.340 -0.160 0.000 0.256 1280 Q C -1.730 174.185 176.000 -0.143 0.000 0.937 1280 Q CA -3.185 52.439 55.803 -0.299 0.000 0.933 1280 Q CB -0.222 28.131 28.738 -0.642 0.000 1.189 1280 Q HN 0.522 8.546 8.270 -0.412 0.000 0.417 1281 P HA -0.080 4.560 4.420 0.051 -0.190 0.265 1281 P C -0.647 176.765 177.300 0.187 0.000 1.187 1281 P CA 0.107 63.252 63.100 0.074 0.000 0.766 1281 P CB 0.546 32.299 31.700 0.088 0.000 0.820 1282 Y N 3.374 123.855 120.300 0.302 0.000 2.597 1282 Y HA -0.144 4.542 4.550 0.226 0.000 0.336 1282 Y C -0.353 175.643 175.900 0.160 0.000 1.216 1282 Y CA 0.123 58.364 58.100 0.234 0.000 1.463 1282 Y CB -0.479 38.115 38.460 0.223 0.000 1.303 1282 Y HN -0.225 8.231 8.280 0.292 0.000 0.576 1283 P HA 0.132 4.650 4.420 0.164 0.000 0.271 1283 P C -0.755 176.625 177.300 0.133 0.000 1.218 1283 P CA -0.454 62.743 63.100 0.163 0.000 0.780 1283 P CB 0.913 32.681 31.700 0.113 0.000 0.901 1284 T N -3.515 111.102 114.554 0.105 0.000 3.054 1284 T HA -0.127 4.273 4.350 0.082 0.000 0.259 1284 T C -0.038 174.698 174.700 0.061 0.000 1.092 1284 T CA 1.270 63.418 62.100 0.080 0.000 1.121 1284 T CB 0.170 69.080 68.868 0.071 0.000 0.912 1284 T HN 0.141 8.444 8.240 0.104 0.000 0.489 1285 S N 0.820 116.556 115.700 0.061 0.000 2.704 1285 S HA 0.173 4.670 4.470 0.046 0.000 0.305 1285 S C -0.580 174.052 174.600 0.054 0.000 1.107 1285 S CA -0.933 57.298 58.200 0.052 0.000 0.993 1285 S CB 1.940 65.171 63.200 0.051 0.000 1.110 1285 S HN -0.633 7.720 8.310 0.071 0.000 0.534 1286 G N 1.024 109.857 108.800 0.055 0.000 2.601 1286 G HA2 -0.288 3.717 3.960 0.075 0.000 0.252 1286 G HA3 -0.288 3.832 3.960 0.074 -0.116 0.252 1286 G C -1.762 173.191 174.900 0.088 0.000 1.294 1286 G CA -0.171 44.973 45.100 0.074 0.000 0.912 1286 G HN -0.061 8.259 8.290 0.051 0.000 0.574 1287 Y N 2.846 123.127 120.300 -0.031 0.000 2.316 1287 Y HA 0.215 4.735 4.550 -0.050 0.000 0.331 1287 Y C -1.042 174.805 175.900 -0.090 0.000 1.083 1287 Y CA -1.748 56.316 58.100 -0.061 0.000 1.206 1287 Y CB 2.366 40.779 38.460 -0.078 0.000 1.195 1287 Y HN 0.005 8.292 8.280 0.204 0.114 0.497 1288 P HA -0.019 4.328 4.420 -0.122 0.000 0.234 1288 P C -1.958 175.029 177.300 -0.522 0.000 1.175 1288 P CA 0.340 63.207 63.100 -0.389 0.000 0.801 1288 P CB 0.937 32.471 31.700 -0.277 0.000 0.891 1289 I N -0.751 119.309 120.570 -0.850 0.000 2.297 1289 I HA 0.120 3.756 4.170 -0.890 0.000 0.291 1289 I C -1.946 174.088 176.117 -0.139 0.000 1.033 1289 I CA -0.269 60.616 61.300 -0.692 0.000 1.253 1289 I CB -1.063 36.466 38.000 -0.786 0.000 1.396 1289 I HN -0.472 6.976 8.210 -1.271 0.000 0.476 1290 L N 2.104 123.265 121.223 -0.103 0.000 2.765 1290 L HA 1.052 5.498 4.340 -0.053 -0.138 0.263 1290 L C -1.693 175.105 176.870 -0.119 0.000 1.068 1290 L CA -1.733 53.017 54.840 -0.149 0.000 0.903 1290 L CB 3.947 45.833 42.059 -0.288 0.000 1.512 1290 L HN -0.151 8.084 8.230 0.009 0.000 0.404 1291 G N -3.460 105.273 108.800 -0.113 0.000 2.348 1291 G HA2 0.325 4.492 3.960 0.346 0.000 0.296 1291 G HA3 0.325 4.428 3.960 0.239 0.000 0.296 1291 G C -3.027 171.742 174.900 -0.219 0.000 1.258 1291 G CA 0.726 45.869 45.100 0.072 0.000 0.868 1291 G HN 0.226 8.411 8.290 -0.174 0.000 0.488 1292 F N -1.750 118.306 119.950 0.175 0.000 2.522 1292 F HA 0.738 5.424 4.527 0.049 -0.130 0.324 1292 F C -0.406 175.439 175.800 0.076 0.000 1.077 1292 F CA -1.171 56.881 58.000 0.086 0.000 0.944 1292 F CB 4.140 43.171 39.000 0.050 0.000 1.175 1292 F HN 0.286 8.836 8.300 0.418 0.000 0.468 1293 T N 2.252 116.923 114.554 0.195 0.000 2.888 1293 T HA 0.269 4.726 4.350 0.178 0.000 0.284 1293 T C -1.224 173.604 174.700 0.213 0.000 1.017 1293 T CA -1.984 60.207 62.100 0.152 0.000 1.022 1293 T CB 1.244 70.120 68.868 0.012 0.000 1.013 1293 T HN 0.374 8.694 8.240 0.133 0.000 0.465 1294 N N 4.630 123.467 118.700 0.229 0.000 2.469 1294 N HA 0.694 5.763 4.740 0.253 -0.178 0.286 1294 N C -1.569 174.104 175.510 0.273 0.000 1.275 1294 N CA -1.151 52.043 53.050 0.240 0.000 0.790 1294 N CB 4.470 43.077 38.487 0.199 0.000 1.446 1294 N HN 0.533 8.934 8.380 0.217 0.109 0.501 1295 L N -1.405 119.983 121.223 0.276 0.000 2.362 1295 L HA 0.714 5.439 4.340 0.370 -0.162 0.271 1295 L C -1.369 175.655 176.870 0.257 0.000 1.002 1295 L CA -1.057 53.992 54.840 0.350 0.000 0.818 1295 L CB 3.320 45.660 42.059 0.469 0.000 1.298 1295 L HN 0.968 9.348 8.230 0.251 0.000 0.420 1296 I N 0.326 120.984 120.570 0.147 0.000 2.382 1296 I HA 0.826 5.130 4.170 -0.139 -0.218 0.286 1296 I C -1.090 174.814 176.117 -0.356 0.000 1.002 1296 I CA -2.508 58.669 61.300 -0.205 0.000 1.135 1296 I CB 0.070 37.766 38.000 -0.507 0.000 1.288 1296 I HN 0.735 9.056 8.210 0.185 0.000 0.448 1297 F N 6.487 126.313 119.950 -0.207 0.000 2.664 1297 F HA 0.489 5.226 4.527 0.350 0.000 0.329 1297 F C -1.071 174.818 175.800 0.149 0.000 1.090 1297 F CA -1.693 56.386 58.000 0.130 0.000 0.978 1297 F CB 5.185 44.368 39.000 0.306 0.000 1.378 1297 F HN 0.923 9.252 8.300 0.047 0.000 0.495 1298 S N -0.727 115.316 115.700 0.572 0.000 2.585 1298 S HA 0.229 4.886 4.470 0.312 0.000 0.277 1298 S C 0.196 174.875 174.600 0.131 0.000 1.241 1298 S CA -0.994 57.345 58.200 0.232 0.000 1.041 1298 S CB 1.569 64.622 63.200 -0.245 0.000 0.987 1298 S HN 0.074 8.873 8.310 0.815 0.000 0.512 1299 Q N 3.526 123.374 119.800 0.080 0.000 2.167 1299 Q HA -0.148 4.217 4.340 0.041 0.000 0.202 1299 Q C -0.814 175.217 176.000 0.052 0.000 0.970 1299 Q CA 2.932 58.773 55.803 0.063 0.000 0.855 1299 Q CB 1.055 29.846 28.738 0.088 0.000 0.911 1299 Q HN 0.442 8.784 8.270 0.119 0.000 0.438 1300 c N -4.312 114.253 118.600 -0.059 0.000 2.626 1300 c HA 0.309 4.925 4.570 0.077 0.000 0.310 1300 c C -1.428 172.466 174.090 -0.326 0.000 1.191 1300 c CA -0.844 55.457 56.329 -0.046 0.000 1.517 1300 c CB 2.288 44.807 42.510 0.016 0.000 2.102 1300 c HN -0.543 7.593 8.230 -0.119 0.023 0.479 1301 Y N 1.091 121.432 120.300 0.069 0.000 2.391 1301 Y HA 0.115 4.935 4.550 0.006 -0.267 0.341 1301 Y C -0.370 175.542 175.900 0.021 0.000 0.965 1301 Y CA -0.785 57.337 58.100 0.037 0.000 1.067 1301 Y CB 2.738 41.230 38.460 0.053 0.000 1.199 1301 Y HN 0.196 8.613 8.280 0.228 0.000 0.450 1302 A N 2.790 125.672 122.820 0.104 0.000 1.940 1302 A HA -0.252 4.239 4.320 0.071 -0.129 0.219 1302 A C -0.123 177.512 177.584 0.086 0.000 1.176 1302 A CA 1.822 53.905 52.037 0.076 0.000 0.631 1302 A CB 0.568 19.595 19.000 0.045 0.000 0.814 1302 A HN 0.604 8.668 8.150 0.045 0.113 0.446 1303 D N -1.858 118.602 120.400 0.101 0.000 2.308 1303 D HA -0.017 4.652 4.640 0.048 0.000 0.251 1303 D C 0.417 176.756 176.300 0.064 0.000 1.127 1303 D CA -0.505 53.533 54.000 0.064 0.000 0.876 1303 D CB 1.913 42.735 40.800 0.037 0.000 1.176 1303 D HN -0.484 7.963 8.370 0.133 0.003 0.446 1304 A N 6.956 129.802 122.820 0.043 0.000 1.969 1304 A HA -0.308 4.045 4.320 0.055 0.000 0.218 1304 A C 1.298 178.895 177.584 0.020 0.000 1.169 1304 A CA 3.352 55.412 52.037 0.039 0.000 0.635 1304 A CB -0.051 18.968 19.000 0.031 0.000 0.810 1304 A HN 0.602 8.773 8.150 0.035 0.000 0.445 1305 T N 0.395 114.950 114.554 0.001 0.000 2.737 1305 T HA -0.374 3.972 4.350 -0.007 0.000 0.265 1305 T C 2.764 177.427 174.700 -0.061 0.000 1.038 1305 T CA 3.974 66.062 62.100 -0.020 0.000 1.144 1305 T CB -0.255 68.598 68.868 -0.025 0.000 0.866 1305 T HN -0.346 8.017 8.240 0.002 -0.122 0.434 1306 Q N 2.165 121.906 119.800 -0.100 0.000 2.170 1306 Q HA -0.163 4.005 4.340 -0.287 0.000 0.203 1306 Q C 2.710 178.563 176.000 -0.246 0.000 0.976 1306 Q CA 2.274 57.932 55.803 -0.241 0.000 0.858 1306 Q CB -0.066 28.504 28.738 -0.281 0.000 0.907 1306 Q HN 0.329 nan 8.270 nan 0.000 0.433 1307 T N 2.287 116.803 114.554 -0.062 0.000 2.737 1307 T HA -0.407 3.974 4.350 0.051 0.000 0.265 1307 T C 1.228 175.938 174.700 0.017 0.000 1.038 1307 T CA 4.536 66.655 62.100 0.033 0.000 1.144 1307 T CB 0.195 69.135 68.868 0.120 0.000 0.866 1307 T HN -0.042 8.110 8.240 0.002 0.090 0.434 1308 T N 0.701 115.265 114.554 0.018 0.000 2.867 1308 T HA -0.392 3.982 4.350 0.041 0.000 0.268 1308 T C 1.868 176.600 174.700 0.054 0.000 1.057 1308 T CA 3.950 66.070 62.100 0.034 0.000 1.136 1308 T CB -0.361 68.526 68.868 0.031 0.000 0.874 1308 T HN -0.040 8.208 8.240 0.013 0.000 0.466 1309 Q N 2.536 122.355 119.800 0.032 0.000 2.084 1309 Q HA -0.334 4.089 4.340 0.138 0.000 0.202 1309 Q C 2.461 178.611 176.000 0.250 0.000 0.978 1309 Q CA 3.408 59.275 55.803 0.106 0.000 0.844 1309 Q CB -0.017 28.726 28.738 0.008 0.000 0.898 1309 Q HN 0.138 8.122 8.270 -0.019 0.276 0.426 1310 V N -0.382 119.615 119.914 0.139 0.000 2.358 1310 V HA -0.447 4.013 4.120 0.567 0.000 0.246 1310 V C 1.927 178.159 176.094 0.230 0.000 1.047 1310 V CA 3.922 66.375 62.300 0.256 0.000 1.035 1310 V CB -0.749 31.116 31.823 0.070 0.000 0.658 1310 V HN 0.186 8.363 8.190 -0.021 0.000 0.452 1311 R N -0.056 120.505 120.500 0.101 0.000 2.083 1311 R HA -0.433 3.907 4.340 -0.000 0.000 0.237 1311 R C 2.414 178.792 176.300 0.131 0.000 1.137 1311 R CA 4.425 60.567 56.100 0.069 0.000 0.951 1311 R CB -0.373 29.948 30.300 0.034 0.000 0.851 1311 R HN 0.016 8.326 8.270 0.068 0.000 0.434 1312 D N -0.704 119.776 120.400 0.133 0.000 2.178 1312 D HA -0.242 4.441 4.640 0.072 0.000 0.201 1312 D C 2.218 178.576 176.300 0.097 0.000 0.980 1312 D CA 3.200 57.263 54.000 0.106 0.000 0.842 1312 D CB -0.615 40.246 40.800 0.101 0.000 0.948 1312 D HN -0.026 8.425 8.370 0.135 0.000 0.472 1313 F N 2.141 122.084 119.950 -0.011 0.000 2.102 1313 F HA -0.346 4.013 4.527 -0.281 0.000 0.298 1313 F C 1.082 176.812 175.800 -0.117 0.000 1.105 1313 F CA 2.854 60.727 58.000 -0.211 0.000 1.239 1313 F CB -0.042 38.660 39.000 -0.496 0.000 0.991 1313 F HN -0.439 7.985 8.300 0.337 0.078 0.474 1314 F N -1.251 118.464 119.950 -0.392 0.000 2.171 1314 F HA -0.559 3.715 4.527 -0.422 0.000 0.300 1314 F C 2.211 177.929 175.800 -0.137 0.000 1.090 1314 F CA 4.533 62.362 58.000 -0.285 0.000 1.293 1314 F CB -0.128 38.801 39.000 -0.118 0.000 1.013 1314 F HN -0.140 8.390 8.300 0.383 0.000 0.486 1315 T N 1.138 115.730 114.554 0.064 0.000 2.759 1315 T HA -0.538 3.857 4.350 0.075 0.000 0.269 1315 T C 0.982 175.653 174.700 -0.047 0.000 1.042 1315 T CA 4.938 67.058 62.100 0.033 0.000 1.140 1315 T CB -0.306 68.583 68.868 0.035 0.000 0.864 1315 T HN 0.116 8.333 8.240 0.090 0.077 0.455 1316 K N 1.004 121.322 120.400 -0.138 0.000 2.005 1316 K HA -0.247 4.010 4.320 -0.105 0.000 0.206 1316 K C 3.169 179.605 176.600 -0.274 0.000 1.044 1316 K CA 2.906 59.091 56.287 -0.171 0.000 0.942 1316 K CB 0.056 32.471 32.500 -0.141 0.000 0.727 1316 K HN -0.679 7.389 8.250 -0.163 0.085 0.439 1317 H N 0.457 119.111 119.070 -0.692 0.000 2.456 1317 H HA -0.231 3.948 4.556 -0.628 0.000 0.296 1317 H C 0.550 175.332 175.328 -0.910 0.000 1.079 1317 H CA 3.132 58.632 56.048 -0.914 0.000 1.322 1317 H CB 0.621 29.454 29.762 -1.547 0.000 1.388 1317 H HN 0.042 7.887 8.280 -0.725 0.000 0.538 1318 Y N -5.955 114.192 120.300 -0.255 0.000 2.681 1318 Y HA 0.068 4.524 4.550 -0.157 0.000 0.267 1318 Y C -1.328 174.530 175.900 -0.070 0.000 1.166 1318 Y CA -1.385 56.633 58.100 -0.136 0.000 1.209 1318 Y CB 0.047 38.482 38.460 -0.043 0.000 1.161 1318 Y HN -0.297 7.830 8.280 -0.232 0.014 0.534 1319 G N -0.428 108.355 108.800 -0.028 0.000 2.467 1319 G HA2 -0.073 3.910 3.960 0.038 0.000 0.257 1319 G HA3 -0.073 4.093 3.960 -0.025 -0.221 0.257 1319 G C -0.990 173.910 174.900 0.000 0.000 1.227 1319 G CA -0.836 44.264 45.100 -0.001 0.000 0.835 1319 G HN -0.669 7.374 8.290 -0.128 0.169 0.556 1320 A N 2.172 125.004 122.820 0.020 0.000 1.877 1320 A HA -0.205 4.137 4.320 0.037 0.000 0.216 1320 A C 0.345 177.934 177.584 0.008 0.000 1.186 1320 A CA 2.586 54.637 52.037 0.024 0.000 0.620 1320 A CB 0.318 19.335 19.000 0.028 0.000 0.822 1320 A HN 0.248 8.413 8.150 0.024 0.000 0.443 1321 S N -5.737 109.962 115.700 -0.001 0.000 2.670 1321 S HA -0.065 4.400 4.470 -0.008 0.000 0.241 1321 S C -1.205 173.384 174.600 -0.018 0.000 1.077 1321 S CA 0.139 58.334 58.200 -0.008 0.000 0.899 1321 S CB 1.465 64.663 63.200 -0.002 0.000 0.835 1321 S HN 0.061 8.371 8.310 0.000 0.000 0.481 1322 N N 2.952 121.640 118.700 -0.019 0.000 2.439 1322 N HA -0.072 4.654 4.740 -0.024 0.000 0.243 1322 N C -1.875 173.608 175.510 -0.046 0.000 1.088 1322 N CA 0.446 53.480 53.050 -0.026 0.000 0.940 1322 N CB -0.167 38.310 38.487 -0.017 0.000 1.180 1322 N HN -0.028 8.341 8.380 -0.018 0.000 0.505 1323 N N 1.051 119.716 118.700 -0.059 0.000 3.308 1323 N HA 0.290 5.166 4.740 -0.113 -0.204 0.276 1323 N C -0.977 174.481 175.510 -0.087 0.000 1.533 1323 N CA -0.807 52.183 53.050 -0.099 0.000 0.878 1323 N CB 2.063 40.471 38.487 -0.132 0.000 1.566 1323 N HN -0.543 7.808 8.380 -0.047 0.000 0.546 1324 N N -2.712 115.919 118.700 -0.116 0.000 2.314 1324 N HA 0.092 4.816 4.740 -0.027 0.000 0.200 1324 N C -0.249 175.215 175.510 -0.076 0.000 1.135 1324 N CA 0.147 53.160 53.050 -0.061 0.000 0.835 1324 N CB 0.061 38.565 38.487 0.028 0.000 0.989 1324 N HN 0.403 8.663 8.380 -0.200 0.000 0.478 1325 D N 1.830 122.173 120.400 -0.095 0.000 2.144 1325 D HA -0.231 4.353 4.640 -0.094 0.000 0.199 1325 D C 1.125 177.398 176.300 -0.045 0.000 0.984 1325 D CA 3.649 57.602 54.000 -0.077 0.000 0.834 1325 D CB -0.603 40.155 40.800 -0.069 0.000 0.955 1325 D HN 0.273 9.124 8.370 -0.099 -0.541 0.465 1326 A N -0.667 122.130 122.820 -0.038 0.000 1.902 1326 A HA -0.317 3.982 4.320 -0.034 0.000 0.217 1326 A C 1.711 179.276 177.584 -0.032 0.000 1.181 1326 A CA 3.226 55.243 52.037 -0.033 0.000 0.623 1326 A CB -0.735 18.247 19.000 -0.030 0.000 0.818 1326 A HN 0.308 8.435 8.150 -0.039 0.000 0.443 1327 A N -2.112 120.694 122.820 -0.023 0.000 1.933 1327 A HA -0.332 3.970 4.320 -0.029 0.000 0.218 1327 A C 2.176 179.758 177.584 -0.003 0.000 1.175 1327 A CA 2.536 54.564 52.037 -0.016 0.000 0.628 1327 A CB -0.791 18.211 19.000 0.004 0.000 0.814 1327 A HN -0.473 7.665 8.150 -0.020 0.000 0.444 1328 I N -1.843 118.736 120.570 0.014 0.000 2.118 1328 I HA -0.657 3.603 4.170 0.150 0.000 0.241 1328 I C 2.012 178.149 176.117 0.034 0.000 1.070 1328 I CA 4.440 65.779 61.300 0.066 0.000 1.327 1328 I CB -0.120 37.896 38.000 0.027 0.000 1.034 1328 I HN 0.131 8.266 8.210 -0.004 0.073 0.405 1329 T N 1.721 116.263 114.554 -0.019 0.000 2.788 1329 T HA -0.299 4.195 4.350 -0.061 -0.180 0.268 1329 T C 2.346 176.979 174.700 -0.111 0.000 1.044 1329 T CA 4.340 66.404 62.100 -0.059 0.000 1.139 1329 T CB -0.071 68.768 68.868 -0.049 0.000 0.867 1329 T HN -0.252 7.974 8.240 -0.022 0.000 0.454 1330 A N -0.729 122.033 122.820 -0.098 0.000 2.121 1330 A HA -0.140 4.107 4.320 -0.122 0.000 0.218 1330 A C 0.306 177.777 177.584 -0.188 0.000 1.154 1330 A CA 2.126 54.089 52.037 -0.122 0.000 0.679 1330 A CB -0.729 18.217 19.000 -0.090 0.000 0.795 1330 A HN -0.330 7.678 8.150 -0.068 0.101 0.458 1331 N N -3.800 114.758 118.700 -0.236 0.000 2.280 1331 N HA -0.030 4.606 4.740 -0.352 -0.107 0.192 1331 N C -1.005 173.999 175.510 -0.844 0.000 1.109 1331 N CA 0.290 53.092 53.050 -0.412 0.000 0.855 1331 N CB 1.293 39.652 38.487 -0.214 0.000 0.974 1331 N HN -0.719 7.396 8.380 -0.170 0.163 0.482 1332 A N -4.973 117.481 122.820 -0.610 0.000 3.194 1332 A HA -0.384 3.722 4.320 -0.356 0.000 0.235 1332 A C -2.292 174.930 177.584 -0.604 0.000 1.339 1332 A CA 1.267 52.953 52.037 -0.586 0.000 0.930 1332 A CB -1.808 16.854 19.000 -0.563 0.000 1.101 1332 A HN -0.350 7.401 8.150 -0.379 0.172 0.713 1333 F N -5.318 114.572 119.950 -0.100 0.000 2.572 1333 F HA 0.469 4.938 4.527 -0.097 0.000 0.342 1333 F C -1.069 174.680 175.800 -0.086 0.000 1.064 1333 F CA -1.901 56.043 58.000 -0.094 0.000 1.008 1333 F CB 2.495 41.441 39.000 -0.089 0.000 1.303 1333 F HN -0.619 7.521 8.300 -0.268 0.000 0.492 1334 V N 0.690 120.688 119.914 0.140 0.000 2.370 1334 V HA 0.403 4.538 4.120 0.025 0.000 0.283 1334 V C -2.140 173.972 176.094 0.029 0.000 1.023 1334 V CA -3.662 58.663 62.300 0.041 0.000 0.857 1334 V CB 1.029 32.850 31.823 -0.002 0.000 0.985 1334 V HN 0.799 8.984 8.190 0.169 0.106 0.443 1335 P HA 0.078 4.472 4.420 -0.044 0.000 0.277 1335 P C -1.325 175.979 177.300 0.007 0.000 1.240 1335 P CA -0.869 62.220 63.100 -0.018 0.000 0.798 1335 P CB 0.802 32.482 31.700 -0.034 0.000 0.979 1336 L N 0.130 121.355 121.223 0.003 0.000 2.461 1336 L HA 0.186 4.538 4.340 0.021 0.000 0.272 1336 L C -0.741 176.196 176.870 0.113 0.000 1.197 1336 L CA -1.261 53.608 54.840 0.048 0.000 0.836 1336 L CB -0.901 41.214 42.059 0.093 0.000 1.105 1336 L HN 0.326 8.530 8.230 -0.042 0.000 0.477 1337 P HA 0.215 4.711 4.420 0.126 0.000 0.276 1337 P C 0.991 178.421 177.300 0.217 0.000 1.252 1337 P CA -0.628 62.585 63.100 0.189 0.000 0.802 1337 P CB 1.284 33.119 31.700 0.225 0.000 1.035 1338 T N 2.477 117.119 114.554 0.146 0.000 2.592 1338 T HA -0.546 3.871 4.350 0.113 0.000 0.267 1338 T C 1.912 176.696 174.700 0.140 0.000 1.060 1338 T CA 6.190 68.363 62.100 0.120 0.000 1.167 1338 T CB -0.193 68.722 68.868 0.078 0.000 0.863 1338 T HN 0.286 8.594 8.240 0.114 0.000 0.431 1339 A N -0.191 122.706 122.820 0.129 0.000 1.986 1339 A HA -0.189 4.150 4.320 0.032 0.000 0.220 1339 A C 1.792 179.418 177.584 0.070 0.000 1.171 1339 A CA 2.937 55.014 52.037 0.068 0.000 0.640 1339 A CB -0.994 18.025 19.000 0.032 0.000 0.811 1339 A HN 0.368 8.596 8.150 0.130 0.000 0.451 1340 W N -2.229 119.111 121.300 0.068 0.000 2.441 1340 W HA -0.338 4.365 4.660 0.070 0.000 0.302 1340 W C 1.942 178.539 176.519 0.129 0.000 1.191 1340 W CA 4.121 61.522 57.345 0.093 0.000 1.327 1340 W CB 0.258 29.785 29.460 0.111 0.000 1.128 1340 W HN -0.227 7.943 8.180 0.410 0.257 0.522 1341 K N -1.314 119.319 120.400 0.389 0.000 2.063 1341 K HA -0.524 4.065 4.320 0.448 0.000 0.208 1341 K C 2.329 179.055 176.600 0.210 0.000 1.048 1341 K CA 4.102 60.585 56.287 0.327 0.000 0.928 1341 K CB -0.438 32.210 32.500 0.246 0.000 0.713 1341 K HN -0.037 8.426 8.250 0.354 0.000 0.442 1342 A N -1.280 121.624 122.820 0.141 0.000 1.933 1342 A HA -0.278 4.090 4.320 0.080 0.000 0.218 1342 A C 1.929 179.546 177.584 0.055 0.000 1.175 1342 A CA 3.282 55.366 52.037 0.078 0.000 0.628 1342 A CB -0.714 18.313 19.000 0.044 0.000 0.814 1342 A HN 0.557 8.718 8.150 0.139 0.073 0.444 1343 T N 1.565 116.147 114.554 0.046 0.000 2.737 1343 T HA -0.406 3.934 4.350 -0.018 0.000 0.265 1343 T C 1.802 176.606 174.700 0.174 0.000 1.038 1343 T CA 5.059 67.174 62.100 0.024 0.000 1.144 1343 T CB -0.080 68.696 68.868 -0.155 0.000 0.866 1343 T HN -0.531 7.654 8.240 0.047 0.084 0.434 1344 V N 1.394 121.452 119.914 0.241 0.000 2.287 1344 V HA -0.509 3.746 4.120 0.224 0.000 0.248 1344 V C 1.837 177.958 176.094 0.045 0.000 1.053 1344 V CA 4.213 66.602 62.300 0.148 0.000 1.027 1344 V CB -0.857 30.868 31.823 -0.164 0.000 0.646 1344 V HN -0.060 8.284 8.190 0.256 0.000 0.447 1345 R N -1.443 119.094 120.500 0.061 0.000 2.096 1345 R HA -0.363 4.030 4.340 0.087 0.000 0.235 1345 R C 2.134 178.428 176.300 -0.010 0.000 1.127 1345 R CA 3.752 59.886 56.100 0.056 0.000 0.968 1345 R CB -0.425 29.922 30.300 0.078 0.000 0.861 1345 R HN 0.181 8.505 8.270 0.091 0.000 0.440 1346 A N -1.784 121.022 122.820 -0.022 0.000 1.972 1346 A HA -0.126 4.170 4.320 -0.040 0.000 0.219 1346 A C 0.667 178.173 177.584 -0.130 0.000 1.169 1346 A CA 2.512 54.516 52.037 -0.055 0.000 0.635 1346 A CB -0.525 18.451 19.000 -0.042 0.000 0.810 1346 A HN -0.103 8.051 8.150 0.007 0.000 0.446 1347 S N -2.956 112.595 115.700 -0.249 0.000 2.371 1347 S HA -0.151 4.121 4.470 -0.329 0.000 0.221 1347 S C 1.581 175.802 174.600 -0.632 0.000 1.036 1347 S CA 3.534 61.406 58.200 -0.546 0.000 0.965 1347 S CB 1.163 63.794 63.200 -0.948 0.000 0.845 1347 S HN -0.702 7.486 8.310 -0.202 0.000 0.475 1348 F N -2.379 117.480 119.950 -0.152 0.000 2.731 1348 F HA 0.170 4.716 4.527 -0.232 -0.158 0.298 1348 F C 1.294 176.955 175.800 -0.231 0.000 1.106 1348 F CA 1.750 59.597 58.000 -0.256 0.000 1.329 1348 F CB 1.277 40.032 39.000 -0.408 0.000 1.100 1348 F HN -0.007 8.098 8.300 -0.325 0.000 0.592 1349 L N -1.141 120.071 121.223 -0.019 0.000 2.519 1349 L HA 0.162 4.479 4.340 -0.038 0.000 0.194 1349 L C 0.525 177.384 176.870 -0.018 0.000 1.072 1349 L CA 0.868 55.699 54.840 -0.014 0.000 0.845 1349 L CB 1.264 43.341 42.059 0.031 0.000 1.138 1349 L HN 0.128 8.229 8.230 -0.032 0.110 0.487 1350 T N 2.891 117.430 114.554 -0.025 0.000 2.831 1350 T HA -0.208 4.137 4.350 -0.009 0.000 0.291 1350 T C 0.399 175.085 174.700 -0.023 0.000 0.981 1350 T CA 1.844 63.932 62.100 -0.021 0.000 1.174 1350 T CB 0.617 69.469 68.868 -0.027 0.000 0.929 1350 T HN -0.333 7.886 8.240 -0.035 0.000 0.532 1351 A N 9.044 131.858 122.820 -0.010 0.000 1.908 1351 A HA -0.247 4.070 4.320 -0.005 0.000 0.218 1351 A C 1.677 179.256 177.584 -0.008 0.000 1.181 1351 A CA 2.970 55.003 52.037 -0.005 0.000 0.627 1351 A CB -0.267 18.734 19.000 0.002 0.000 0.818 1351 A HN 0.614 8.761 8.150 -0.006 0.000 0.445 1352 S N -4.183 111.511 115.700 -0.010 0.000 2.507 1352 S HA -0.229 4.238 4.470 -0.004 0.000 0.235 1352 S C -0.326 174.264 174.600 -0.016 0.000 0.988 1352 S CA 0.786 58.980 58.200 -0.010 0.000 0.944 1352 S CB -0.249 62.945 63.200 -0.010 0.000 0.762 1352 S HN -0.214 8.090 8.310 -0.011 0.000 0.526 1353 N N 2.179 120.861 118.700 -0.029 0.000 2.513 1353 N HA -0.056 4.662 4.740 -0.037 0.000 0.268 1353 N C 0.459 175.953 175.510 -0.027 0.000 1.180 1353 N CA 0.504 53.529 53.050 -0.042 0.000 0.948 1353 N CB 1.560 39.998 38.487 -0.082 0.000 1.083 1353 N HN -0.568 7.648 8.380 -0.033 0.145 0.455 1354 A N 4.430 127.240 122.820 -0.017 0.000 2.076 1354 A HA -0.184 4.142 4.320 0.011 0.000 0.220 1354 A C 0.284 177.878 177.584 0.017 0.000 1.160 1354 A CA 2.204 54.244 52.037 0.005 0.000 0.653 1354 A CB -0.364 18.643 19.000 0.013 0.000 0.801 1354 A HN 0.669 8.808 8.150 -0.019 0.000 0.455 1355 L N -6.475 114.742 121.223 -0.009 0.000 2.592 1355 L HA 0.151 4.543 4.340 0.087 0.000 0.227 1355 L C 0.120 177.026 176.870 0.060 0.000 1.127 1355 L CA -0.633 54.224 54.840 0.028 0.000 0.884 1355 L CB -0.165 41.849 42.059 -0.074 0.000 1.065 1355 L HN -0.466 8.051 8.230 -0.053 -0.319 0.457 1356 S N 0.223 115.927 115.700 0.007 0.000 2.564 1356 S HA -0.012 4.570 4.470 0.010 -0.106 0.278 1356 S C 0.047 174.661 174.600 0.024 0.000 1.333 1356 S CA -0.479 57.724 58.200 0.005 0.000 1.048 1356 S CB 1.236 64.423 63.200 -0.021 0.000 0.900 1356 S HN -0.277 7.879 8.310 -0.008 0.149 0.505 1357 I N 2.557 123.119 120.570 -0.013 0.000 2.741 1357 I HA -0.447 3.941 4.170 0.021 -0.205 0.288 1357 I C 1.414 177.548 176.117 0.028 0.000 1.192 1357 I CA 2.231 63.521 61.300 -0.017 0.000 1.426 1357 I CB -0.642 37.273 38.000 -0.141 0.000 1.367 1357 I HN 0.472 8.546 8.210 -0.052 0.105 0.563 1358 G N 6.762 115.605 108.800 0.071 0.000 2.155 1358 G HA2 -0.582 3.435 3.960 0.096 0.000 0.257 1358 G HA3 -0.582 3.420 3.960 0.070 0.000 0.257 1358 G C -0.768 174.162 174.900 0.050 0.000 0.983 1358 G CA 0.053 45.197 45.100 0.073 0.000 0.676 1358 G HN 0.846 9.191 8.290 0.092 0.000 0.528 1359 N N 0.726 119.451 118.700 0.041 0.000 2.301 1359 N HA -0.192 4.562 4.740 0.024 0.000 0.267 1359 N C 1.260 176.791 175.510 0.034 0.000 1.304 1359 N CA 0.760 53.828 53.050 0.031 0.000 0.851 1359 N CB 0.753 39.258 38.487 0.029 0.000 1.070 1359 N HN -0.576 7.787 8.380 0.042 0.043 0.483 1360 T N 7.145 121.716 114.554 0.029 0.000 2.720 1360 T HA -0.477 3.893 4.350 0.034 0.000 0.268 1360 T C 1.013 175.730 174.700 0.029 0.000 1.037 1360 T CA 4.541 66.658 62.100 0.029 0.000 1.144 1360 T CB 0.104 68.986 68.868 0.023 0.000 0.864 1360 T HN 0.155 8.410 8.240 0.024 0.000 0.444 1361 N N -0.315 118.400 118.700 0.025 0.000 2.047 1361 N HA -0.191 4.562 4.740 0.022 0.000 0.193 1361 N C 2.644 178.171 175.510 0.029 0.000 1.055 1361 N CA 2.659 55.723 53.050 0.024 0.000 0.847 1361 N CB -0.001 38.498 38.487 0.019 0.000 1.038 1361 N HN -0.468 8.049 8.380 0.023 -0.124 0.427 1362 V N -0.117 119.816 119.914 0.032 0.000 2.407 1362 V HA -0.375 3.767 4.120 0.035 0.000 0.248 1362 V C 0.680 176.801 176.094 0.045 0.000 1.055 1362 V CA 3.385 65.708 62.300 0.038 0.000 1.049 1362 V CB 0.244 32.092 31.823 0.042 0.000 0.662 1362 V HN -0.124 8.452 8.190 0.030 -0.368 0.455 1363 c N -4.565 114.063 118.600 0.047 0.000 2.578 1363 c HA 0.056 4.660 4.570 0.057 0.000 0.285 1363 c C -0.776 173.343 174.090 0.049 0.000 1.297 1363 c CA -1.160 55.201 56.329 0.053 0.000 1.690 1363 c CB -2.275 40.271 42.510 0.060 0.000 1.773 1363 c HN -0.126 8.021 8.230 0.044 0.110 0.594 1364 N N 1.314 120.039 118.700 0.041 0.000 2.468 1364 N HA -0.186 4.578 4.740 0.039 0.000 0.265 1364 N C 1.058 176.591 175.510 0.039 0.000 1.199 1364 N CA 1.733 54.805 53.050 0.037 0.000 0.928 1364 N CB 0.448 38.953 38.487 0.030 0.000 1.059 1364 N HN -0.731 7.525 8.380 0.037 0.146 0.467 1365 G N 4.715 113.539 108.800 0.041 0.000 2.175 1365 G HA2 -0.303 3.681 3.960 0.041 0.000 0.265 1365 G HA3 -0.303 3.678 3.960 0.036 0.000 0.265 1365 G C -0.476 174.456 174.900 0.054 0.000 0.979 1365 G CA 0.605 45.730 45.100 0.042 0.000 0.663 1365 G HN 0.022 8.336 8.290 0.041 0.000 0.533 1366 I N -0.219 120.388 120.570 0.062 0.000 2.693 1366 I HA 0.244 4.577 4.170 0.099 -0.104 0.303 1366 I C -1.171 174.994 176.117 0.080 0.000 1.025 1366 I CA -1.059 60.290 61.300 0.082 0.000 1.086 1366 I CB 3.100 41.146 38.000 0.076 0.000 1.268 1366 I HN -0.434 7.664 8.210 0.058 0.147 0.440 1367 G N 1.030 109.890 108.800 0.101 0.000 2.347 1367 G HA2 -0.108 4.105 3.960 -0.016 0.000 0.321 1367 G HA3 -0.108 3.852 3.960 -0.010 -0.006 0.321 1367 G C -1.829 172.987 174.900 -0.141 0.000 1.412 1367 G CA -0.546 44.553 45.100 -0.001 0.000 0.990 1367 G HN 0.293 8.694 8.290 0.184 0.000 0.637 1368 R N -0.651 119.593 120.500 -0.426 0.000 2.698 1368 R HA 0.111 3.477 4.340 -1.623 0.000 0.266 1368 R C -1.344 174.694 176.300 -0.436 0.000 1.026 1368 R CA -1.624 54.001 56.100 -0.790 0.000 1.102 1368 R CB -1.060 28.884 30.300 -0.594 0.000 0.978 1368 R HN -0.186 7.709 8.270 -0.474 0.091 0.436 1369 P HA 0.060 4.409 4.420 -0.119 0.000 0.271 1369 P C 1.065 178.326 177.300 -0.065 0.000 1.216 1369 P CA -0.034 62.930 63.100 -0.226 0.000 0.776 1369 P CB 0.695 32.262 31.700 -0.223 0.000 0.881 1370 L N 2.780 123.999 121.223 -0.005 0.000 2.127 1370 L HA 0.069 4.447 4.340 0.062 0.000 0.203 1370 L C -0.780 176.091 176.870 0.001 0.000 1.080 1370 L CA 1.429 56.283 54.840 0.024 0.000 0.768 1370 L CB 0.035 42.107 42.059 0.021 0.000 0.924 1370 L HN 0.028 nan 8.230 nan 0.000 0.444 1371 L N 0.000 121.217 121.223 -0.010 0.000 2.949 1371 L HA 0.000 4.326 4.340 -0.023 0.000 0.249 1371 L CA 0.000 54.832 54.840 -0.014 0.000 0.813 1371 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 1371 L HN 0.000 8.227 8.230 -0.005 0.000 0.502