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 2b4s_1_D DATA FIRST_RESID 987 DATA SEQUENCE DEWEVSREKI TLLRELGQGS FGMVYEGNAR DIIKGEAETR VAVKTVNESA DATA SEQUENCE SLRERIEFLN EASVMKGFTC HHVVRLLGVV SKGQPTLVVM ELMAHGDLKS DATA SEQUENCE YLRSLRPEAE NNPGRPPPTL QEMIQMAAEI ADGMAYLNAK KFVHRDLAAR DATA SEQUENCE NCMVAHDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM APESLKDGVF DATA SEQUENCE TTSSDMWSFG VVLWEITSLA EQPYQGLSNE QVLKFVMDGG YLDQPDNCPE DATA SEQUENCE RVTDLMRMCW QFNPNMRPTF LEIVNLLKDD LHPSFPEVSF FHSEENK 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 987 D HA 0.000 nan 4.640 nan 0.000 0.175 987 D C 0.000 176.350 176.300 0.083 0.000 2.045 987 D CA 0.000 54.061 54.000 0.102 0.000 0.868 987 D CB 0.000 40.869 40.800 0.115 0.000 0.688 988 E N 2.009 122.236 120.200 0.044 0.000 2.478 988 E HA -0.054 4.296 4.350 -0.000 0.000 0.198 988 E C 1.185 177.656 176.600 -0.215 0.000 1.046 988 E CA 0.750 57.082 56.400 -0.113 0.000 0.870 988 E CB -0.485 29.089 29.700 -0.210 0.000 0.818 988 E HN 0.640 nan 8.360 nan 0.000 0.527 989 W N 0.248 121.529 121.300 -0.033 0.000 3.139 989 W HA 0.304 4.964 4.660 -0.000 0.000 0.260 989 W C 0.831 177.331 176.519 -0.031 0.000 1.312 989 W CA -0.073 57.250 57.345 -0.036 0.000 1.606 989 W CB 0.417 29.846 29.460 -0.051 0.000 1.118 989 W HN 0.160 nan 8.180 nan 0.000 0.675 990 E N 1.135 121.423 120.200 0.147 0.000 2.366 990 E HA 0.206 4.556 4.350 -0.000 0.000 0.266 990 E C -0.520 176.109 176.600 0.048 0.000 1.015 990 E CA 0.114 56.566 56.400 0.086 0.000 0.906 990 E CB 0.563 30.298 29.700 0.058 0.000 0.979 990 E HN -0.199 nan 8.360 nan 0.000 0.443 991 V N 3.969 123.911 119.914 0.048 0.000 2.581 991 V HA 0.302 4.422 4.120 -0.000 0.000 0.303 991 V C 0.169 176.276 176.094 0.021 0.000 1.041 991 V CA -0.907 61.410 62.300 0.028 0.000 0.907 991 V CB 1.886 33.730 31.823 0.035 0.000 0.994 991 V HN 0.707 nan 8.190 nan 0.000 0.442 992 S N 2.617 118.323 115.700 0.010 0.000 2.528 992 S HA 0.188 4.658 4.470 -0.000 0.000 0.277 992 S C 1.277 175.881 174.600 0.007 0.000 1.297 992 S CA -0.262 57.942 58.200 0.007 0.000 1.052 992 S CB 0.332 63.532 63.200 0.001 0.000 0.917 992 S HN 0.761 nan 8.310 nan 0.000 0.492 993 R N 2.703 123.207 120.500 0.007 0.000 2.119 993 R HA -0.157 4.183 4.340 -0.000 0.000 0.246 993 R C 2.088 178.387 176.300 -0.003 0.000 1.146 993 R CA 2.163 58.265 56.100 0.004 0.000 0.962 993 R CB -0.300 30.001 30.300 0.002 0.000 0.863 993 R HN 0.858 nan 8.270 nan 0.000 0.442 994 E N 1.058 121.255 120.200 -0.004 0.000 2.333 994 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 994 E C 1.054 177.650 176.600 -0.007 0.000 1.007 994 E CA 1.344 57.739 56.400 -0.007 0.000 0.845 994 E CB -0.173 29.523 29.700 -0.007 0.000 0.766 994 E HN 0.408 nan 8.360 nan 0.000 0.507 995 K N 0.070 120.468 120.400 -0.004 0.000 2.365 995 K HA 0.077 4.397 4.320 -0.000 0.000 0.199 995 K C 0.383 176.982 176.600 -0.002 0.000 1.045 995 K CA 0.332 56.617 56.287 -0.003 0.000 0.962 995 K CB 0.271 32.770 32.500 -0.002 0.000 0.759 995 K HN 0.151 nan 8.250 nan 0.000 0.469 996 I N 1.554 122.122 120.570 -0.003 0.000 2.362 996 I HA 0.136 4.306 4.170 -0.000 0.000 0.289 996 I C -0.270 175.837 176.117 -0.016 0.000 0.994 996 I CA -0.152 61.145 61.300 -0.004 0.000 1.158 996 I CB 1.601 39.602 38.000 0.002 0.000 1.315 996 I HN -0.196 nan 8.210 nan 0.000 0.451 997 T N 7.214 121.759 114.554 -0.015 0.000 2.792 997 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 997 T C 0.133 174.816 174.700 -0.027 0.000 0.990 997 T CA -0.498 61.588 62.100 -0.024 0.000 0.960 997 T CB 1.383 70.242 68.868 -0.014 0.000 0.939 997 T HN 0.254 nan 8.240 nan 0.000 0.439 998 L N 4.558 125.743 121.223 -0.062 0.000 2.281 998 L HA 0.356 4.696 4.340 -0.000 0.000 0.285 998 L C 1.142 178.003 176.870 -0.015 0.000 1.074 998 L CA -0.416 54.380 54.840 -0.074 0.000 0.817 998 L CB 0.628 42.529 42.059 -0.263 0.000 1.168 998 L HN 0.613 nan 8.230 nan 0.000 0.434 999 L N 3.627 124.873 121.223 0.039 0.000 2.221 999 L HA 0.201 4.541 4.340 -0.000 0.000 0.202 999 L C 0.867 177.787 176.870 0.084 0.000 1.074 999 L CA 0.549 55.418 54.840 0.048 0.000 0.795 999 L CB -0.042 42.042 42.059 0.042 0.000 0.960 999 L HN 0.723 nan 8.230 nan 0.000 0.458 1000 R N -0.711 119.875 120.500 0.144 0.000 2.741 1000 R HA 0.322 4.662 4.340 -0.000 0.000 0.276 1000 R C -1.376 175.050 176.300 0.210 0.000 1.028 1000 R CA -0.821 55.377 56.100 0.164 0.000 0.865 1000 R CB 1.090 31.441 30.300 0.086 0.000 1.268 1000 R HN -0.181 nan 8.270 nan 0.000 0.475 1001 E N 0.733 120.994 120.200 0.102 0.000 2.313 1001 E HA 0.184 4.534 4.350 -0.000 0.000 0.276 1001 E C 0.090 176.650 176.600 -0.067 0.000 1.031 1001 E CA -0.196 56.144 56.400 -0.100 0.000 0.857 1001 E CB 1.268 30.882 29.700 -0.143 0.000 1.040 1001 E HN 0.423 nan 8.360 nan 0.000 0.408 1002 L N 1.702 122.859 121.223 -0.110 0.000 2.609 1002 L HA 0.330 4.669 4.340 -0.000 0.000 0.230 1002 L C 0.810 177.645 176.870 -0.058 0.000 1.087 1002 L CA 0.118 54.929 54.840 -0.048 0.000 0.874 1002 L CB 0.480 42.527 42.059 -0.020 0.000 1.114 1002 L HN 0.750 nan 8.230 nan 0.000 0.488 1003 G N -0.009 108.725 108.800 -0.110 0.000 2.339 1003 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.381 1003 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.381 1003 G C -1.631 173.205 174.900 -0.107 0.000 1.400 1003 G CA -0.859 44.190 45.100 -0.085 0.000 1.002 1003 G HN -0.122 nan 8.290 nan 0.000 0.633 1004 Q N -0.061 119.691 119.800 -0.081 0.000 2.304 1004 Q HA 0.599 4.939 4.340 -0.000 0.000 0.260 1004 Q C 0.819 176.775 176.000 -0.073 0.000 0.965 1004 Q CA 1.099 56.855 55.803 -0.078 0.000 0.898 1004 Q CB 0.995 29.700 28.738 -0.056 0.000 1.196 1004 Q HN 1.193 nan 8.270 nan 0.000 0.402 1005 G N 1.057 109.810 108.800 -0.077 0.000 2.828 1005 G HA2 0.251 4.211 3.960 -0.000 0.000 0.244 1005 G HA3 0.251 4.211 3.960 -0.000 0.000 0.244 1005 G C 0.323 175.126 174.900 -0.161 0.000 1.365 1005 G CA -0.174 44.868 45.100 -0.097 0.000 1.041 1005 G HN 0.661 nan 8.290 nan 0.000 0.560 1006 S N -0.920 114.599 115.700 -0.302 0.000 2.356 1006 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 1006 S C 1.482 175.761 174.600 -0.535 0.000 1.032 1006 S CA 1.507 59.354 58.200 -0.587 0.000 1.005 1006 S CB -0.325 62.216 63.200 -1.099 0.000 0.867 1006 S HN 0.432 nan 8.310 nan 0.000 0.449 1007 F N 0.067 120.032 119.950 0.023 0.000 2.706 1007 F HA 0.478 5.005 4.527 -0.000 0.000 0.313 1007 F C 0.986 176.719 175.800 -0.111 0.000 1.096 1007 F CA -0.209 57.771 58.000 -0.033 0.000 1.219 1007 F CB 1.155 40.150 39.000 -0.008 0.000 1.051 1007 F HN 0.276 nan 8.300 nan 0.000 0.568 1008 G N 0.310 109.129 108.800 0.032 0.000 2.322 1008 G HA2 0.349 4.309 3.960 -0.000 0.000 0.295 1008 G HA3 0.349 4.309 3.960 -0.000 0.000 0.295 1008 G C -1.832 173.045 174.900 -0.039 0.000 1.369 1008 G CA -1.130 43.956 45.100 -0.023 0.000 0.821 1008 G HN -0.138 nan 8.290 nan 0.000 0.536 1009 M N 0.968 120.527 119.600 -0.069 0.000 2.252 1009 M HA 0.498 4.978 4.480 -0.000 0.000 0.348 1009 M C -0.225 175.939 176.300 -0.228 0.000 1.334 1009 M CA -0.130 55.043 55.300 -0.211 0.000 1.071 1009 M CB 0.687 33.072 32.600 -0.359 0.000 1.763 1009 M HN 0.344 nan 8.290 nan 0.000 0.452 1010 V N 7.516 127.283 119.914 -0.246 0.000 2.427 1010 V HA 0.415 4.534 4.120 -0.000 0.000 0.286 1010 V C -0.814 175.141 176.094 -0.232 0.000 1.034 1010 V CA -0.472 61.766 62.300 -0.103 0.000 0.893 1010 V CB 0.790 32.596 31.823 -0.028 0.000 0.982 1010 V HN 0.774 nan 8.190 nan 0.000 0.452 1011 Y N 1.585 121.908 120.300 0.039 0.000 2.549 1011 Y HA 0.522 5.072 4.550 -0.000 0.000 0.339 1011 Y C 0.301 176.217 175.900 0.027 0.000 1.053 1011 Y CA -1.033 57.086 58.100 0.030 0.000 1.105 1011 Y CB 1.438 39.916 38.460 0.029 0.000 1.258 1011 Y HN 0.648 nan 8.280 nan 0.000 0.478 1012 E N 0.845 121.162 120.200 0.194 0.000 2.197 1012 E HA 0.612 4.962 4.350 -0.000 0.000 0.281 1012 E C -0.564 176.101 176.600 0.108 0.000 0.995 1012 E CA -0.488 55.979 56.400 0.111 0.000 0.808 1012 E CB 0.905 30.646 29.700 0.069 0.000 1.093 1012 E HN 0.856 nan 8.360 nan 0.000 0.394 1013 G N 2.713 111.557 108.800 0.074 0.000 2.658 1013 G HA2 0.296 4.256 3.960 -0.000 0.000 0.292 1013 G HA3 0.296 4.256 3.960 -0.000 0.000 0.292 1013 G C -1.318 173.598 174.900 0.027 0.000 1.320 1013 G CA -0.887 44.241 45.100 0.046 0.000 0.933 1013 G HN 0.565 nan 8.290 nan 0.000 0.476 1014 N N -0.692 118.016 118.700 0.014 0.000 2.372 1014 N HA 0.636 5.376 4.740 -0.000 0.000 0.285 1014 N C -0.493 175.020 175.510 0.005 0.000 1.008 1014 N CA -0.337 52.717 53.050 0.007 0.000 0.880 1014 N CB 1.821 40.309 38.487 0.003 0.000 1.239 1014 N HN 0.702 nan 8.380 nan 0.000 0.484 1015 A N 3.412 126.235 122.820 0.005 0.000 2.304 1015 A HA 0.581 4.901 4.320 -0.000 0.000 0.314 1015 A C -0.252 177.331 177.584 -0.002 0.000 1.187 1015 A CA -0.706 51.333 52.037 0.004 0.000 0.810 1015 A CB 0.675 19.681 19.000 0.010 0.000 1.183 1015 A HN 0.696 nan 8.150 nan 0.000 0.487 1016 R N 2.284 122.782 120.500 -0.004 0.000 2.357 1016 R HA 0.303 4.643 4.340 -0.000 0.000 0.296 1016 R C -0.871 175.423 176.300 -0.010 0.000 1.052 1016 R CA -0.498 55.598 56.100 -0.008 0.000 0.988 1016 R CB 0.503 30.799 30.300 -0.008 0.000 1.025 1016 R HN 0.774 nan 8.270 nan 0.000 0.469 1017 D N 2.889 123.281 120.400 -0.013 0.000 2.886 1017 D HA -0.181 4.459 4.640 -0.000 0.000 0.221 1017 D C 0.708 176.996 176.300 -0.019 0.000 1.227 1017 D CA 1.100 55.090 54.000 -0.017 0.000 0.746 1017 D CB -0.671 40.119 40.800 -0.017 0.000 0.935 1017 D HN 0.643 nan 8.370 nan 0.000 0.399 1018 I N -3.365 117.194 120.570 -0.019 0.000 4.323 1018 I HA 0.239 4.409 4.170 -0.000 0.000 0.328 1018 I C 0.615 176.713 176.117 -0.033 0.000 1.310 1018 I CA -0.114 61.173 61.300 -0.021 0.000 1.186 1018 I CB 0.505 38.501 38.000 -0.007 0.000 1.130 1018 I HN -0.073 nan 8.210 nan 0.000 0.411 1019 I N 2.785 123.338 120.570 -0.029 0.000 2.439 1019 I HA 0.295 4.464 4.170 -0.000 0.000 0.283 1019 I C -0.143 175.954 176.117 -0.033 0.000 1.023 1019 I CA -0.678 60.602 61.300 -0.033 0.000 1.100 1019 I CB 1.712 39.699 38.000 -0.022 0.000 1.238 1019 I HN 0.071 nan 8.210 nan 0.000 0.445 1020 K N 4.516 124.892 120.400 -0.040 0.000 2.511 1020 K HA 0.113 4.433 4.320 -0.000 0.000 0.280 1020 K C 1.152 177.735 176.600 -0.028 0.000 1.008 1020 K CA 1.508 57.773 56.287 -0.035 0.000 1.050 1020 K CB 0.300 32.776 32.500 -0.041 0.000 0.889 1020 K HN 0.954 nan 8.250 nan 0.000 0.484 1021 G N 2.835 111.620 108.800 -0.024 0.000 2.195 1021 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 1021 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 1021 G C -0.106 174.783 174.900 -0.019 0.000 0.984 1021 G CA 0.332 45.420 45.100 -0.020 0.000 0.633 1021 G HN 0.632 nan 8.290 nan 0.000 0.525 1022 E N -0.041 120.148 120.200 -0.020 0.000 2.244 1022 E HA 0.690 5.040 4.350 -0.000 0.000 0.260 1022 E C 1.215 177.804 176.600 -0.018 0.000 0.884 1022 E CA 0.066 56.455 56.400 -0.019 0.000 0.777 1022 E CB 1.073 30.762 29.700 -0.019 0.000 1.197 1022 E HN 0.461 nan 8.360 nan 0.000 0.416 1023 A N 4.383 127.193 122.820 -0.016 0.000 1.940 1023 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 1023 A C 0.540 178.115 177.584 -0.014 0.000 1.176 1023 A CA 1.264 53.292 52.037 -0.015 0.000 0.631 1023 A CB 0.067 19.059 19.000 -0.013 0.000 0.814 1023 A HN 0.652 nan 8.150 nan 0.000 0.446 1024 E N -1.627 118.565 120.200 -0.014 0.000 2.308 1024 E HA 0.502 4.851 4.350 -0.000 0.000 0.275 1024 E C -1.584 175.008 176.600 -0.014 0.000 0.890 1024 E CA -0.468 55.925 56.400 -0.012 0.000 0.754 1024 E CB 2.239 31.933 29.700 -0.011 0.000 1.207 1024 E HN 0.124 nan 8.360 nan 0.000 0.426 1025 T N 2.130 116.678 114.554 -0.010 0.000 2.881 1025 T HA 0.389 4.739 4.350 -0.000 0.000 0.290 1025 T C -0.556 174.141 174.700 -0.005 0.000 1.000 1025 T CA -0.985 61.110 62.100 -0.010 0.000 0.978 1025 T CB 1.074 69.938 68.868 -0.006 0.000 0.997 1025 T HN 0.107 nan 8.240 nan 0.000 0.443 1026 R N 2.203 122.697 120.500 -0.010 0.000 2.390 1026 R HA 0.625 4.965 4.340 -0.000 0.000 0.291 1026 R C 0.137 176.440 176.300 0.005 0.000 1.070 1026 R CA -0.312 55.785 56.100 -0.004 0.000 1.014 1026 R CB 0.751 31.042 30.300 -0.015 0.000 1.007 1026 R HN 0.639 nan 8.270 nan 0.000 0.466 1027 V N -1.536 118.390 119.914 0.019 0.000 3.156 1027 V HA 0.934 5.054 4.120 -0.000 0.000 0.310 1027 V C -0.744 175.377 176.094 0.046 0.000 1.234 1027 V CA -1.331 60.988 62.300 0.031 0.000 1.065 1027 V CB 2.083 33.928 31.823 0.038 0.000 1.088 1027 V HN 0.710 nan 8.190 nan 0.000 0.451 1028 A N 0.533 123.387 122.820 0.056 0.000 2.318 1028 A HA 0.880 5.200 4.320 -0.000 0.000 0.324 1028 A C -0.807 176.835 177.584 0.097 0.000 1.170 1028 A CA -0.663 51.419 52.037 0.074 0.000 0.810 1028 A CB 1.478 20.514 19.000 0.060 0.000 1.198 1028 A HN 1.420 nan 8.150 nan 0.000 0.484 1029 V N 3.231 123.229 119.914 0.139 0.000 2.444 1029 V HA 0.348 4.468 4.120 -0.000 0.000 0.294 1029 V C -0.121 176.114 176.094 0.234 0.000 1.022 1029 V CA -0.679 61.721 62.300 0.167 0.000 0.850 1029 V CB 1.546 33.461 31.823 0.153 0.000 0.992 1029 V HN 0.902 nan 8.190 nan 0.000 0.426 1030 K N 2.896 123.438 120.400 0.237 0.000 2.130 1030 K HA 0.745 5.065 4.320 -0.000 0.000 0.268 1030 K C 0.044 176.906 176.600 0.436 0.000 0.983 1030 K CA -0.422 56.058 56.287 0.321 0.000 0.893 1030 K CB 2.018 34.727 32.500 0.349 0.000 1.066 1030 K HN 0.904 nan 8.250 nan 0.000 0.450 1031 T N -2.232 112.510 114.554 0.313 0.000 2.864 1031 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 1031 T C -1.028 173.489 174.700 -0.305 0.000 1.082 1031 T CA -0.850 61.313 62.100 0.104 0.000 1.009 1031 T CB 1.589 70.569 68.868 0.187 0.000 1.234 1031 T HN 0.269 nan 8.240 nan 0.000 0.526 1032 V N 1.679 121.286 119.914 -0.512 0.000 2.495 1032 V HA 0.480 4.600 4.120 -0.000 0.000 0.298 1032 V C -0.489 175.482 176.094 -0.205 0.000 1.031 1032 V CA -0.998 60.990 62.300 -0.521 0.000 0.871 1032 V CB 1.488 32.821 31.823 -0.816 0.000 0.988 1032 V HN 0.966 nan 8.190 nan 0.000 0.432 1033 N N 4.332 122.965 118.700 -0.112 0.000 2.381 1033 N HA 0.128 4.868 4.740 -0.000 0.000 0.241 1033 N C 1.275 176.752 175.510 -0.055 0.000 1.279 1033 N CA 0.714 53.734 53.050 -0.051 0.000 0.896 1033 N CB 0.956 39.430 38.487 -0.022 0.000 1.118 1033 N HN 0.900 nan 8.380 nan 0.000 0.438 1034 E N 0.059 120.240 120.200 -0.030 0.000 2.204 1034 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 1034 E C 1.600 178.183 176.600 -0.027 0.000 0.989 1034 E CA 1.535 57.918 56.400 -0.028 0.000 0.824 1034 E CB -0.590 29.102 29.700 -0.013 0.000 0.756 1034 E HN 0.648 nan 8.360 nan 0.000 0.477 1035 S N -0.656 115.031 115.700 -0.021 0.000 2.631 1035 S HA 0.584 5.053 4.470 -0.000 0.000 0.217 1035 S C 1.247 175.833 174.600 -0.023 0.000 0.958 1035 S CA 0.263 58.453 58.200 -0.017 0.000 0.920 1035 S CB -0.170 63.026 63.200 -0.006 0.000 0.776 1035 S HN 0.860 nan 8.310 nan 0.000 0.517 1036 A N 2.696 125.491 122.820 -0.040 0.000 2.546 1036 A HA 0.487 4.806 4.320 -0.000 0.000 0.243 1036 A C 0.915 178.461 177.584 -0.064 0.000 1.063 1036 A CA -0.002 52.000 52.037 -0.058 0.000 0.757 1036 A CB -0.154 18.784 19.000 -0.104 0.000 0.991 1036 A HN 0.750 nan 8.150 nan 0.000 0.503 1037 S N 2.377 118.040 115.700 -0.062 0.000 2.626 1037 S HA 0.248 4.718 4.470 -0.000 0.000 0.257 1037 S C 1.164 175.716 174.600 -0.080 0.000 1.288 1037 S CA 0.093 58.259 58.200 -0.057 0.000 0.980 1037 S CB 0.269 63.443 63.200 -0.043 0.000 0.975 1037 S HN 1.115 nan 8.310 nan 0.000 0.577 1038 L N 0.953 122.139 121.223 -0.062 0.000 1.994 1038 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 1038 L C 2.856 179.671 176.870 -0.091 0.000 1.071 1038 L CA 2.063 56.865 54.840 -0.064 0.000 0.745 1038 L CB -0.987 41.047 42.059 -0.043 0.000 0.892 1038 L HN 0.903 nan 8.230 nan 0.000 0.431 1039 R N -0.467 119.980 120.500 -0.088 0.000 2.096 1039 R HA -0.220 4.120 4.340 -0.000 0.000 0.240 1039 R C 2.190 178.363 176.300 -0.211 0.000 1.139 1039 R CA 2.151 58.186 56.100 -0.108 0.000 0.952 1039 R CB -0.287 29.971 30.300 -0.070 0.000 0.854 1039 R HN 0.564 nan 8.270 nan 0.000 0.436 1040 E N -0.332 119.707 120.200 -0.268 0.000 2.077 1040 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 1040 E C 2.241 178.465 176.600 -0.626 0.000 0.989 1040 E CA 1.217 57.267 56.400 -0.582 0.000 0.800 1040 E CB 0.008 29.489 29.700 -0.365 0.000 0.746 1040 E HN 0.339 nan 8.360 nan 0.000 0.452 1041 R N 0.356 120.677 120.500 -0.297 0.000 2.096 1041 R HA -0.085 4.254 4.340 -0.000 0.000 0.235 1041 R C 2.348 178.596 176.300 -0.087 0.000 1.127 1041 R CA 0.990 56.998 56.100 -0.153 0.000 0.968 1041 R CB -0.211 30.038 30.300 -0.085 0.000 0.861 1041 R HN 0.213 nan 8.270 nan 0.000 0.440 1042 I N 0.731 121.223 120.570 -0.130 0.000 2.252 1042 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 1042 I C 1.856 177.914 176.117 -0.099 0.000 1.102 1042 I CA 1.450 62.696 61.300 -0.090 0.000 1.385 1042 I CB -0.220 37.731 38.000 -0.082 0.000 1.064 1042 I HN 0.239 nan 8.210 nan 0.000 0.414 1043 E N 0.339 120.425 120.200 -0.190 0.000 2.107 1043 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 1043 E C 2.029 178.663 176.600 0.057 0.000 0.982 1043 E CA 0.968 57.311 56.400 -0.095 0.000 0.809 1043 E CB -0.160 29.479 29.700 -0.103 0.000 0.756 1043 E HN 0.388 nan 8.360 nan 0.000 0.459 1044 F N 1.787 121.602 119.950 -0.224 0.000 2.095 1044 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 1044 F C 1.857 177.683 175.800 0.044 0.000 1.104 1044 F CA 1.421 59.480 58.000 0.099 0.000 1.232 1044 F CB -0.169 38.847 39.000 0.027 0.000 0.987 1044 F HN -0.097 nan 8.300 nan 0.000 0.475 1045 L N 0.015 121.194 121.223 -0.072 0.000 2.093 1045 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 1045 L C 2.207 178.962 176.870 -0.193 0.000 1.085 1045 L CA 1.513 56.239 54.840 -0.189 0.000 0.755 1045 L CB -0.907 41.122 42.059 -0.050 0.000 0.904 1045 L HN 0.242 nan 8.230 nan 0.000 0.435 1046 N N 0.534 119.160 118.700 -0.123 0.000 2.166 1046 N HA -0.267 4.473 4.740 -0.000 0.000 0.186 1046 N C 1.809 177.213 175.510 -0.177 0.000 1.019 1046 N CA 1.442 54.416 53.050 -0.127 0.000 0.856 1046 N CB 0.032 38.475 38.487 -0.073 0.000 0.993 1046 N HN 0.324 nan 8.380 nan 0.000 0.426 1047 E N -0.479 119.643 120.200 -0.131 0.000 2.118 1047 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 1047 E C 1.733 178.172 176.600 -0.269 0.000 0.992 1047 E CA 1.226 57.549 56.400 -0.129 0.000 0.804 1047 E CB -0.248 29.457 29.700 0.008 0.000 0.741 1047 E HN 0.473 nan 8.360 nan 0.000 0.458 1048 A N 0.462 123.087 122.820 -0.324 0.000 1.898 1048 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 1048 A C 2.354 179.673 177.584 -0.442 0.000 1.181 1048 A CA 1.714 53.526 52.037 -0.374 0.000 0.620 1048 A CB -0.816 17.962 19.000 -0.370 0.000 0.819 1048 A HN 0.347 nan 8.150 nan 0.000 0.442 1049 S N -0.336 115.137 115.700 -0.378 0.000 2.368 1049 S HA -0.147 4.322 4.470 -0.000 0.000 0.225 1049 S C 2.057 176.364 174.600 -0.487 0.000 1.030 1049 S CA 2.044 60.013 58.200 -0.384 0.000 0.999 1049 S CB -0.750 62.297 63.200 -0.256 0.000 0.844 1049 S HN 0.943 nan 8.310 nan 0.000 0.459 1050 V N 0.018 119.613 119.914 -0.531 0.000 2.453 1050 V HA -0.021 4.099 4.120 -0.000 0.000 0.247 1050 V C 2.216 177.539 176.094 -1.285 0.000 1.048 1050 V CA 1.837 63.666 62.300 -0.786 0.000 1.049 1050 V CB -0.974 30.354 31.823 -0.824 0.000 0.672 1050 V HN 0.477 nan 8.190 nan 0.000 0.457 1051 M N -0.021 118.950 119.600 -1.048 0.000 2.358 1051 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 1051 M C 2.239 178.025 176.300 -0.857 0.000 1.064 1051 M CA 1.711 56.398 55.300 -1.023 0.000 1.093 1051 M CB -0.504 31.774 32.600 -0.536 0.000 1.401 1051 M HN 0.328 nan 8.290 nan 0.000 0.440 1052 K N 0.153 120.015 120.400 -0.895 0.000 2.160 1052 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 1052 K C 1.763 178.101 176.600 -0.437 0.000 1.047 1052 K CA 1.261 56.966 56.287 -0.970 0.000 0.930 1052 K CB -0.369 31.515 32.500 -1.026 0.000 0.720 1052 K HN 0.457 nan 8.250 nan 0.000 0.450 1053 G N 0.031 108.533 108.800 -0.496 0.000 3.284 1053 G HA2 0.065 4.025 3.960 -0.000 0.000 0.236 1053 G HA3 0.065 4.025 3.960 -0.000 0.000 0.236 1053 G C -0.236 174.696 174.900 0.053 0.000 1.158 1053 G CA -0.316 44.666 45.100 -0.197 0.000 0.774 1053 G HN -0.040 nan 8.290 nan 0.000 0.545 1054 F N 0.578 120.517 119.950 -0.018 0.000 2.421 1054 F HA 0.596 5.123 4.527 -0.000 0.000 0.337 1054 F C 0.247 176.086 175.800 0.065 0.000 1.105 1054 F CA -1.538 56.518 58.000 0.094 0.000 1.049 1054 F CB 2.015 41.008 39.000 -0.011 0.000 1.139 1054 F HN -0.292 nan 8.300 nan 0.000 0.479 1055 T N 2.078 116.776 114.554 0.240 0.000 3.160 1055 T HA 0.374 4.724 4.350 -0.000 0.000 0.344 1055 T C -1.446 173.063 174.700 -0.319 0.000 0.981 1055 T CA -0.423 61.688 62.100 0.019 0.000 1.170 1055 T CB 0.632 69.553 68.868 0.088 0.000 1.016 1055 T HN 0.763 nan 8.240 nan 0.000 0.492 1056 C N 2.831 121.909 119.300 -0.370 0.000 2.811 1056 C HA 0.481 4.941 4.460 -0.000 0.000 0.352 1056 C C 1.504 176.352 174.990 -0.236 0.000 1.098 1056 C CA -0.487 58.229 59.018 -0.503 0.000 1.295 1056 C CB 0.609 27.729 27.740 -1.034 0.000 1.758 1056 C HN 1.095 nan 8.230 nan 0.000 0.488 1057 H N 1.764 120.647 119.070 -0.312 0.000 2.422 1057 H HA -0.069 4.486 4.556 -0.000 0.000 0.298 1057 H C 1.007 176.090 175.328 -0.408 0.000 1.098 1057 H CA 2.397 58.222 56.048 -0.372 0.000 1.315 1057 H CB 0.018 29.470 29.762 -0.517 0.000 1.382 1057 H HN 0.858 nan 8.280 nan 0.000 0.523 1058 H N -1.216 117.830 119.070 -0.041 0.000 2.550 1058 H HA 0.385 4.941 4.556 -0.000 0.000 0.304 1058 H C -0.821 174.489 175.328 -0.029 0.000 1.086 1058 H CA -0.220 55.808 56.048 -0.033 0.000 1.089 1058 H CB 0.484 30.284 29.762 0.063 0.000 1.528 1058 H HN -0.006 nan 8.280 nan 0.000 0.539 1059 V N 1.318 121.237 119.914 0.008 0.000 2.569 1059 V HA 0.094 4.214 4.120 -0.000 0.000 0.301 1059 V C 0.016 176.158 176.094 0.080 0.000 1.044 1059 V CA -1.078 61.279 62.300 0.096 0.000 0.874 1059 V CB 2.349 34.224 31.823 0.087 0.000 1.002 1059 V HN 0.041 nan 8.190 nan 0.000 0.424 1060 V N 4.917 124.912 119.914 0.136 0.000 2.720 1060 V HA 0.053 4.173 4.120 -0.000 0.000 0.307 1060 V C 0.773 176.934 176.094 0.111 0.000 1.071 1060 V CA 0.365 62.725 62.300 0.100 0.000 1.199 1060 V CB 0.417 32.313 31.823 0.121 0.000 0.900 1060 V HN 0.883 nan 8.190 nan 0.000 0.494 1061 R N 3.758 124.298 120.500 0.066 0.000 2.404 1061 R HA 0.514 4.854 4.340 -0.000 0.000 0.291 1061 R C -0.687 175.662 176.300 0.082 0.000 1.025 1061 R CA -0.836 55.310 56.100 0.077 0.000 0.991 1061 R CB 1.082 31.421 30.300 0.064 0.000 1.053 1061 R HN 0.599 nan 8.270 nan 0.000 0.479 1062 L N 4.860 126.129 121.223 0.077 0.000 2.350 1062 L HA 0.234 4.574 4.340 -0.000 0.000 0.275 1062 L C -0.127 176.886 176.870 0.238 0.000 1.099 1062 L CA 0.262 55.141 54.840 0.064 0.000 0.808 1062 L CB 1.240 43.211 42.059 -0.146 0.000 1.149 1062 L HN 0.838 nan 8.230 nan 0.000 0.442 1063 L N 3.731 125.079 121.223 0.209 0.000 2.609 1063 L HA 0.569 4.909 4.340 -0.000 0.000 0.230 1063 L C 0.833 177.872 176.870 0.281 0.000 1.064 1063 L CA 0.387 55.359 54.840 0.220 0.000 0.873 1063 L CB 0.254 42.378 42.059 0.109 0.000 1.139 1063 L HN 0.860 nan 8.230 nan 0.000 0.490 1064 G N -0.594 108.372 108.800 0.277 0.000 2.313 1064 G HA2 0.407 4.367 3.960 -0.000 0.000 0.296 1064 G HA3 0.407 4.367 3.960 -0.000 0.000 0.296 1064 G C -2.039 172.950 174.900 0.147 0.000 1.356 1064 G CA -0.506 44.762 45.100 0.280 0.000 0.833 1064 G HN -0.294 nan 8.290 nan 0.000 0.552 1065 V N -0.565 119.426 119.914 0.129 0.000 2.841 1065 V HA 0.616 4.736 4.120 -0.000 0.000 0.310 1065 V C -0.362 175.769 176.094 0.061 0.000 1.090 1065 V CA -0.748 61.590 62.300 0.064 0.000 0.930 1065 V CB 2.041 33.876 31.823 0.019 0.000 1.014 1065 V HN 0.849 nan 8.190 nan 0.000 0.425 1066 V N 3.353 123.299 119.914 0.054 0.000 2.259 1066 V HA 0.244 4.364 4.120 -0.000 0.000 0.267 1066 V C 1.009 177.132 176.094 0.049 0.000 1.051 1066 V CA 0.416 62.744 62.300 0.047 0.000 0.830 1066 V CB 0.861 32.710 31.823 0.044 0.000 1.080 1066 V HN 1.078 nan 8.190 nan 0.000 0.467 1067 S N 2.282 118.007 115.700 0.041 0.000 2.524 1067 S HA 0.161 4.630 4.470 -0.000 0.000 0.215 1067 S C 0.783 175.402 174.600 0.031 0.000 0.986 1067 S CA -0.220 58.003 58.200 0.038 0.000 0.911 1067 S CB -0.005 63.211 63.200 0.027 0.000 0.805 1067 S HN 0.576 nan 8.310 nan 0.000 0.501 1068 K N 2.202 122.618 120.400 0.027 0.000 2.292 1068 K HA 0.471 4.791 4.320 -0.000 0.000 0.290 1068 K C 0.677 177.288 176.600 0.018 0.000 1.083 1068 K CA 0.661 56.960 56.287 0.020 0.000 0.918 1068 K CB -0.395 32.114 32.500 0.016 0.000 1.089 1068 K HN 0.476 nan 8.250 nan 0.000 0.473 1069 G N 2.318 111.129 108.800 0.017 0.000 2.760 1069 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 1069 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 1069 G C -1.220 173.692 174.900 0.020 0.000 1.359 1069 G CA -0.836 44.273 45.100 0.014 0.000 0.861 1069 G HN 0.517 nan 8.290 nan 0.000 0.541 1070 Q N 0.174 119.983 119.800 0.014 0.000 2.301 1070 Q HA 0.640 4.980 4.340 -0.000 0.000 0.267 1070 Q C -1.771 174.234 176.000 0.008 0.000 1.035 1070 Q CA -1.337 54.476 55.803 0.016 0.000 0.856 1070 Q CB 1.849 30.593 28.738 0.010 0.000 1.337 1070 Q HN 0.693 nan 8.270 nan 0.000 0.450 1071 P HA 0.234 nan 4.420 nan 0.000 0.279 1071 P C -0.697 176.636 177.300 0.055 0.000 1.252 1071 P CA -0.361 62.752 63.100 0.022 0.000 0.811 1071 P CB 0.722 32.427 31.700 0.009 0.000 1.035 1072 T N 2.047 116.657 114.554 0.094 0.000 2.901 1072 T HA 0.336 4.685 4.350 -0.000 0.000 0.301 1072 T C 0.243 175.079 174.700 0.226 0.000 1.012 1072 T CA -0.004 62.193 62.100 0.162 0.000 1.135 1072 T CB -0.075 68.942 68.868 0.249 0.000 0.936 1072 T HN 0.206 nan 8.240 nan 0.000 0.539 1073 L N 3.000 124.329 121.223 0.178 0.000 2.385 1073 L HA 0.602 4.942 4.340 -0.000 0.000 0.273 1073 L C -0.651 176.299 176.870 0.133 0.000 0.990 1073 L CA -1.215 53.735 54.840 0.183 0.000 0.821 1073 L CB 1.998 44.119 42.059 0.103 0.000 1.279 1073 L HN 0.314 nan 8.230 nan 0.000 0.412 1074 V N 3.937 123.938 119.914 0.144 0.000 2.313 1074 V HA 0.291 4.411 4.120 -0.000 0.000 0.278 1074 V C 0.074 176.206 176.094 0.063 0.000 1.017 1074 V CA -0.585 61.727 62.300 0.019 0.000 0.823 1074 V CB 1.835 33.578 31.823 -0.133 0.000 1.010 1074 V HN 0.442 nan 8.190 nan 0.000 0.443 1075 V N 7.127 127.076 119.914 0.058 0.000 2.406 1075 V HA 0.512 4.632 4.120 -0.000 0.000 0.272 1075 V C 0.173 176.308 176.094 0.068 0.000 1.043 1075 V CA -0.092 62.251 62.300 0.071 0.000 0.915 1075 V CB 1.123 32.989 31.823 0.071 0.000 0.988 1075 V HN 0.812 nan 8.190 nan 0.000 0.466 1076 M N 3.180 122.820 119.600 0.067 0.000 2.690 1076 M HA 0.495 4.975 4.480 -0.000 0.000 0.302 1076 M C -0.045 176.288 176.300 0.055 0.000 1.234 1076 M CA -0.808 54.530 55.300 0.063 0.000 0.853 1076 M CB 2.289 34.925 32.600 0.061 0.000 1.748 1076 M HN 0.791 nan 8.290 nan 0.000 0.469 1077 E N 1.114 121.344 120.200 0.050 0.000 2.437 1077 E HA 0.216 4.565 4.350 -0.000 0.000 0.263 1077 E C -1.143 175.473 176.600 0.027 0.000 1.030 1077 E CA -0.510 55.910 56.400 0.034 0.000 0.934 1077 E CB 0.726 30.442 29.700 0.025 0.000 0.943 1077 E HN 0.454 nan 8.360 nan 0.000 0.444 1078 L N 3.736 124.969 121.223 0.016 0.000 2.281 1078 L HA 0.206 4.546 4.340 -0.000 0.000 0.285 1078 L C -0.663 176.204 176.870 -0.005 0.000 1.074 1078 L CA -0.197 54.647 54.840 0.008 0.000 0.817 1078 L CB 1.004 43.063 42.059 -0.001 0.000 1.168 1078 L HN 0.646 nan 8.230 nan 0.000 0.434 1079 M N 5.493 125.089 119.600 -0.008 0.000 2.069 1079 M HA 0.255 4.735 4.480 -0.000 0.000 0.349 1079 M C 1.326 177.594 176.300 -0.052 0.000 1.194 1079 M CA -0.151 55.136 55.300 -0.022 0.000 1.081 1079 M CB 0.477 33.069 32.600 -0.012 0.000 1.500 1079 M HN 0.844 nan 8.290 nan 0.000 0.438 1080 A N 3.143 125.903 122.820 -0.101 0.000 1.940 1080 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 1080 A C 1.452 178.836 177.584 -0.333 0.000 1.190 1080 A CA 1.842 53.740 52.037 -0.232 0.000 0.647 1080 A CB -0.640 18.169 19.000 -0.317 0.000 0.821 1080 A HN 0.812 nan 8.150 nan 0.000 0.457 1081 H N -0.789 118.249 119.070 -0.053 0.000 2.505 1081 H HA 0.364 4.920 4.556 -0.000 0.000 0.289 1081 H C 1.478 176.827 175.328 0.035 0.000 1.052 1081 H CA 0.470 56.514 56.048 -0.008 0.000 1.156 1081 H CB -0.634 29.057 29.762 -0.119 0.000 1.507 1081 H HN 0.726 nan 8.280 nan 0.000 0.548 1082 G N 2.024 110.872 108.800 0.080 0.000 2.645 1082 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.246 1082 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.246 1082 G C -0.117 174.828 174.900 0.076 0.000 1.322 1082 G CA -0.068 45.079 45.100 0.078 0.000 0.898 1082 G HN 0.522 nan 8.290 nan 0.000 0.573 1083 D N 0.065 120.510 120.400 0.074 0.000 2.341 1083 D HA 0.279 4.919 4.640 -0.000 0.000 0.245 1083 D C 1.728 178.098 176.300 0.116 0.000 1.106 1083 D CA -0.262 53.775 54.000 0.061 0.000 0.905 1083 D CB 1.650 42.466 40.800 0.028 0.000 1.202 1083 D HN 0.512 nan 8.370 nan 0.000 0.426 1084 L N 2.590 123.873 121.223 0.101 0.000 2.089 1084 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 1084 L C 2.491 179.469 176.870 0.179 0.000 1.079 1084 L CA 1.998 56.935 54.840 0.162 0.000 0.758 1084 L CB -0.805 41.319 42.059 0.109 0.000 0.891 1084 L HN 0.650 nan 8.230 nan 0.000 0.433 1085 K N -1.266 119.205 120.400 0.118 0.000 2.002 1085 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 1085 K C 2.067 178.725 176.600 0.096 0.000 1.048 1085 K CA 1.769 58.120 56.287 0.106 0.000 0.930 1085 K CB -0.187 32.366 32.500 0.088 0.000 0.714 1085 K HN 0.374 nan 8.250 nan 0.000 0.438 1086 S N 0.218 115.978 115.700 0.099 0.000 2.356 1086 S HA -0.189 4.281 4.470 -0.000 0.000 0.223 1086 S C 1.671 176.337 174.600 0.109 0.000 1.032 1086 S CA 1.430 59.684 58.200 0.089 0.000 1.005 1086 S CB -0.602 62.651 63.200 0.089 0.000 0.867 1086 S HN 0.457 nan 8.310 nan 0.000 0.449 1087 Y N 2.403 122.734 120.300 0.052 0.000 2.114 1087 Y HA -0.171 4.379 4.550 -0.000 0.000 0.282 1087 Y C 1.891 177.804 175.900 0.021 0.000 1.165 1087 Y CA 1.336 59.471 58.100 0.058 0.000 1.148 1087 Y CB -0.633 37.876 38.460 0.083 0.000 0.972 1087 Y HN 0.144 nan 8.280 nan 0.000 0.504 1088 L N -0.175 120.996 121.223 -0.088 0.000 2.012 1088 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 1088 L C 2.717 179.482 176.870 -0.176 0.000 1.073 1088 L CA 1.744 56.471 54.840 -0.187 0.000 0.748 1088 L CB -0.532 41.508 42.059 -0.030 0.000 0.891 1088 L HN 0.149 nan 8.230 nan 0.000 0.431 1089 R N -0.240 120.210 120.500 -0.083 0.000 2.092 1089 R HA -0.125 4.214 4.340 -0.000 0.000 0.231 1089 R C 2.480 178.728 176.300 -0.086 0.000 1.119 1089 R CA 1.561 57.623 56.100 -0.064 0.000 0.970 1089 R CB -0.370 29.923 30.300 -0.013 0.000 0.864 1089 R HN 0.464 nan 8.270 nan 0.000 0.440 1090 S N 0.395 116.036 115.700 -0.098 0.000 2.547 1090 S HA -0.019 4.451 4.470 -0.000 0.000 0.235 1090 S C 1.685 176.200 174.600 -0.142 0.000 0.980 1090 S CA 0.679 58.827 58.200 -0.086 0.000 0.941 1090 S CB -0.107 63.070 63.200 -0.039 0.000 0.763 1090 S HN 0.256 nan 8.310 nan 0.000 0.532 1091 L N 0.241 121.329 121.223 -0.225 0.000 2.592 1091 L HA 0.284 4.624 4.340 -0.000 0.000 0.227 1091 L C 1.073 177.847 176.870 -0.159 0.000 1.127 1091 L CA -0.224 54.473 54.840 -0.238 0.000 0.884 1091 L CB -0.035 41.800 42.059 -0.372 0.000 1.065 1091 L HN 0.133 nan 8.230 nan 0.000 0.457 1092 R N 1.146 121.571 120.500 -0.124 0.000 2.594 1092 R HA 0.055 4.394 4.340 -0.000 0.000 0.272 1092 R C -1.129 175.126 176.300 -0.074 0.000 1.074 1092 R CA -1.245 54.799 56.100 -0.094 0.000 1.105 1092 R CB 0.359 30.615 30.300 -0.074 0.000 1.008 1092 R HN -0.131 nan 8.270 nan 0.000 0.472 1093 P HA -0.174 nan 4.420 nan 0.000 0.218 1093 P C -0.195 177.082 177.300 -0.039 0.000 1.148 1093 P CA 1.473 64.542 63.100 -0.051 0.000 0.822 1093 P CB 0.270 31.942 31.700 -0.047 0.000 0.784 1094 E N -0.115 120.063 120.200 -0.037 0.000 2.476 1094 E HA 0.322 4.672 4.350 -0.000 0.000 0.191 1094 E C 0.844 177.430 176.600 -0.023 0.000 1.064 1094 E CA -0.224 56.160 56.400 -0.026 0.000 0.866 1094 E CB -0.679 29.007 29.700 -0.023 0.000 0.952 1094 E HN 0.219 nan 8.360 nan 0.000 0.492 1095 A N 0.953 123.755 122.820 -0.030 0.000 2.445 1095 A HA 0.441 4.761 4.320 -0.000 0.000 0.242 1095 A C 1.323 178.899 177.584 -0.014 0.000 1.075 1095 A CA 0.429 52.451 52.037 -0.025 0.000 0.777 1095 A CB 0.151 19.128 19.000 -0.038 0.000 1.013 1095 A HN 0.347 nan 8.150 nan 0.000 0.493 1096 E N 1.070 121.266 120.200 -0.006 0.000 2.415 1096 E HA -0.039 4.311 4.350 -0.000 0.000 0.197 1096 E C 0.680 177.284 176.600 0.007 0.000 1.007 1096 E CA 0.682 57.082 56.400 0.001 0.000 0.890 1096 E CB -0.295 29.407 29.700 0.004 0.000 0.891 1096 E HN 0.848 nan 8.360 nan 0.000 0.496 1097 N N 0.653 119.358 118.700 0.009 0.000 2.389 1097 N HA 0.010 4.750 4.740 -0.000 0.000 0.260 1097 N C -0.313 175.211 175.510 0.023 0.000 1.191 1097 N CA -0.484 52.579 53.050 0.021 0.000 0.885 1097 N CB -0.414 38.090 38.487 0.029 0.000 1.162 1097 N HN 0.155 nan 8.380 nan 0.000 0.512 1098 N N 2.710 121.414 118.700 0.007 0.000 2.357 1098 N HA -0.020 4.720 4.740 -0.000 0.000 0.257 1098 N C -1.441 174.088 175.510 0.031 0.000 1.250 1098 N CA -0.423 52.626 53.050 -0.002 0.000 0.862 1098 N CB 1.003 39.480 38.487 -0.015 0.000 1.066 1098 N HN 0.214 nan 8.380 nan 0.000 0.468 1099 P HA 0.131 nan 4.420 nan 0.000 0.255 1099 P C 0.212 177.572 177.300 0.101 0.000 1.357 1099 P CA 0.090 63.259 63.100 0.115 0.000 0.839 1099 P CB -0.275 31.548 31.700 0.205 0.000 1.356 1100 G N 0.602 109.433 108.800 0.051 0.000 2.295 1100 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 1100 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 1100 G C -0.040 174.884 174.900 0.039 0.000 1.055 1100 G CA -0.147 44.979 45.100 0.043 0.000 0.922 1100 G HN 0.551 nan 8.290 nan 0.000 0.503 1101 R N -0.157 120.347 120.500 0.006 0.000 2.626 1101 R HA 0.532 4.872 4.340 -0.000 0.000 0.274 1101 R C -2.513 173.736 176.300 -0.084 0.000 1.031 1101 R CA -1.615 54.468 56.100 -0.028 0.000 0.898 1101 R CB 2.535 32.821 30.300 -0.023 0.000 1.222 1101 R HN 0.153 nan 8.270 nan 0.000 0.455 1102 P HA 0.358 nan 4.420 nan 0.000 0.277 1102 P C -2.697 174.512 177.300 -0.151 0.000 1.271 1102 P CA -1.502 61.534 63.100 -0.107 0.000 0.795 1102 P CB 0.104 31.754 31.700 -0.082 0.000 1.101 1103 P HA 0.212 nan 4.420 nan 0.000 0.271 1103 P C -2.310 174.901 177.300 -0.147 0.000 1.233 1103 P CA -0.864 62.138 63.100 -0.163 0.000 0.789 1103 P CB -1.373 30.245 31.700 -0.137 0.000 0.951 1104 P HA 0.059 nan 4.420 nan 0.000 0.267 1104 P C -0.027 177.217 177.300 -0.094 0.000 1.205 1104 P CA 0.119 63.153 63.100 -0.110 0.000 0.765 1104 P CB -0.051 31.602 31.700 -0.078 0.000 0.828 1105 T N 0.480 114.984 114.554 -0.083 0.000 2.788 1105 T HA 0.118 4.468 4.350 -0.000 0.000 0.280 1105 T C 1.124 175.787 174.700 -0.061 0.000 0.984 1105 T CA -0.685 61.375 62.100 -0.068 0.000 0.972 1105 T CB 0.321 69.156 68.868 -0.056 0.000 1.039 1105 T HN 0.173 nan 8.240 nan 0.000 0.530 1106 L N 1.311 122.500 121.223 -0.056 0.000 2.012 1106 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 1106 L C 3.155 179.996 176.870 -0.048 0.000 1.073 1106 L CA 2.822 57.629 54.840 -0.055 0.000 0.748 1106 L CB -1.797 40.232 42.059 -0.050 0.000 0.891 1106 L HN 0.943 nan 8.230 nan 0.000 0.431 1107 Q N -0.362 119.415 119.800 -0.039 0.000 2.135 1107 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 1107 Q C 2.141 178.127 176.000 -0.023 0.000 0.981 1107 Q CA 2.075 57.860 55.803 -0.030 0.000 0.856 1107 Q CB -1.053 27.674 28.738 -0.018 0.000 0.902 1107 Q HN 0.797 nan 8.270 nan 0.000 0.425 1108 E N -0.449 119.734 120.200 -0.027 0.000 2.107 1108 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 1108 E C 2.279 178.865 176.600 -0.023 0.000 0.982 1108 E CA 1.087 57.474 56.400 -0.021 0.000 0.809 1108 E CB -0.121 29.551 29.700 -0.046 0.000 0.756 1108 E HN 0.684 nan 8.360 nan 0.000 0.459 1109 M N 0.478 120.053 119.600 -0.041 0.000 2.086 1109 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 1109 M C 2.221 178.493 176.300 -0.047 0.000 1.067 1109 M CA 1.155 56.425 55.300 -0.049 0.000 1.116 1109 M CB -0.232 32.326 32.600 -0.069 0.000 1.348 1109 M HN 0.131 nan 8.290 nan 0.000 0.407 1110 I N 0.266 120.806 120.570 -0.050 0.000 2.226 1110 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 1110 I C 2.494 178.574 176.117 -0.062 0.000 1.100 1110 I CA 1.621 62.887 61.300 -0.057 0.000 1.374 1110 I CB -1.361 36.599 38.000 -0.067 0.000 1.057 1110 I HN 0.361 nan 8.210 nan 0.000 0.413 1111 Q N 1.030 120.802 119.800 -0.047 0.000 2.061 1111 Q HA -0.181 4.158 4.340 -0.000 0.000 0.204 1111 Q C 2.298 178.294 176.000 -0.007 0.000 0.984 1111 Q CA 1.893 57.673 55.803 -0.037 0.000 0.846 1111 Q CB -0.270 28.482 28.738 0.023 0.000 0.902 1111 Q HN 0.408 nan 8.270 nan 0.000 0.421 1112 M N -0.613 118.995 119.600 0.014 0.000 2.108 1112 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 1112 M C 2.170 178.501 176.300 0.052 0.000 1.066 1112 M CA 1.591 56.912 55.300 0.035 0.000 1.107 1112 M CB -0.479 32.136 32.600 0.025 0.000 1.356 1112 M HN 0.380 nan 8.290 nan 0.000 0.406 1113 A N 0.399 123.242 122.820 0.039 0.000 1.883 1113 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1113 A C 2.346 180.073 177.584 0.238 0.000 1.186 1113 A CA 2.141 54.265 52.037 0.144 0.000 0.624 1113 A CB -1.006 18.046 19.000 0.085 0.000 0.822 1113 A HN 0.524 nan 8.150 nan 0.000 0.444 1114 A N -0.419 122.425 122.820 0.041 0.000 1.969 1114 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 1114 A C 1.902 179.502 177.584 0.027 0.000 1.169 1114 A CA 1.545 53.547 52.037 -0.059 0.000 0.635 1114 A CB -0.462 18.303 19.000 -0.392 0.000 0.810 1114 A HN 0.658 nan 8.150 nan 0.000 0.445 1115 E N -0.299 119.897 120.200 -0.007 0.000 2.107 1115 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 1115 E C 1.815 178.337 176.600 -0.132 0.000 0.982 1115 E CA 1.101 57.351 56.400 -0.250 0.000 0.809 1115 E CB -0.238 29.397 29.700 -0.108 0.000 0.756 1115 E HN 0.697 nan 8.360 nan 0.000 0.459 1116 I N 1.148 121.758 120.570 0.068 0.000 2.286 1116 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 1116 I C 2.540 178.699 176.117 0.069 0.000 1.104 1116 I CA 0.773 62.153 61.300 0.132 0.000 1.397 1116 I CB -0.243 37.928 38.000 0.285 0.000 1.072 1116 I HN 0.059 nan 8.210 nan 0.000 0.417 1117 A N 0.385 123.269 122.820 0.106 0.000 1.933 1117 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 1117 A C 1.960 179.546 177.584 0.002 0.000 1.175 1117 A CA 2.273 54.264 52.037 -0.078 0.000 0.628 1117 A CB -0.678 18.276 19.000 -0.077 0.000 0.814 1117 A HN 0.448 nan 8.150 nan 0.000 0.444 1118 D N -0.740 119.724 120.400 0.107 0.000 2.097 1118 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 1118 D C 2.007 178.433 176.300 0.209 0.000 0.984 1118 D CA 1.670 55.821 54.000 0.252 0.000 0.826 1118 D CB -0.412 40.567 40.800 0.299 0.000 0.973 1118 D HN 0.287 nan 8.370 nan 0.000 0.460 1119 G N 0.012 108.880 108.800 0.113 0.000 2.418 1119 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 1119 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 1119 G C 1.523 176.395 174.900 -0.046 0.000 1.158 1119 G CA 0.765 45.918 45.100 0.089 0.000 0.771 1119 G HN 0.174 nan 8.290 nan 0.000 0.545 1120 M N 1.149 120.589 119.600 -0.266 0.000 2.175 1120 M HA 0.112 4.592 4.480 -0.000 0.000 0.264 1120 M C 2.996 179.053 176.300 -0.405 0.000 1.063 1120 M CA 1.090 56.032 55.300 -0.597 0.000 1.119 1120 M CB -1.235 30.400 32.600 -1.609 0.000 1.377 1120 M HN 0.315 nan 8.290 nan 0.000 0.415 1121 A N -0.845 121.886 122.820 -0.147 0.000 1.933 1121 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 1121 A C 2.149 179.723 177.584 -0.016 0.000 1.175 1121 A CA 1.468 53.605 52.037 0.167 0.000 0.628 1121 A CB -1.094 18.173 19.000 0.445 0.000 0.814 1121 A HN 0.508 nan 8.150 nan 0.000 0.444 1122 Y N -0.080 119.982 120.300 -0.396 0.000 2.163 1122 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 1122 Y C 1.995 177.573 175.900 -0.537 0.000 1.136 1122 Y CA 1.757 59.269 58.100 -0.979 0.000 1.147 1122 Y CB -0.467 37.554 38.460 -0.732 0.000 0.987 1122 Y HN 0.226 nan 8.280 nan 0.000 0.509 1123 L N 1.239 122.226 121.223 -0.394 0.000 2.042 1123 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 1123 L C 2.076 178.843 176.870 -0.173 0.000 1.076 1123 L CA 2.470 57.101 54.840 -0.348 0.000 0.749 1123 L CB -1.299 40.698 42.059 -0.103 0.000 0.893 1123 L HN 0.437 nan 8.230 nan 0.000 0.432 1124 N N -0.494 118.147 118.700 -0.099 0.000 2.244 1124 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 1124 N C 1.739 177.222 175.510 -0.046 0.000 1.016 1124 N CA 1.322 54.380 53.050 0.014 0.000 0.866 1124 N CB -0.174 38.395 38.487 0.137 0.000 0.980 1124 N HN 0.443 nan 8.380 nan 0.000 0.430 1125 A N 0.068 122.806 122.820 -0.138 0.000 2.015 1125 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 1125 A C 1.818 179.294 177.584 -0.179 0.000 1.163 1125 A CA 0.959 52.937 52.037 -0.099 0.000 0.646 1125 A CB -0.201 18.774 19.000 -0.040 0.000 0.806 1125 A HN 0.132 nan 8.150 nan 0.000 0.448 1126 K N -0.431 119.790 120.400 -0.298 0.000 2.487 1126 K HA 0.038 4.358 4.320 -0.000 0.000 0.192 1126 K C -0.248 176.199 176.600 -0.255 0.000 1.027 1126 K CA 0.101 56.261 56.287 -0.211 0.000 1.054 1126 K CB 0.173 32.597 32.500 -0.126 0.000 0.824 1126 K HN 0.280 nan 8.250 nan 0.000 0.510 1127 K N -0.053 120.221 120.400 -0.209 0.000 3.239 1127 K HA -0.150 4.170 4.320 -0.000 0.000 0.270 1127 K C -0.909 175.439 176.600 -0.420 0.000 1.083 1127 K CA 0.608 56.739 56.287 -0.260 0.000 0.782 1127 K CB -2.067 30.263 32.500 -0.283 0.000 1.290 1127 K HN 0.105 nan 8.250 nan 0.000 0.474 1128 F N -1.189 118.763 119.950 0.003 0.000 2.576 1128 F HA 0.479 5.006 4.527 -0.000 0.000 0.313 1128 F C 0.356 176.201 175.800 0.075 0.000 1.078 1128 F CA -1.148 56.879 58.000 0.044 0.000 0.921 1128 F CB 1.936 40.976 39.000 0.068 0.000 1.232 1128 F HN -0.150 nan 8.300 nan 0.000 0.459 1129 V N 3.705 123.803 119.914 0.306 0.000 2.435 1129 V HA 0.251 4.371 4.120 -0.000 0.000 0.290 1129 V C 0.412 176.656 176.094 0.249 0.000 1.030 1129 V CA -0.115 62.341 62.300 0.260 0.000 0.881 1129 V CB 1.226 33.184 31.823 0.224 0.000 0.983 1129 V HN 0.933 nan 8.190 nan 0.000 0.445 1130 H N 5.690 124.870 119.070 0.183 0.000 2.343 1130 H HA 0.039 4.595 4.556 -0.000 0.000 0.303 1130 H C 1.665 177.042 175.328 0.082 0.000 1.068 1130 H CA 2.001 58.126 56.048 0.127 0.000 1.359 1130 H CB 0.395 30.202 29.762 0.076 0.000 1.402 1130 H HN 0.864 nan 8.280 nan 0.000 0.515 1131 R N -0.897 119.768 120.500 0.275 0.000 3.961 1131 R HA -0.214 4.126 4.340 -0.000 0.000 0.457 1131 R C -0.130 176.305 176.300 0.224 0.000 0.854 1131 R CA 1.595 57.800 56.100 0.174 0.000 1.601 1131 R CB -1.402 28.768 30.300 -0.217 0.000 2.259 1131 R HN 0.338 nan 8.270 nan 0.000 0.486 1132 D N 0.160 120.763 120.400 0.337 0.000 2.908 1132 D HA 0.167 4.807 4.640 -0.000 0.000 0.361 1132 D C -0.989 175.441 176.300 0.217 0.000 1.416 1132 D CA -0.463 53.669 54.000 0.220 0.000 0.796 1132 D CB 0.404 41.232 40.800 0.047 0.000 1.185 1132 D HN 0.047 nan 8.370 nan 0.000 0.451 1133 L N 1.636 122.982 121.223 0.205 0.000 2.477 1133 L HA 0.584 4.924 4.340 -0.000 0.000 0.272 1133 L C -0.446 176.420 176.870 -0.006 0.000 1.157 1133 L CA 0.332 55.139 54.840 -0.055 0.000 0.889 1133 L CB 0.215 42.303 42.059 0.049 0.000 1.158 1133 L HN 0.224 nan 8.230 nan 0.000 0.473 1134 A N 3.932 126.679 122.820 -0.122 0.000 2.597 1134 A HA 0.677 4.997 4.320 -0.000 0.000 0.292 1134 A C 0.520 178.069 177.584 -0.059 0.000 1.057 1134 A CA -0.171 51.760 52.037 -0.176 0.000 0.674 1134 A CB 0.328 18.848 19.000 -0.799 0.000 1.278 1134 A HN 1.057 nan 8.150 nan 0.000 0.416 1135 A N 0.916 123.786 122.820 0.083 0.000 1.917 1135 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 1135 A C 1.958 179.550 177.584 0.013 0.000 1.182 1135 A CA 2.280 54.367 52.037 0.083 0.000 0.633 1135 A CB -0.692 18.406 19.000 0.163 0.000 0.819 1135 A HN 1.188 nan 8.150 nan 0.000 0.448 1136 R N -0.757 119.717 120.500 -0.044 0.000 2.193 1136 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 1136 R C 0.535 176.781 176.300 -0.090 0.000 1.110 1136 R CA 1.546 57.606 56.100 -0.066 0.000 0.988 1136 R CB -0.470 29.760 30.300 -0.117 0.000 0.871 1136 R HN 0.384 nan 8.270 nan 0.000 0.458 1137 N N -0.048 118.579 118.700 -0.121 0.000 2.268 1137 N HA 0.108 4.848 4.740 -0.000 0.000 0.204 1137 N C -0.752 174.685 175.510 -0.122 0.000 1.124 1137 N CA -0.004 52.966 53.050 -0.132 0.000 0.838 1137 N CB 0.497 38.895 38.487 -0.149 0.000 0.994 1137 N HN 0.153 nan 8.380 nan 0.000 0.489 1138 C N 0.996 120.253 119.300 -0.071 0.000 2.529 1138 C HA 0.609 5.069 4.460 -0.000 0.000 0.329 1138 C C 0.083 175.067 174.990 -0.010 0.000 1.194 1138 C CA -0.806 58.185 59.018 -0.044 0.000 1.779 1138 C CB 1.446 29.176 27.740 -0.016 0.000 2.322 1138 C HN 0.177 nan 8.230 nan 0.000 0.500 1139 M N 1.812 121.409 119.600 -0.004 0.000 2.716 1139 M HA 0.618 5.098 4.480 -0.000 0.000 0.307 1139 M C -0.875 175.418 176.300 -0.011 0.000 1.223 1139 M CA -0.676 54.625 55.300 0.003 0.000 0.871 1139 M CB 1.523 34.124 32.600 0.002 0.000 1.739 1139 M HN 0.312 nan 8.290 nan 0.000 0.475 1140 V N 1.065 120.961 119.914 -0.030 0.000 2.444 1140 V HA 0.724 4.844 4.120 -0.000 0.000 0.294 1140 V C 0.271 176.332 176.094 -0.055 0.000 1.022 1140 V CA -0.993 61.258 62.300 -0.082 0.000 0.850 1140 V CB 1.164 32.826 31.823 -0.269 0.000 0.992 1140 V HN 1.024 nan 8.190 nan 0.000 0.426 1141 A N 2.669 125.437 122.820 -0.087 0.000 2.249 1141 A HA 0.467 4.787 4.320 -0.000 0.000 0.281 1141 A C 1.190 178.665 177.584 -0.183 0.000 1.127 1141 A CA 0.496 52.459 52.037 -0.123 0.000 0.833 1141 A CB -0.027 18.866 19.000 -0.179 0.000 1.140 1141 A HN 1.243 nan 8.150 nan 0.000 0.502 1142 H N -1.143 117.803 119.070 -0.206 0.000 2.489 1142 H HA -0.067 4.489 4.556 -0.000 0.000 0.293 1142 H C 0.500 175.572 175.328 -0.426 0.000 1.066 1142 H CA 1.506 57.379 56.048 -0.292 0.000 1.305 1142 H CB -0.059 29.574 29.762 -0.214 0.000 1.386 1142 H HN 0.575 nan 8.280 nan 0.000 0.551 1143 D N -0.513 119.419 120.400 -0.780 0.000 2.463 1143 D HA -0.048 4.592 4.640 -0.000 0.000 0.224 1143 D C 0.017 176.145 176.300 -0.288 0.000 1.174 1143 D CA -0.756 52.935 54.000 -0.516 0.000 0.829 1143 D CB -0.945 39.602 40.800 -0.422 0.000 0.993 1143 D HN 0.545 nan 8.370 nan 0.000 0.497 1144 F N -0.801 119.081 119.950 -0.112 0.000 2.871 1144 F HA -0.255 4.272 4.527 -0.000 0.000 0.326 1144 F C 0.445 176.172 175.800 -0.121 0.000 0.675 1144 F CA 0.737 58.642 58.000 -0.158 0.000 1.188 1144 F CB -2.495 36.414 39.000 -0.152 0.000 1.567 1144 F HN -0.095 nan 8.300 nan 0.000 0.325 1145 T N 1.908 116.459 114.554 -0.005 0.000 2.902 1145 T HA 0.367 4.717 4.350 -0.000 0.000 0.301 1145 T C 0.506 175.230 174.700 0.039 0.000 1.012 1145 T CA -0.175 61.955 62.100 0.050 0.000 1.151 1145 T CB 1.260 70.146 68.868 0.029 0.000 0.946 1145 T HN 0.048 nan 8.240 nan 0.000 0.542 1146 V N 5.034 125.001 119.914 0.088 0.000 2.481 1146 V HA 0.447 4.567 4.120 -0.000 0.000 0.286 1146 V C 0.268 176.419 176.094 0.095 0.000 1.042 1146 V CA -0.458 61.879 62.300 0.062 0.000 0.928 1146 V CB 1.346 33.205 31.823 0.060 0.000 0.986 1146 V HN 0.767 nan 8.190 nan 0.000 0.462 1147 K N 4.030 124.461 120.400 0.051 0.000 2.477 1147 K HA 0.590 4.910 4.320 -0.000 0.000 0.255 1147 K C -1.423 175.193 176.600 0.027 0.000 0.952 1147 K CA -0.976 55.348 56.287 0.061 0.000 0.826 1147 K CB 2.451 34.961 32.500 0.018 0.000 1.331 1147 K HN 0.336 nan 8.250 nan 0.000 0.437 1148 I N 1.747 122.335 120.570 0.031 0.000 2.471 1148 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 1148 I C 1.104 177.210 176.117 -0.018 0.000 1.079 1148 I CA 0.324 61.584 61.300 -0.067 0.000 1.398 1148 I CB 0.348 38.290 38.000 -0.097 0.000 1.403 1148 I HN 0.983 nan 8.210 nan 0.000 0.530 1149 G N 4.933 113.668 108.800 -0.107 0.000 3.979 1149 G HA2 0.077 4.037 3.960 -0.000 0.000 0.287 1149 G HA3 0.077 4.037 3.960 -0.000 0.000 0.287 1149 G C -0.116 174.763 174.900 -0.035 0.000 1.011 1149 G CA -0.054 45.056 45.100 0.016 0.000 0.818 1149 G HN 0.614 nan 8.290 nan 0.000 0.470 1150 D N -0.024 120.181 120.400 -0.325 0.000 2.855 1150 D HA 0.351 4.991 4.640 -0.000 0.000 0.241 1150 D C -1.159 174.839 176.300 -0.502 0.000 1.277 1150 D CA -0.523 53.343 54.000 -0.223 0.000 0.918 1150 D CB 1.496 42.194 40.800 -0.170 0.000 1.462 1150 D HN -0.053 nan 8.370 nan 0.000 0.559 1151 F N 1.710 121.635 119.950 -0.043 0.000 2.818 1151 F HA 0.314 4.841 4.527 -0.000 0.000 0.369 1151 F C 1.785 177.497 175.800 -0.146 0.000 1.327 1151 F CA -0.686 57.208 58.000 -0.177 0.000 1.211 1151 F CB 1.348 40.278 39.000 -0.117 0.000 1.036 1151 F HN 0.493 nan 8.300 nan 0.000 0.510 1152 G N -0.044 108.757 108.800 0.001 0.000 2.498 1152 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 1152 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 1152 G C 1.206 176.198 174.900 0.154 0.000 1.119 1152 G CA 0.654 45.857 45.100 0.172 0.000 0.766 1152 G HN 0.397 nan 8.290 nan 0.000 0.552 1153 M N 0.336 119.916 119.600 -0.035 0.000 2.300 1153 M HA 0.151 4.631 4.480 -0.000 0.000 0.313 1153 M C 0.121 176.352 176.300 -0.115 0.000 0.988 1153 M CA -0.076 55.186 55.300 -0.063 0.000 1.012 1153 M CB 1.206 33.750 32.600 -0.092 0.000 1.586 1153 M HN -0.140 nan 8.290 nan 0.000 0.562 1154 T N 2.721 117.200 114.554 -0.125 0.000 2.946 1154 T HA 0.175 4.525 4.350 -0.000 0.000 0.311 1154 T C 0.285 175.009 174.700 0.041 0.000 1.063 1154 T CA 0.348 62.413 62.100 -0.057 0.000 1.139 1154 T CB 0.428 69.277 68.868 -0.032 0.000 0.994 1154 T HN 0.180 nan 8.240 nan 0.000 0.547 1155 R N 1.771 122.357 120.500 0.144 0.000 2.795 1155 R HA 0.349 4.689 4.340 -0.000 0.000 0.275 1155 R C -0.854 175.641 176.300 0.324 0.000 0.981 1155 R CA -0.986 55.225 56.100 0.184 0.000 0.917 1155 R CB 1.702 32.044 30.300 0.070 0.000 1.202 1155 R HN 0.704 nan 8.270 nan 0.000 0.469 1156 D N 1.790 122.332 120.400 0.238 0.000 2.350 1156 D HA 0.358 4.998 4.640 -0.000 0.000 0.249 1156 D C 0.206 176.489 176.300 -0.028 0.000 1.119 1156 D CA -0.203 53.800 54.000 0.006 0.000 0.886 1156 D CB 0.625 41.399 40.800 -0.042 0.000 1.195 1156 D HN 0.445 nan 8.370 nan 0.000 0.437 1160 T N -1.861 112.690 114.554 -0.005 0.000 2.969 1160 T HA 0.256 4.606 4.350 -0.000 0.000 0.258 1160 T C 0.175 174.885 174.700 0.016 0.000 0.962 1160 T CA 0.487 62.592 62.100 0.008 0.000 0.903 1160 T CB 1.321 70.199 68.868 0.016 0.000 1.177 1160 T HN -0.128 nan 8.240 nan 0.000 0.511 1165 K N 1.522 122.060 120.400 0.229 0.000 2.278 1165 K HA 0.271 4.591 4.320 -0.000 0.000 0.289 1165 K C 0.826 177.487 176.600 0.102 0.000 1.080 1165 K CA 0.352 56.746 56.287 0.178 0.000 0.934 1165 K CB 0.530 33.193 32.500 0.271 0.000 1.093 1165 K HN 0.790 nan 8.250 nan 0.000 0.459 1166 G N 2.129 110.971 108.800 0.069 0.000 2.556 1166 G HA2 0.166 4.126 3.960 -0.000 0.000 0.215 1166 G HA3 0.166 4.126 3.960 -0.000 0.000 0.215 1166 G C 1.224 176.149 174.900 0.041 0.000 1.258 1166 G CA 0.965 46.094 45.100 0.048 0.000 0.811 1166 G HN 0.948 nan 8.290 nan 0.000 0.557 1167 G N -0.438 108.384 108.800 0.036 0.000 2.624 1167 G HA2 0.511 4.471 3.960 -0.000 0.000 0.217 1167 G HA3 0.511 4.471 3.960 -0.000 0.000 0.217 1167 G C 0.211 175.133 174.900 0.038 0.000 1.506 1167 G CA 0.831 45.950 45.100 0.030 0.000 1.072 1167 G HN 0.768 nan 8.290 nan 0.000 0.568 1168 K N -2.283 118.136 120.400 0.032 0.000 2.380 1168 K HA 0.886 5.206 4.320 -0.000 0.000 0.243 1168 K C 0.230 176.852 176.600 0.038 0.000 1.071 1168 K CA -0.203 56.106 56.287 0.038 0.000 0.942 1168 K CB 1.010 33.528 32.500 0.030 0.000 1.324 1168 K HN 2.469 nan 8.250 nan 0.000 0.517 1169 G N -0.957 107.868 108.800 0.042 0.000 2.312 1169 G HA2 0.303 4.263 3.960 -0.000 0.000 0.347 1169 G HA3 0.303 4.263 3.960 -0.000 0.000 0.347 1169 G C -1.085 173.849 174.900 0.057 0.000 1.564 1169 G CA -0.646 44.479 45.100 0.043 0.000 0.981 1169 G HN 0.749 nan 8.290 nan 0.000 0.678 1170 L N 0.584 121.842 121.223 0.058 0.000 2.499 1170 L HA 0.464 4.804 4.340 -0.000 0.000 0.273 1170 L C 0.380 177.300 176.870 0.083 0.000 1.195 1170 L CA 0.112 54.994 54.840 0.069 0.000 0.882 1170 L CB 0.255 42.355 42.059 0.067 0.000 1.133 1170 L HN 0.429 nan 8.230 nan 0.000 0.483 1171 L N 4.892 126.175 121.223 0.099 0.000 2.371 1171 L HA 0.492 4.832 4.340 -0.000 0.000 0.262 1171 L C -2.155 174.805 176.870 0.150 0.000 1.006 1171 L CA -1.664 53.252 54.840 0.127 0.000 0.818 1171 L CB 2.092 44.248 42.059 0.162 0.000 1.354 1171 L HN 0.425 nan 8.230 nan 0.000 0.415 1172 P HA 0.095 nan 4.420 nan 0.000 0.244 1172 P C 0.839 178.354 177.300 0.358 0.000 1.769 1172 P CA -0.222 63.034 63.100 0.259 0.000 1.102 1172 P CB 0.774 32.579 31.700 0.175 0.000 1.937 1173 V N 3.511 123.579 119.914 0.257 0.000 2.380 1173 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 1173 V C 2.436 178.638 176.094 0.179 0.000 1.063 1173 V CA 1.867 64.272 62.300 0.174 0.000 1.055 1173 V CB -0.941 30.935 31.823 0.088 0.000 0.657 1173 V HN 0.443 nan 8.190 nan 0.000 0.455 1174 R N -1.536 119.122 120.500 0.264 0.000 2.316 1174 R HA -0.062 4.277 4.340 -0.000 0.000 0.202 1174 R C 1.485 177.807 176.300 0.037 0.000 1.029 1174 R CA 0.782 56.945 56.100 0.104 0.000 1.018 1174 R CB -0.066 30.189 30.300 -0.075 0.000 0.888 1174 R HN 0.578 nan 8.270 nan 0.000 0.471 1175 W N -0.186 121.265 121.300 0.251 0.000 2.862 1175 W HA 0.318 4.978 4.660 -0.000 0.000 0.376 1175 W C -0.183 176.543 176.519 0.344 0.000 1.028 1175 W CA -0.482 57.058 57.345 0.324 0.000 1.757 1175 W CB 0.376 29.994 29.460 0.263 0.000 1.128 1175 W HN -0.020 nan 8.180 nan 0.000 0.566 1176 M N 0.472 120.277 119.600 0.341 0.000 2.318 1176 M HA 0.472 4.952 4.480 -0.000 0.000 0.347 1176 M C 0.547 176.558 176.300 -0.482 0.000 1.175 1176 M CA -0.267 55.075 55.300 0.070 0.000 1.075 1176 M CB 1.576 34.208 32.600 0.053 0.000 1.614 1176 M HN -0.243 nan 8.290 nan 0.000 0.456 1177 A N 3.983 126.367 122.820 -0.726 0.000 2.351 1177 A HA 0.415 4.735 4.320 -0.000 0.000 0.257 1177 A C -1.652 175.354 177.584 -0.962 0.000 1.087 1177 A CA -1.347 49.863 52.037 -1.378 0.000 0.798 1177 A CB -0.345 18.235 19.000 -0.700 0.000 1.033 1177 A HN 0.655 nan 8.150 nan 0.000 0.488 1178 P HA -0.257 nan 4.420 nan 0.000 0.216 1178 P C 1.082 178.070 177.300 -0.520 0.000 1.153 1178 P CA 1.870 64.547 63.100 -0.706 0.000 0.858 1178 P CB -0.010 31.167 31.700 -0.873 0.000 0.789 1179 E N 0.028 119.904 120.200 -0.541 0.000 2.268 1179 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 1179 E C 1.723 178.096 176.600 -0.379 0.000 0.995 1179 E CA 1.122 57.296 56.400 -0.376 0.000 0.836 1179 E CB -0.973 28.535 29.700 -0.320 0.000 0.763 1179 E HN 0.178 nan 8.360 nan 0.000 0.491 1180 S N 0.902 116.307 115.700 -0.492 0.000 2.395 1180 S HA 0.095 4.565 4.470 -0.000 0.000 0.225 1180 S C 2.084 176.439 174.600 -0.409 0.000 1.027 1180 S CA 0.478 58.286 58.200 -0.653 0.000 0.965 1180 S CB -0.115 62.581 63.200 -0.840 0.000 0.812 1180 S HN 0.195 nan 8.310 nan 0.000 0.482 1181 L N 1.196 122.232 121.223 -0.312 0.000 2.109 1181 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 1181 L C 2.489 179.275 176.870 -0.141 0.000 1.086 1181 L CA 1.106 55.835 54.840 -0.186 0.000 0.760 1181 L CB -0.317 41.628 42.059 -0.191 0.000 0.910 1181 L HN 0.234 nan 8.230 nan 0.000 0.437 1182 K N 0.053 120.353 120.400 -0.166 0.000 1.995 1182 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 1182 K C 1.142 177.688 176.600 -0.090 0.000 1.041 1182 K CA 1.497 57.719 56.287 -0.108 0.000 0.942 1182 K CB 0.172 32.612 32.500 -0.100 0.000 0.731 1182 K HN 0.204 nan 8.250 nan 0.000 0.439 1183 D N -1.116 119.213 120.400 -0.118 0.000 2.379 1183 D HA 0.092 4.732 4.640 -0.000 0.000 0.208 1183 D C 0.566 176.819 176.300 -0.078 0.000 1.065 1183 D CA 0.764 54.715 54.000 -0.083 0.000 0.848 1183 D CB 0.947 41.701 40.800 -0.078 0.000 0.949 1183 D HN 0.574 nan 8.370 nan 0.000 0.509 1184 G N 1.385 110.099 108.800 -0.143 0.000 2.176 1184 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 1184 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 1184 G C 0.235 175.064 174.900 -0.119 0.000 1.024 1184 G CA 0.080 45.127 45.100 -0.088 0.000 0.755 1184 G HN 0.271 nan 8.290 nan 0.000 0.507 1185 V N 0.456 120.190 119.914 -0.300 0.000 2.407 1185 V HA 0.716 4.836 4.120 -0.000 0.000 0.278 1185 V C -0.008 175.857 176.094 -0.383 0.000 1.037 1185 V CA -0.392 61.803 62.300 -0.176 0.000 0.900 1185 V CB 0.975 32.728 31.823 -0.116 0.000 0.983 1185 V HN 0.237 nan 8.190 nan 0.000 0.459 1186 F N 3.007 122.973 119.950 0.027 0.000 2.507 1186 F HA 0.745 5.272 4.527 -0.000 0.000 0.325 1186 F C 0.506 176.347 175.800 0.068 0.000 1.116 1186 F CA -0.452 57.580 58.000 0.054 0.000 0.930 1186 F CB 2.276 41.323 39.000 0.077 0.000 1.146 1186 F HN 0.582 nan 8.300 nan 0.000 0.447 1187 T N -2.768 111.927 114.554 0.235 0.000 2.778 1187 T HA 0.221 4.571 4.350 -0.000 0.000 0.293 1187 T C 0.612 175.444 174.700 0.220 0.000 1.144 1187 T CA -0.312 61.899 62.100 0.184 0.000 1.010 1187 T CB 1.420 70.351 68.868 0.105 0.000 1.325 1187 T HN 0.477 nan 8.240 nan 0.000 0.515 1188 T N -0.034 114.638 114.554 0.197 0.000 2.881 1188 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 1188 T C 1.964 176.778 174.700 0.190 0.000 1.068 1188 T CA 2.242 64.498 62.100 0.259 0.000 1.131 1188 T CB -0.756 68.250 68.868 0.230 0.000 0.871 1188 T HN 0.653 nan 8.240 nan 0.000 0.479 1189 S N 0.498 116.266 115.700 0.112 0.000 2.387 1189 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 1189 S C 2.319 177.002 174.600 0.138 0.000 1.026 1189 S CA 1.776 60.014 58.200 0.064 0.000 0.972 1189 S CB -0.522 62.700 63.200 0.037 0.000 0.814 1189 S HN 0.775 nan 8.310 nan 0.000 0.477 1190 S N 0.523 116.319 115.700 0.159 0.000 2.428 1190 S HA -0.041 4.428 4.470 -0.000 0.000 0.230 1190 S C 1.435 176.247 174.600 0.353 0.000 1.014 1190 S CA 1.021 59.334 58.200 0.189 0.000 0.957 1190 S CB -0.564 62.677 63.200 0.067 0.000 0.784 1190 S HN 0.440 nan 8.310 nan 0.000 0.499 1191 D N 1.215 121.841 120.400 0.376 0.000 2.178 1191 D HA 0.023 4.662 4.640 -0.000 0.000 0.202 1191 D C 1.719 178.348 176.300 0.549 0.000 0.974 1191 D CA 0.899 55.196 54.000 0.495 0.000 0.841 1191 D CB -0.348 40.786 40.800 0.556 0.000 0.953 1191 D HN 0.381 nan 8.370 nan 0.000 0.478 1192 M N -0.173 119.596 119.600 0.281 0.000 2.159 1192 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 1192 M C 1.815 178.309 176.300 0.323 0.000 1.063 1192 M CA 1.194 56.520 55.300 0.042 0.000 1.110 1192 M CB -0.623 31.831 32.600 -0.243 0.000 1.374 1192 M HN 0.225 nan 8.290 nan 0.000 0.411 1193 W N 0.429 121.860 121.300 0.219 0.000 2.335 1193 W HA -0.202 4.457 4.660 -0.000 0.000 0.311 1193 W C 1.923 178.706 176.519 0.439 0.000 1.213 1193 W CA 2.083 59.623 57.345 0.325 0.000 1.274 1193 W CB -1.046 28.555 29.460 0.235 0.000 1.148 1193 W HN 0.273 nan 8.180 nan 0.000 0.498 1194 S N 0.845 116.981 115.700 0.727 0.000 2.370 1194 S HA -0.251 4.219 4.470 -0.000 0.000 0.226 1194 S C 1.560 176.487 174.600 0.546 0.000 1.033 1194 S CA 1.693 60.294 58.200 0.669 0.000 1.011 1194 S CB -1.148 62.411 63.200 0.599 0.000 0.852 1194 S HN 0.355 nan 8.310 nan 0.000 0.457 1195 F N 2.628 122.792 119.950 0.357 0.000 2.120 1195 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 1195 F C 2.251 178.152 175.800 0.169 0.000 1.095 1195 F CA 1.429 59.596 58.000 0.279 0.000 1.249 1195 F CB -0.992 38.228 39.000 0.367 0.000 0.995 1195 F HN 0.216 nan 8.300 nan 0.000 0.480 1196 G N -0.177 108.685 108.800 0.103 0.000 2.422 1196 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 1196 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 1196 G C 1.689 176.653 174.900 0.106 0.000 1.146 1196 G CA 1.179 46.138 45.100 -0.235 0.000 0.769 1196 G HN 0.365 nan 8.290 nan 0.000 0.547 1197 V N 0.517 120.659 119.914 0.379 0.000 2.515 1197 V HA -0.131 3.989 4.120 -0.000 0.000 0.250 1197 V C 2.960 179.260 176.094 0.343 0.000 1.058 1197 V CA 1.213 63.722 62.300 0.348 0.000 1.064 1197 V CB -0.185 31.691 31.823 0.089 0.000 0.675 1197 V HN 0.244 nan 8.190 nan 0.000 0.461 1198 V N -0.075 120.000 119.914 0.268 0.000 2.427 1198 V HA -0.208 3.911 4.120 -0.000 0.000 0.248 1198 V C 2.269 178.384 176.094 0.034 0.000 1.051 1198 V CA 1.688 64.105 62.300 0.194 0.000 1.048 1198 V CB -0.472 31.409 31.823 0.098 0.000 0.666 1198 V HN 0.457 nan 8.190 nan 0.000 0.456 1199 L N -1.718 119.424 121.223 -0.135 0.000 2.141 1199 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 1199 L C 2.286 179.148 176.870 -0.014 0.000 1.094 1199 L CA 1.854 56.584 54.840 -0.183 0.000 0.763 1199 L CB -0.528 41.326 42.059 -0.343 0.000 0.908 1199 L HN 0.502 nan 8.230 nan 0.000 0.437 1200 W N 1.579 122.848 121.300 -0.052 0.000 2.358 1200 W HA -0.180 4.480 4.660 -0.000 0.000 0.303 1200 W C 2.427 178.942 176.519 -0.007 0.000 1.208 1200 W CA 1.550 58.903 57.345 0.014 0.000 1.274 1200 W CB 0.024 29.554 29.460 0.116 0.000 1.138 1200 W HN 0.079 nan 8.180 nan 0.000 0.515 1201 E N 0.037 120.394 120.200 0.261 0.000 2.118 1201 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 1201 E C 2.105 178.672 176.600 -0.054 0.000 0.992 1201 E CA 1.805 58.288 56.400 0.138 0.000 0.804 1201 E CB -0.473 29.408 29.700 0.301 0.000 0.741 1201 E HN 0.383 nan 8.360 nan 0.000 0.458 1202 I N 1.077 121.620 120.570 -0.045 0.000 2.179 1202 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 1202 I C 2.699 178.722 176.117 -0.158 0.000 1.088 1202 I CA 1.594 62.847 61.300 -0.078 0.000 1.357 1202 I CB -0.474 37.488 38.000 -0.064 0.000 1.051 1202 I HN 0.211 nan 8.210 nan 0.000 0.409 1203 T N -2.660 111.761 114.554 -0.221 0.000 3.072 1203 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 1203 T C 1.476 175.962 174.700 -0.358 0.000 1.127 1203 T CA 0.974 62.917 62.100 -0.262 0.000 1.107 1203 T CB -0.299 68.416 68.868 -0.255 0.000 0.910 1203 T HN 0.418 nan 8.240 nan 0.000 0.513 1204 S N 0.714 116.130 115.700 -0.474 0.000 2.629 1204 S HA 0.373 4.843 4.470 -0.000 0.000 0.236 1204 S C 0.640 175.058 174.600 -0.304 0.000 1.010 1204 S CA -0.627 57.269 58.200 -0.506 0.000 0.981 1204 S CB -0.623 62.000 63.200 -0.962 0.000 0.919 1204 S HN 0.495 nan 8.310 nan 0.000 0.514 1205 L N 0.853 121.943 121.223 -0.221 0.000 3.632 1205 L HA -0.250 4.090 4.340 -0.000 0.000 0.510 1205 L C 0.752 177.569 176.870 -0.089 0.000 1.299 1205 L CA 0.046 54.800 54.840 -0.143 0.000 0.829 1205 L CB -2.568 39.406 42.059 -0.142 0.000 1.559 1205 L HN 0.842 nan 8.230 nan 0.000 0.857 1206 A N -0.201 122.591 122.820 -0.047 0.000 2.610 1206 A HA -0.221 4.099 4.320 -0.000 0.000 0.299 1206 A C 0.641 178.272 177.584 0.080 0.000 1.487 1206 A CA 1.722 53.795 52.037 0.061 0.000 0.743 1206 A CB -0.982 18.065 19.000 0.078 0.000 1.070 1206 A HN 0.734 nan 8.150 nan 0.000 0.439 1207 E N -0.452 119.767 120.200 0.033 0.000 2.314 1207 E HA 0.355 4.705 4.350 -0.000 0.000 0.262 1207 E C 0.500 177.278 176.600 0.297 0.000 1.093 1207 E CA -0.599 55.856 56.400 0.092 0.000 0.908 1207 E CB 0.446 30.127 29.700 -0.032 0.000 1.091 1207 E HN 0.598 nan 8.360 nan 0.000 0.425 1208 Q N 2.581 122.531 119.800 0.250 0.000 2.296 1208 Q HA 0.179 4.518 4.340 -0.000 0.000 0.262 1208 Q C -2.267 173.811 176.000 0.131 0.000 0.981 1208 Q CA -1.802 54.129 55.803 0.213 0.000 0.905 1208 Q CB 0.772 29.597 28.738 0.145 0.000 1.186 1208 Q HN 0.181 nan 8.270 nan 0.000 0.399 1209 P HA -0.068 nan 4.420 nan 0.000 0.268 1209 P C -1.337 175.681 177.300 -0.470 0.000 1.204 1209 P CA 0.395 62.994 63.100 -0.836 0.000 0.768 1209 P CB 0.114 31.189 31.700 -1.041 0.000 0.842 1210 Y N -1.631 118.372 120.300 -0.495 0.000 3.389 1210 Y HA -0.238 4.312 4.550 -0.000 0.000 0.213 1210 Y C 1.221 177.018 175.900 -0.170 0.000 1.272 1210 Y CA 0.638 58.556 58.100 -0.303 0.000 1.444 1210 Y CB -2.750 35.545 38.460 -0.273 0.000 1.445 1210 Y HN 0.494 nan 8.280 nan 0.000 0.583 1211 Q N 0.815 120.611 119.800 -0.007 0.000 2.330 1211 Q HA 0.454 4.793 4.340 -0.000 0.000 0.279 1211 Q C 1.411 177.413 176.000 0.004 0.000 1.024 1211 Q CA 0.998 56.820 55.803 0.031 0.000 0.900 1211 Q CB 0.826 29.605 28.738 0.068 0.000 1.221 1211 Q HN 1.570 nan 8.270 nan 0.000 0.396 1212 G N 0.233 109.032 108.800 -0.002 0.000 2.218 1212 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 1212 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 1212 G C 0.160 175.031 174.900 -0.048 0.000 0.994 1212 G CA 0.079 45.164 45.100 -0.025 0.000 0.637 1212 G HN 0.903 nan 8.290 nan 0.000 0.505 1213 L N 1.707 122.900 121.223 -0.049 0.000 2.333 1213 L HA 0.708 5.048 4.340 -0.000 0.000 0.269 1213 L C 1.065 177.909 176.870 -0.044 0.000 1.010 1213 L CA -0.481 54.313 54.840 -0.077 0.000 0.818 1213 L CB 1.997 43.971 42.059 -0.142 0.000 1.306 1213 L HN 0.370 nan 8.230 nan 0.000 0.430 1214 S N 0.035 115.707 115.700 -0.046 0.000 2.681 1214 S HA 0.225 4.695 4.470 -0.000 0.000 0.270 1214 S C 0.646 175.226 174.600 -0.033 0.000 1.209 1214 S CA -0.617 57.568 58.200 -0.024 0.000 0.988 1214 S CB 1.091 64.280 63.200 -0.019 0.000 1.006 1214 S HN 0.601 nan 8.310 nan 0.000 0.558 1215 N N 1.190 119.884 118.700 -0.010 0.000 2.084 1215 N HA -0.080 4.660 4.740 -0.000 0.000 0.190 1215 N C 1.548 177.039 175.510 -0.031 0.000 1.030 1215 N CA 1.689 54.733 53.050 -0.011 0.000 0.849 1215 N CB -0.752 37.748 38.487 0.022 0.000 1.012 1215 N HN 0.729 nan 8.380 nan 0.000 0.423 1216 E N 0.783 120.971 120.200 -0.021 0.000 2.085 1216 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 1216 E C 1.981 178.561 176.600 -0.034 0.000 0.994 1216 E CA 1.091 57.478 56.400 -0.022 0.000 0.801 1216 E CB -0.185 29.507 29.700 -0.014 0.000 0.743 1216 E HN 0.495 nan 8.360 nan 0.000 0.453 1217 Q N -0.146 119.626 119.800 -0.047 0.000 2.079 1217 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 1217 Q C 2.285 178.244 176.000 -0.069 0.000 0.974 1217 Q CA 1.237 57.005 55.803 -0.057 0.000 0.840 1217 Q CB -0.014 28.672 28.738 -0.087 0.000 0.898 1217 Q HN 0.165 nan 8.270 nan 0.000 0.430 1218 V N 1.739 121.572 119.914 -0.133 0.000 2.261 1218 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 1218 V C 2.231 178.223 176.094 -0.170 0.000 1.047 1218 V CA 1.465 63.612 62.300 -0.255 0.000 1.015 1218 V CB -0.711 30.901 31.823 -0.352 0.000 0.642 1218 V HN 0.454 nan 8.190 nan 0.000 0.446 1219 L N 0.688 121.841 121.223 -0.116 0.000 2.021 1219 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 1219 L C 2.417 179.249 176.870 -0.064 0.000 1.074 1219 L CA 2.789 57.577 54.840 -0.088 0.000 0.760 1219 L CB -0.943 41.085 42.059 -0.052 0.000 0.889 1219 L HN 0.441 nan 8.230 nan 0.000 0.433 1220 K N -1.300 119.084 120.400 -0.026 0.000 2.062 1220 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 1220 K C 2.212 178.835 176.600 0.039 0.000 1.051 1220 K CA 1.284 57.572 56.287 0.002 0.000 0.941 1220 K CB -0.381 32.127 32.500 0.014 0.000 0.719 1220 K HN 0.237 nan 8.250 nan 0.000 0.440 1221 F N 1.350 121.225 119.950 -0.125 0.000 2.102 1221 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 1221 F C 1.788 177.539 175.800 -0.081 0.000 1.105 1221 F CA 1.308 59.237 58.000 -0.118 0.000 1.239 1221 F CB -0.422 38.470 39.000 -0.181 0.000 0.991 1221 F HN -0.194 nan 8.300 nan 0.000 0.474 1222 V N 0.446 120.255 119.914 -0.175 0.000 2.358 1222 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 1222 V C 2.457 178.485 176.094 -0.109 0.000 1.047 1222 V CA 2.111 64.286 62.300 -0.207 0.000 1.035 1222 V CB -0.601 31.095 31.823 -0.213 0.000 0.658 1222 V HN 0.363 nan 8.190 nan 0.000 0.452 1223 M N -0.398 119.153 119.600 -0.081 0.000 2.460 1223 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 1223 M C 0.988 177.358 176.300 0.116 0.000 1.071 1223 M CA 1.199 56.512 55.300 0.022 0.000 1.096 1223 M CB -0.267 32.318 32.600 -0.026 0.000 1.408 1223 M HN 0.305 nan 8.290 nan 0.000 0.463 1224 D N -0.382 120.013 120.400 -0.009 0.000 2.342 1224 D HA 0.188 4.828 4.640 -0.000 0.000 0.221 1224 D C 1.159 177.372 176.300 -0.145 0.000 1.101 1224 D CA 0.509 54.465 54.000 -0.073 0.000 0.837 1224 D CB 0.420 41.180 40.800 -0.066 0.000 0.938 1224 D HN 0.479 nan 8.370 nan 0.000 0.508 1225 G N 0.297 109.068 108.800 -0.048 0.000 2.141 1225 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.231 1225 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.231 1225 G C 0.656 175.508 174.900 -0.080 0.000 0.984 1225 G CA -0.198 44.894 45.100 -0.015 0.000 0.660 1225 G HN 0.552 nan 8.290 nan 0.000 0.525 1226 G N -0.450 108.051 108.800 -0.498 0.000 2.437 1226 G HA2 0.867 4.827 3.960 -0.000 0.000 0.319 1226 G HA3 0.867 4.827 3.960 -0.000 0.000 0.319 1226 G C -0.461 174.187 174.900 -0.420 0.000 1.158 1226 G CA -0.236 44.206 45.100 -1.098 0.000 0.899 1226 G HN 1.297 nan 8.290 nan 0.000 0.502 1227 Y N -1.275 118.913 120.300 -0.187 0.000 2.655 1227 Y HA 0.641 5.191 4.550 -0.000 0.000 0.336 1227 Y C -0.380 175.450 175.900 -0.116 0.000 1.154 1227 Y CA -1.760 56.273 58.100 -0.111 0.000 1.055 1227 Y CB 0.727 39.040 38.460 -0.246 0.000 1.295 1227 Y HN 0.467 nan 8.280 nan 0.000 0.465 1228 L N 2.860 123.743 121.223 -0.566 0.000 2.506 1228 L HA 0.104 4.444 4.340 -0.000 0.000 0.281 1228 L C -0.129 176.660 176.870 -0.135 0.000 1.228 1228 L CA 0.134 54.532 54.840 -0.737 0.000 0.850 1228 L CB 0.095 41.242 42.059 -1.520 0.000 1.110 1228 L HN 0.758 nan 8.230 nan 0.000 0.496 1229 D N 1.287 121.679 120.400 -0.014 0.000 2.432 1229 D HA 0.194 4.833 4.640 -0.000 0.000 0.258 1229 D C -0.634 175.899 176.300 0.388 0.000 1.146 1229 D CA -0.729 53.379 54.000 0.180 0.000 1.015 1229 D CB 0.475 41.341 40.800 0.110 0.000 1.107 1229 D HN 0.179 nan 8.370 nan 0.000 0.529 1230 Q N 0.700 120.671 119.800 0.285 0.000 2.294 1230 Q HA 0.326 4.665 4.340 -0.000 0.000 0.257 1230 Q C -1.989 174.088 176.000 0.128 0.000 0.955 1230 Q CA -1.848 54.097 55.803 0.237 0.000 0.936 1230 Q CB 0.558 29.383 28.738 0.145 0.000 1.188 1230 Q HN 0.439 nan 8.270 nan 0.000 0.420 1231 P HA 0.024 nan 4.420 nan 0.000 0.268 1231 P C -0.465 176.788 177.300 -0.078 0.000 1.205 1231 P CA -0.298 62.739 63.100 -0.105 0.000 0.771 1231 P CB 0.794 32.272 31.700 -0.370 0.000 0.858 1232 D N 2.241 122.604 120.400 -0.061 0.000 2.515 1232 D HA -0.109 4.531 4.640 -0.000 0.000 0.232 1232 D C 1.298 177.555 176.300 -0.072 0.000 1.157 1232 D CA 1.261 55.230 54.000 -0.050 0.000 0.871 1232 D CB -0.230 40.543 40.800 -0.045 0.000 1.200 1232 D HN 0.608 nan 8.370 nan 0.000 0.466 1233 N N -0.776 117.890 118.700 -0.057 0.000 2.713 1233 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 1233 N C -0.471 174.992 175.510 -0.077 0.000 1.117 1233 N CA 0.942 53.954 53.050 -0.064 0.000 0.770 1233 N CB -2.045 36.400 38.487 -0.070 0.000 1.137 1233 N HN 0.377 nan 8.380 nan 0.000 0.566 1234 C N 0.972 120.225 119.300 -0.078 0.000 2.464 1234 C HA 0.501 4.961 4.460 -0.000 0.000 0.370 1234 C C -1.676 173.275 174.990 -0.063 0.000 1.267 1234 C CA -1.821 57.144 59.018 -0.088 0.000 1.781 1234 C CB -0.736 26.950 27.740 -0.089 0.000 2.431 1234 C HN 0.442 nan 8.230 nan 0.000 0.556 1235 P HA 0.021 nan 4.420 nan 0.000 0.263 1235 P C 0.582 177.853 177.300 -0.049 0.000 1.175 1235 P CA 0.580 63.647 63.100 -0.056 0.000 0.761 1235 P CB 0.433 32.096 31.700 -0.062 0.000 0.794 1236 E N 2.219 122.396 120.200 -0.038 0.000 2.110 1236 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 1236 E C 1.708 178.283 176.600 -0.041 0.000 0.988 1236 E CA 1.073 57.454 56.400 -0.031 0.000 0.804 1236 E CB -0.120 29.567 29.700 -0.023 0.000 0.745 1236 E HN 0.410 nan 8.360 nan 0.000 0.458 1237 R N 0.333 120.805 120.500 -0.046 0.000 2.120 1237 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 1237 R C 2.279 178.537 176.300 -0.069 0.000 1.123 1237 R CA 0.795 56.863 56.100 -0.053 0.000 0.975 1237 R CB -0.021 30.250 30.300 -0.050 0.000 0.866 1237 R HN 0.040 nan 8.270 nan 0.000 0.446 1238 V N -0.177 119.691 119.914 -0.077 0.000 2.649 1238 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 1238 V C 1.924 177.943 176.094 -0.125 0.000 1.054 1238 V CA 1.701 63.941 62.300 -0.101 0.000 1.073 1238 V CB -0.089 31.671 31.823 -0.104 0.000 0.699 1238 V HN 0.336 nan 8.190 nan 0.000 0.463 1239 T N -0.048 114.451 114.554 -0.093 0.000 2.833 1239 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 1239 T C 1.572 176.199 174.700 -0.121 0.000 1.054 1239 T CA 1.592 63.641 62.100 -0.086 0.000 1.135 1239 T CB -0.322 68.532 68.868 -0.023 0.000 0.869 1239 T HN 0.483 nan 8.240 nan 0.000 0.466 1240 D N 0.917 121.258 120.400 -0.100 0.000 2.219 1240 D HA 0.026 4.666 4.640 -0.000 0.000 0.205 1240 D C 2.055 178.267 176.300 -0.146 0.000 0.970 1240 D CA 0.568 54.507 54.000 -0.101 0.000 0.851 1240 D CB -0.177 40.581 40.800 -0.069 0.000 0.943 1240 D HN 0.344 nan 8.370 nan 0.000 0.488 1241 L N -0.053 121.072 121.223 -0.164 0.000 2.044 1241 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 1241 L C 2.599 179.272 176.870 -0.328 0.000 1.075 1241 L CA 0.660 55.395 54.840 -0.175 0.000 0.747 1241 L CB -0.225 41.763 42.059 -0.119 0.000 0.903 1241 L HN -0.025 nan 8.230 nan 0.000 0.435 1242 M N -0.463 118.846 119.600 -0.486 0.000 2.080 1242 M HA -0.279 4.201 4.480 -0.000 0.000 0.260 1242 M C 2.946 178.616 176.300 -1.051 0.000 1.068 1242 M CA 2.367 57.059 55.300 -1.013 0.000 1.109 1242 M CB -0.650 31.299 32.600 -1.085 0.000 1.342 1242 M HN 0.295 nan 8.290 nan 0.000 0.405 1243 R N 1.313 121.488 120.500 -0.542 0.000 2.112 1243 R HA -0.209 4.130 4.340 -0.000 0.000 0.242 1243 R C 1.839 177.951 176.300 -0.313 0.000 1.137 1243 R CA 2.508 58.411 56.100 -0.329 0.000 0.944 1243 R CB -2.099 28.106 30.300 -0.157 0.000 0.857 1243 R HN 0.755 nan 8.270 nan 0.000 0.435 1244 M N -0.869 118.573 119.600 -0.263 0.000 2.374 1244 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 1244 M C 2.172 178.352 176.300 -0.200 0.000 1.067 1244 M CA 1.717 56.907 55.300 -0.183 0.000 1.103 1244 M CB -0.658 31.863 32.600 -0.131 0.000 1.402 1244 M HN 0.265 nan 8.290 nan 0.000 0.444 1245 C N -0.140 118.948 119.300 -0.354 0.000 2.495 1245 C HA 0.022 4.482 4.460 -0.000 0.000 0.275 1245 C C 1.301 176.158 174.990 -0.222 0.000 1.392 1245 C CA -0.194 58.642 59.018 -0.305 0.000 1.766 1245 C CB -1.014 26.476 27.740 -0.417 0.000 1.933 1245 C HN 0.747 nan 8.230 nan 0.000 0.519 1246 W N 1.223 122.281 121.300 -0.403 0.000 3.086 1246 W HA 0.336 4.996 4.660 -0.000 0.000 0.436 1246 W C 0.257 176.653 176.519 -0.204 0.000 0.939 1246 W CA -0.777 56.190 57.345 -0.631 0.000 2.108 1246 W CB -1.100 27.799 29.460 -0.935 0.000 1.093 1246 W HN 0.338 nan 8.180 nan 0.000 0.783 1247 Q N 0.345 120.225 119.800 0.134 0.000 2.313 1247 Q HA -0.018 4.322 4.340 -0.000 0.000 0.266 1247 Q C 1.114 177.291 176.000 0.294 0.000 0.989 1247 Q CA -0.088 55.804 55.803 0.148 0.000 0.890 1247 Q CB 0.839 29.629 28.738 0.086 0.000 1.200 1247 Q HN 0.229 nan 8.270 nan 0.000 0.396 1248 F N 2.875 122.922 119.950 0.161 0.000 2.134 1248 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 1248 F C 1.011 176.859 175.800 0.081 0.000 1.097 1248 F CA 1.039 59.125 58.000 0.142 0.000 1.264 1248 F CB 0.229 39.277 39.000 0.080 0.000 1.001 1248 F HN 0.544 nan 8.300 nan 0.000 0.479 1249 N N 1.726 120.562 118.700 0.226 0.000 2.411 1249 N HA 0.100 4.840 4.740 -0.000 0.000 0.259 1249 N C -1.721 173.815 175.510 0.043 0.000 1.103 1249 N CA -2.260 50.857 53.050 0.111 0.000 0.954 1249 N CB 0.873 39.440 38.487 0.134 0.000 1.085 1249 N HN -0.029 nan 8.380 nan 0.000 0.485 1250 P HA -0.163 nan 4.420 nan 0.000 0.219 1250 P C 0.031 177.340 177.300 0.014 0.000 1.146 1250 P CA 1.425 64.525 63.100 0.000 0.000 0.808 1250 P CB 0.199 31.876 31.700 -0.037 0.000 0.779 1251 N N -1.162 117.547 118.700 0.016 0.000 2.512 1251 N HA 0.031 4.771 4.740 -0.000 0.000 0.183 1251 N C 1.678 177.197 175.510 0.015 0.000 1.073 1251 N CA 0.346 53.405 53.050 0.015 0.000 0.911 1251 N CB -0.220 38.278 38.487 0.018 0.000 0.964 1251 N HN 0.046 nan 8.380 nan 0.000 0.447 1252 M N 0.462 120.078 119.600 0.025 0.000 2.514 1252 M HA 0.085 4.565 4.480 -0.000 0.000 0.258 1252 M C 0.270 176.572 176.300 0.003 0.000 1.119 1252 M CA 0.514 55.827 55.300 0.021 0.000 1.111 1252 M CB -0.089 32.535 32.600 0.041 0.000 1.390 1252 M HN 0.008 nan 8.290 nan 0.000 0.475 1253 R N 1.561 122.064 120.500 0.004 0.000 2.539 1253 R HA 0.213 4.553 4.340 -0.000 0.000 0.275 1253 R C -2.067 174.193 176.300 -0.066 0.000 1.077 1253 R CA -1.279 54.806 56.100 -0.025 0.000 1.097 1253 R CB -0.159 30.143 30.300 0.002 0.000 1.018 1253 R HN 0.074 nan 8.270 nan 0.000 0.483 1254 P HA 0.018 nan 4.420 nan 0.000 0.274 1254 P C -0.448 176.726 177.300 -0.210 0.000 1.256 1254 P CA -0.352 62.672 63.100 -0.127 0.000 0.795 1254 P CB 0.776 32.400 31.700 -0.127 0.000 1.038 1255 T N -2.527 111.926 114.554 -0.168 0.000 2.881 1255 T HA 0.308 4.658 4.350 -0.000 0.000 0.278 1255 T C 1.066 175.613 174.700 -0.256 0.000 0.982 1255 T CA -0.364 61.616 62.100 -0.199 0.000 0.989 1255 T CB 0.097 68.948 68.868 -0.028 0.000 1.058 1255 T HN 0.102 nan 8.240 nan 0.000 0.529 1256 F N -0.029 119.889 119.950 -0.054 0.000 2.234 1256 F HA 0.125 4.652 4.527 -0.000 0.000 0.299 1256 F C 2.214 178.003 175.800 -0.019 0.000 1.087 1256 F CA 0.803 58.733 58.000 -0.118 0.000 1.340 1256 F CB -0.762 38.181 39.000 -0.096 0.000 1.031 1256 F HN 0.402 nan 8.300 nan 0.000 0.500 1257 L N -0.430 120.940 121.223 0.244 0.000 2.141 1257 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 1257 L C 2.220 179.198 176.870 0.181 0.000 1.094 1257 L CA 1.293 56.310 54.840 0.294 0.000 0.763 1257 L CB -0.556 41.681 42.059 0.297 0.000 0.908 1257 L HN 0.177 nan 8.230 nan 0.000 0.437 1258 E N -0.009 120.234 120.200 0.073 0.000 2.072 1258 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 1258 E C 2.259 178.832 176.600 -0.044 0.000 0.985 1258 E CA 0.838 57.248 56.400 0.017 0.000 0.801 1258 E CB 0.104 29.791 29.700 -0.022 0.000 0.750 1258 E HN 0.319 nan 8.360 nan 0.000 0.452 1259 I N 0.946 121.470 120.570 -0.076 0.000 2.127 1259 I HA -0.240 3.929 4.170 -0.000 0.000 0.241 1259 I C 2.453 178.496 176.117 -0.123 0.000 1.075 1259 I CA 1.186 62.429 61.300 -0.095 0.000 1.334 1259 I CB -1.117 36.797 38.000 -0.142 0.000 1.040 1259 I HN 0.023 nan 8.210 nan 0.000 0.405 1260 V N 1.245 121.063 119.914 -0.160 0.000 2.332 1260 V HA -0.289 3.830 4.120 -0.000 0.000 0.248 1260 V C 2.286 178.048 176.094 -0.553 0.000 1.055 1260 V CA 2.238 64.328 62.300 -0.352 0.000 1.038 1260 V CB -1.131 30.448 31.823 -0.407 0.000 0.651 1260 V HN 0.429 nan 8.190 nan 0.000 0.450 1261 N N 0.068 118.490 118.700 -0.464 0.000 2.166 1261 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 1261 N C 1.602 177.024 175.510 -0.147 0.000 1.019 1261 N CA 1.151 54.035 53.050 -0.276 0.000 0.856 1261 N CB -0.245 38.279 38.487 0.063 0.000 0.993 1261 N HN 0.367 nan 8.380 nan 0.000 0.426 1262 L N 0.135 121.285 121.223 -0.121 0.000 2.083 1262 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 1262 L C 1.461 178.270 176.870 -0.101 0.000 1.083 1262 L CA 1.521 56.311 54.840 -0.084 0.000 0.752 1262 L CB -0.207 41.810 42.059 -0.069 0.000 0.899 1262 L HN 0.287 nan 8.230 nan 0.000 0.433 1263 L N -0.912 120.221 121.223 -0.150 0.000 2.585 1263 L HA 0.027 4.367 4.340 -0.000 0.000 0.226 1263 L C 2.244 178.998 176.870 -0.194 0.000 1.113 1263 L CA 0.337 55.081 54.840 -0.161 0.000 0.876 1263 L CB -0.510 41.443 42.059 -0.176 0.000 1.072 1263 L HN 0.275 nan 8.230 nan 0.000 0.468 1264 K N -0.198 120.080 120.400 -0.205 0.000 2.228 1264 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 1264 K C 0.649 177.224 176.600 -0.042 0.000 1.045 1264 K CA 1.859 58.068 56.287 -0.130 0.000 0.931 1264 K CB -0.255 32.219 32.500 -0.043 0.000 0.727 1264 K HN 0.231 nan 8.250 nan 0.000 0.458 1265 D N 1.096 121.472 120.400 -0.039 0.000 2.340 1265 D HA -0.004 4.636 4.640 -0.000 0.000 0.220 1265 D C -0.047 176.229 176.300 -0.039 0.000 1.039 1265 D CA 0.501 54.491 54.000 -0.017 0.000 0.866 1265 D CB 0.290 41.087 40.800 -0.006 0.000 0.913 1265 D HN 0.336 nan 8.370 nan 0.000 0.523 1266 D N 0.606 120.963 120.400 -0.072 0.000 2.696 1266 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 1266 D C 0.512 176.757 176.300 -0.090 0.000 1.319 1266 D CA -0.037 53.920 54.000 -0.071 0.000 0.826 1266 D CB 1.379 42.136 40.800 -0.071 0.000 1.086 1266 D HN 0.129 nan 8.370 nan 0.000 0.481 1267 L N -0.398 120.766 121.223 -0.099 0.000 2.271 1267 L HA 0.339 4.679 4.340 -0.000 0.000 0.265 1267 L C 0.700 177.581 176.870 0.019 0.000 1.013 1267 L CA -1.045 53.736 54.840 -0.098 0.000 0.820 1267 L CB 1.668 43.546 42.059 -0.302 0.000 1.352 1267 L HN 0.080 nan 8.230 nan 0.000 0.443 1268 H N 1.238 120.318 119.070 0.017 0.000 2.871 1268 H HA 0.043 4.599 4.556 -0.000 0.000 0.355 1268 H C -1.921 173.461 175.328 0.090 0.000 1.092 1268 H CA -0.951 55.137 56.048 0.067 0.000 1.420 1268 H CB 1.755 31.581 29.762 0.106 0.000 1.400 1268 H HN 0.263 nan 8.280 nan 0.000 0.604 1269 P HA -0.159 nan 4.420 nan 0.000 0.219 1269 P C 1.358 178.741 177.300 0.139 0.000 1.146 1269 P CA 1.861 64.945 63.100 -0.027 0.000 0.808 1269 P CB 0.138 31.753 31.700 -0.142 0.000 0.779 1270 S N -2.452 113.478 115.700 0.383 0.000 2.522 1270 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 1270 S C 1.747 176.427 174.600 0.133 0.000 0.986 1270 S CA -0.020 58.312 58.200 0.220 0.000 0.929 1270 S CB -1.507 61.807 63.200 0.190 0.000 0.769 1270 S HN -0.014 nan 8.310 nan 0.000 0.529 1271 F N 3.897 123.899 119.950 0.086 0.000 2.065 1271 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 1271 F C -1.098 174.682 175.800 -0.034 0.000 1.112 1271 F CA 1.193 59.234 58.000 0.067 0.000 1.212 1271 F CB -1.257 37.799 39.000 0.094 0.000 0.975 1271 F HN 0.221 nan 8.300 nan 0.000 0.476 1272 P HA -0.128 nan 4.420 nan 0.000 0.222 1272 P C 1.233 178.397 177.300 -0.227 0.000 1.147 1272 P CA 1.331 64.114 63.100 -0.530 0.000 0.790 1272 P CB -0.061 31.321 31.700 -0.530 0.000 0.780 1273 E N -0.654 119.451 120.200 -0.160 0.000 2.158 1273 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 1273 E C 1.820 178.312 176.600 -0.180 0.000 0.982 1273 E CA 1.355 57.678 56.400 -0.129 0.000 0.823 1273 E CB -0.428 29.211 29.700 -0.102 0.000 0.766 1273 E HN 0.286 nan 8.360 nan 0.000 0.468 1274 V N -1.348 118.399 119.914 -0.279 0.000 3.635 1274 V HA 0.171 4.290 4.120 -0.000 0.000 0.266 1274 V C 1.150 177.082 176.094 -0.271 0.000 1.316 1274 V CA 0.157 62.233 62.300 -0.373 0.000 1.060 1274 V CB 0.002 31.339 31.823 -0.811 0.000 0.820 1274 V HN 0.059 nan 8.190 nan 0.000 0.447 1275 S N 0.301 115.822 115.700 -0.298 0.000 2.573 1275 S HA 0.211 4.681 4.470 -0.000 0.000 0.277 1275 S C 0.676 175.348 174.600 0.120 0.000 1.346 1275 S CA 0.306 58.421 58.200 -0.142 0.000 1.034 1275 S CB 0.601 63.548 63.200 -0.422 0.000 0.879 1275 S HN 0.504 nan 8.310 nan 0.000 0.528 1276 F N 2.442 122.460 119.950 0.113 0.000 2.234 1276 F HA 0.078 4.605 4.527 -0.000 0.000 0.296 1276 F C 1.614 177.519 175.800 0.176 0.000 1.089 1276 F CA 0.503 58.588 58.000 0.141 0.000 1.343 1276 F CB -0.675 38.455 39.000 0.217 0.000 1.040 1276 F HN 0.731 nan 8.300 nan 0.000 0.498 1277 F N 1.147 121.065 119.950 -0.053 0.000 2.087 1277 F HA -0.281 4.246 4.527 -0.000 0.000 0.299 1277 F C 2.153 177.767 175.800 -0.310 0.000 1.100 1277 F CA 2.509 60.384 58.000 -0.209 0.000 1.226 1277 F CB -0.774 38.215 39.000 -0.017 0.000 0.983 1277 F HN 0.095 nan 8.300 nan 0.000 0.479 1278 H N -0.791 118.298 119.070 0.031 0.000 2.548 1278 H HA 0.175 4.731 4.556 -0.000 0.000 0.265 1278 H C 1.263 176.511 175.328 -0.133 0.000 0.969 1278 H CA 0.429 56.442 56.048 -0.058 0.000 1.155 1278 H CB -0.392 29.423 29.762 0.089 0.000 1.394 1278 H HN 0.167 nan 8.280 nan 0.000 0.570 1279 S N 0.267 115.928 115.700 -0.066 0.000 2.584 1279 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 1279 S C 1.694 176.222 174.600 -0.121 0.000 1.346 1279 S CA 0.027 58.189 58.200 -0.063 0.000 1.018 1279 S CB 1.245 64.442 63.200 -0.005 0.000 0.899 1279 S HN 0.543 nan 8.310 nan 0.000 0.542 1280 E N 0.338 120.507 120.200 -0.052 0.000 2.268 1280 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 1280 E C 1.712 178.288 176.600 -0.041 0.000 0.995 1280 E CA 1.380 57.750 56.400 -0.049 0.000 0.836 1280 E CB -0.916 28.776 29.700 -0.013 0.000 0.763 1280 E HN 0.950 nan 8.360 nan 0.000 0.491 1281 E N 0.333 120.536 120.200 0.004 0.000 2.338 1281 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 1281 E C 0.659 177.272 176.600 0.022 0.000 1.007 1281 E CA 0.550 57.010 56.400 0.100 0.000 0.849 1281 E CB -0.105 29.773 29.700 0.297 0.000 0.774 1281 E HN 0.391 nan 8.360 nan 0.000 0.506 1282 N N 0.627 119.148 118.700 -0.299 0.000 2.555 1282 N HA 0.143 4.883 4.740 -0.000 0.000 0.244 1282 N C -0.943 174.413 175.510 -0.256 0.000 1.114 1282 N CA 0.113 52.868 53.050 -0.492 0.000 0.963 1282 N CB 0.650 38.539 38.487 -0.997 0.000 1.276 1282 N HN 0.139 nan 8.380 nan 0.000 0.510 1283 K N 0.000 120.335 120.400 -0.108 0.000 2.780 1283 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1283 K CA 0.000 56.240 56.287 -0.078 0.000 0.838 1283 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543