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_B 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 0.000 176.348 176.300 0.079 0.000 2.045 987 D CA 0.000 54.054 54.000 0.091 0.000 0.868 987 D CB 0.000 40.864 40.800 0.107 0.000 0.688 988 E N 2.034 122.268 120.200 0.056 0.000 2.409 988 E HA -0.081 4.269 4.350 -0.000 0.000 0.198 988 E C 1.218 177.712 176.600 -0.177 0.000 1.024 988 E CA 0.897 57.239 56.400 -0.097 0.000 0.861 988 E CB -0.402 29.176 29.700 -0.203 0.000 0.788 988 E HN 0.628 nan 8.360 nan 0.000 0.521 989 W N 0.053 121.334 121.300 -0.032 0.000 3.114 989 W HA 0.314 4.974 4.660 -0.000 0.000 0.279 989 W C 0.801 177.303 176.519 -0.028 0.000 1.277 989 W CA -0.126 57.199 57.345 -0.035 0.000 1.630 989 W CB 0.559 29.989 29.460 -0.049 0.000 1.087 989 W HN 0.149 nan 8.180 nan 0.000 0.637 990 E N 1.300 121.599 120.200 0.166 0.000 2.417 990 E HA 0.197 4.547 4.350 -0.000 0.000 0.261 990 E C -0.601 176.035 176.600 0.061 0.000 1.000 990 E CA 0.254 56.712 56.400 0.097 0.000 0.919 990 E CB 0.580 30.318 29.700 0.064 0.000 0.955 990 E HN -0.184 nan 8.360 nan 0.000 0.455 991 V N 4.150 124.099 119.914 0.058 0.000 2.628 991 V HA 0.281 4.401 4.120 -0.000 0.000 0.306 991 V C -0.018 176.093 176.094 0.027 0.000 1.045 991 V CA -0.903 61.419 62.300 0.037 0.000 0.905 991 V CB 1.898 33.748 31.823 0.045 0.000 0.997 991 V HN 0.769 nan 8.190 nan 0.000 0.436 992 S N 3.476 119.185 115.700 0.016 0.000 2.525 992 S HA 0.091 4.561 4.470 -0.000 0.000 0.285 992 S C 1.318 175.924 174.600 0.011 0.000 1.283 992 S CA -0.061 58.145 58.200 0.011 0.000 1.072 992 S CB 0.172 63.375 63.200 0.004 0.000 0.867 992 S HN 0.757 nan 8.310 nan 0.000 0.492 993 R N 3.152 123.658 120.500 0.010 0.000 2.127 993 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 993 R C 2.205 178.505 176.300 -0.000 0.000 1.134 993 R CA 1.981 58.085 56.100 0.006 0.000 0.975 993 R CB -0.644 29.658 30.300 0.004 0.000 0.865 993 R HN 0.868 nan 8.270 nan 0.000 0.447 994 E N 1.162 121.361 120.200 -0.001 0.000 2.338 994 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 994 E C 1.541 178.139 176.600 -0.003 0.000 1.007 994 E CA 1.386 57.784 56.400 -0.004 0.000 0.849 994 E CB -0.332 29.365 29.700 -0.004 0.000 0.774 994 E HN 0.536 nan 8.360 nan 0.000 0.506 995 K N -0.692 119.708 120.400 -0.000 0.000 2.426 995 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 995 K C 0.006 176.608 176.600 0.003 0.000 1.028 995 K CA -0.110 56.178 56.287 0.001 0.000 1.047 995 K CB 0.457 32.959 32.500 0.003 0.000 0.821 995 K HN 0.269 nan 8.250 nan 0.000 0.513 996 I N 1.420 121.991 120.570 0.002 0.000 2.404 996 I HA 0.179 4.349 4.170 -0.000 0.000 0.293 996 I C -0.298 175.813 176.117 -0.010 0.000 0.992 996 I CA -0.264 61.037 61.300 0.002 0.000 1.149 996 I CB 1.721 39.725 38.000 0.008 0.000 1.315 996 I HN -0.187 nan 8.210 nan 0.000 0.446 997 T N 6.866 121.415 114.554 -0.009 0.000 2.840 997 T HA 0.518 4.868 4.350 -0.000 0.000 0.287 997 T C 0.015 174.703 174.700 -0.020 0.000 0.991 997 T CA -0.521 61.567 62.100 -0.019 0.000 0.964 997 T CB 1.360 70.222 68.868 -0.011 0.000 0.954 997 T HN 0.241 nan 8.240 nan 0.000 0.438 998 L N 4.294 125.484 121.223 -0.055 0.000 2.360 998 L HA 0.344 4.684 4.340 -0.000 0.000 0.276 998 L C 1.095 177.962 176.870 -0.006 0.000 1.121 998 L CA -0.362 54.442 54.840 -0.059 0.000 0.845 998 L CB 0.520 42.431 42.059 -0.246 0.000 1.143 998 L HN 0.621 nan 8.230 nan 0.000 0.452 999 L N 2.869 124.121 121.223 0.048 0.000 2.286 999 L HA 0.271 4.611 4.340 -0.000 0.000 0.203 999 L C 1.000 177.921 176.870 0.085 0.000 1.068 999 L CA 0.317 55.189 54.840 0.052 0.000 0.811 999 L CB -0.115 41.971 42.059 0.044 0.000 0.989 999 L HN 0.774 nan 8.230 nan 0.000 0.467 1000 R N 0.260 120.845 120.500 0.141 0.000 2.712 1000 R HA 0.477 4.817 4.340 -0.000 0.000 0.272 1000 R C -1.175 175.245 176.300 0.199 0.000 1.032 1000 R CA -0.720 55.473 56.100 0.155 0.000 0.874 1000 R CB 0.269 30.619 30.300 0.083 0.000 1.256 1000 R HN 0.057 nan 8.270 nan 0.000 0.468 1001 E N 0.576 120.839 120.200 0.106 0.000 2.354 1001 E HA 0.358 4.708 4.350 -0.000 0.000 0.269 1001 E C 0.230 176.790 176.600 -0.067 0.000 1.036 1001 E CA -0.111 56.236 56.400 -0.088 0.000 0.876 1001 E CB 1.066 30.692 29.700 -0.123 0.000 1.009 1001 E HN 0.497 nan 8.360 nan 0.000 0.416 1002 L N 1.508 122.661 121.223 -0.118 0.000 2.609 1002 L HA 0.339 4.679 4.340 -0.000 0.000 0.230 1002 L C 0.840 177.674 176.870 -0.061 0.000 1.064 1002 L CA 0.204 55.013 54.840 -0.053 0.000 0.873 1002 L CB 0.571 42.616 42.059 -0.024 0.000 1.139 1002 L HN 0.733 nan 8.230 nan 0.000 0.490 1003 G N -0.237 108.495 108.800 -0.114 0.000 2.361 1003 G HA2 0.048 4.007 3.960 -0.000 0.000 0.305 1003 G HA3 0.048 4.007 3.960 -0.000 0.000 0.305 1003 G C -1.857 172.978 174.900 -0.108 0.000 1.367 1003 G CA -0.782 44.266 45.100 -0.087 0.000 0.951 1003 G HN -0.154 nan 8.290 nan 0.000 0.615 1004 Q N -0.108 119.643 119.800 -0.081 0.000 2.286 1004 Q HA 0.616 4.955 4.340 -0.000 0.000 0.257 1004 Q C 0.764 176.719 176.000 -0.074 0.000 0.941 1004 Q CA 0.944 56.699 55.803 -0.079 0.000 0.912 1004 Q CB 1.078 29.780 28.738 -0.061 0.000 1.192 1004 Q HN 1.115 nan 8.270 nan 0.000 0.410 1005 G N 0.952 109.708 108.800 -0.074 0.000 2.702 1005 G HA2 0.236 4.196 3.960 -0.000 0.000 0.254 1005 G HA3 0.236 4.196 3.960 -0.000 0.000 0.254 1005 G C 0.314 175.111 174.900 -0.172 0.000 1.380 1005 G CA -0.196 44.850 45.100 -0.091 0.000 1.042 1005 G HN 0.657 nan 8.290 nan 0.000 0.557 1006 S N -0.920 114.593 115.700 -0.312 0.000 2.368 1006 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 1006 S C 1.486 175.651 174.600 -0.724 0.000 1.030 1006 S CA 1.490 59.299 58.200 -0.652 0.000 0.999 1006 S CB -0.303 62.229 63.200 -1.115 0.000 0.844 1006 S HN 0.431 nan 8.310 nan 0.000 0.459 1007 F N -0.122 119.853 119.950 0.042 0.000 2.746 1007 F HA 0.486 5.013 4.527 -0.000 0.000 0.320 1007 F C 1.016 176.761 175.800 -0.092 0.000 1.097 1007 F CA -0.096 57.894 58.000 -0.017 0.000 1.195 1007 F CB 1.055 40.059 39.000 0.005 0.000 1.056 1007 F HN 0.256 nan 8.300 nan 0.000 0.562 1008 G N 0.136 108.962 108.800 0.045 0.000 2.342 1008 G HA2 0.372 4.332 3.960 -0.000 0.000 0.297 1008 G HA3 0.372 4.332 3.960 -0.000 0.000 0.297 1008 G C -1.816 173.071 174.900 -0.021 0.000 1.313 1008 G CA -1.104 43.993 45.100 -0.005 0.000 0.830 1008 G HN -0.153 nan 8.290 nan 0.000 0.506 1009 M N 0.927 120.497 119.600 -0.050 0.000 2.238 1009 M HA 0.508 4.988 4.480 -0.000 0.000 0.350 1009 M C -0.228 175.952 176.300 -0.202 0.000 1.321 1009 M CA -0.226 54.959 55.300 -0.192 0.000 1.097 1009 M CB 0.751 33.148 32.600 -0.339 0.000 1.713 1009 M HN 0.324 nan 8.290 nan 0.000 0.455 1010 V N 7.469 127.241 119.914 -0.237 0.000 2.427 1010 V HA 0.405 4.525 4.120 -0.000 0.000 0.286 1010 V C -0.782 175.167 176.094 -0.242 0.000 1.034 1010 V CA -0.481 61.761 62.300 -0.098 0.000 0.893 1010 V CB 0.769 32.578 31.823 -0.024 0.000 0.982 1010 V HN 0.776 nan 8.190 nan 0.000 0.452 1011 Y N 1.548 121.876 120.300 0.046 0.000 2.567 1011 Y HA 0.521 5.071 4.550 -0.000 0.000 0.333 1011 Y C 0.360 176.280 175.900 0.032 0.000 1.106 1011 Y CA -0.942 57.180 58.100 0.035 0.000 1.157 1011 Y CB 1.328 39.809 38.460 0.034 0.000 1.277 1011 Y HN 0.571 nan 8.280 nan 0.000 0.490 1012 E N 0.602 120.922 120.200 0.200 0.000 2.175 1012 E HA 0.602 4.952 4.350 -0.000 0.000 0.278 1012 E C -0.714 175.954 176.600 0.113 0.000 0.969 1012 E CA -0.474 55.996 56.400 0.116 0.000 0.796 1012 E CB 1.134 30.878 29.700 0.073 0.000 1.104 1012 E HN 0.887 nan 8.360 nan 0.000 0.395 1013 G N 2.790 111.638 108.800 0.079 0.000 2.680 1013 G HA2 0.233 4.193 3.960 -0.000 0.000 0.290 1013 G HA3 0.233 4.193 3.960 -0.000 0.000 0.290 1013 G C -1.288 173.632 174.900 0.034 0.000 1.355 1013 G CA -0.676 44.456 45.100 0.053 0.000 0.903 1013 G HN 0.565 nan 8.290 nan 0.000 0.474 1014 N N -0.088 118.625 118.700 0.021 0.000 2.372 1014 N HA 0.549 5.289 4.740 -0.000 0.000 0.285 1014 N C -0.820 174.697 175.510 0.012 0.000 1.008 1014 N CA -0.407 52.651 53.050 0.014 0.000 0.880 1014 N CB 1.920 40.412 38.487 0.008 0.000 1.239 1014 N HN 0.630 nan 8.380 nan 0.000 0.484 1015 A N 3.723 126.550 122.820 0.012 0.000 2.291 1015 A HA 0.422 4.742 4.320 -0.000 0.000 0.311 1015 A C -0.200 177.387 177.584 0.005 0.000 1.224 1015 A CA -0.859 51.185 52.037 0.011 0.000 0.821 1015 A CB 0.478 19.490 19.000 0.019 0.000 1.172 1015 A HN 0.812 nan 8.150 nan 0.000 0.494 1016 R N 2.456 122.957 120.500 0.002 0.000 2.297 1016 R HA 0.472 4.812 4.340 -0.000 0.000 0.308 1016 R C -1.205 175.092 176.300 -0.004 0.000 1.029 1016 R CA -0.436 55.663 56.100 -0.002 0.000 0.929 1016 R CB 0.429 30.727 30.300 -0.004 0.000 1.046 1016 R HN 0.581 nan 8.270 nan 0.000 0.461 1017 D N 2.865 123.261 120.400 -0.008 0.000 2.737 1017 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 1017 D C 0.538 176.829 176.300 -0.014 0.000 1.157 1017 D CA 1.418 55.410 54.000 -0.012 0.000 0.694 1017 D CB -0.775 40.017 40.800 -0.013 0.000 1.021 1017 D HN 0.796 nan 8.370 nan 0.000 0.420 1018 I N -3.707 116.856 120.570 -0.012 0.000 4.288 1018 I HA 0.260 4.430 4.170 -0.000 0.000 0.331 1018 I C 0.609 176.711 176.117 -0.025 0.000 1.322 1018 I CA -0.094 61.197 61.300 -0.013 0.000 1.149 1018 I CB 0.552 38.555 38.000 0.005 0.000 1.112 1018 I HN -0.082 nan 8.210 nan 0.000 0.403 1019 I N 2.781 123.338 120.570 -0.022 0.000 2.439 1019 I HA 0.274 4.444 4.170 -0.000 0.000 0.283 1019 I C -0.208 175.892 176.117 -0.029 0.000 1.023 1019 I CA -0.701 60.582 61.300 -0.028 0.000 1.100 1019 I CB 1.763 39.753 38.000 -0.015 0.000 1.238 1019 I HN 0.074 nan 8.210 nan 0.000 0.445 1020 K N 4.971 125.349 120.400 -0.038 0.000 2.491 1020 K HA 0.132 4.452 4.320 -0.000 0.000 0.279 1020 K C 1.101 177.685 176.600 -0.026 0.000 1.026 1020 K CA 1.457 57.723 56.287 -0.034 0.000 1.070 1020 K CB 0.246 32.722 32.500 -0.041 0.000 0.887 1020 K HN 0.945 nan 8.250 nan 0.000 0.481 1021 G N 2.960 111.747 108.800 -0.022 0.000 2.194 1021 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 1021 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 1021 G C -0.158 174.733 174.900 -0.016 0.000 0.987 1021 G CA 0.300 45.389 45.100 -0.018 0.000 0.635 1021 G HN 0.642 nan 8.290 nan 0.000 0.520 1022 E N 0.012 120.202 120.200 -0.016 0.000 2.220 1022 E HA 0.717 5.067 4.350 -0.000 0.000 0.256 1022 E C 1.233 177.826 176.600 -0.013 0.000 0.881 1022 E CA 0.117 56.508 56.400 -0.014 0.000 0.766 1022 E CB 1.008 30.700 29.700 -0.014 0.000 1.187 1022 E HN 0.462 nan 8.360 nan 0.000 0.419 1023 A N 4.531 127.343 122.820 -0.012 0.000 1.902 1023 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 1023 A C 0.541 178.119 177.584 -0.009 0.000 1.181 1023 A CA 1.210 53.240 52.037 -0.011 0.000 0.623 1023 A CB 0.040 19.034 19.000 -0.010 0.000 0.818 1023 A HN 0.660 nan 8.150 nan 0.000 0.443 1024 E N -1.476 118.719 120.200 -0.009 0.000 2.314 1024 E HA 0.530 4.880 4.350 -0.000 0.000 0.272 1024 E C -1.550 175.047 176.600 -0.006 0.000 0.884 1024 E CA -0.520 55.877 56.400 -0.006 0.000 0.753 1024 E CB 2.211 31.907 29.700 -0.006 0.000 1.213 1024 E HN 0.141 nan 8.360 nan 0.000 0.432 1025 T N 1.925 116.478 114.554 -0.002 0.000 2.881 1025 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 1025 T C -0.552 174.151 174.700 0.004 0.000 1.000 1025 T CA -0.966 61.134 62.100 -0.000 0.000 0.978 1025 T CB 1.148 70.018 68.868 0.004 0.000 0.997 1025 T HN 0.100 nan 8.240 nan 0.000 0.443 1026 R N 2.311 122.812 120.500 0.001 0.000 2.340 1026 R HA 0.619 4.958 4.340 -0.000 0.000 0.300 1026 R C 0.053 176.362 176.300 0.015 0.000 1.069 1026 R CA -0.313 55.790 56.100 0.006 0.000 0.984 1026 R CB 0.778 31.076 30.300 -0.004 0.000 1.003 1026 R HN 0.646 nan 8.270 nan 0.000 0.459 1027 V N -1.211 118.719 119.914 0.027 0.000 3.167 1027 V HA 0.928 5.048 4.120 -0.000 0.000 0.310 1027 V C -0.676 175.450 176.094 0.052 0.000 1.207 1027 V CA -1.346 60.977 62.300 0.038 0.000 1.059 1027 V CB 2.135 33.985 31.823 0.045 0.000 1.079 1027 V HN 0.697 nan 8.190 nan 0.000 0.446 1028 A N 0.857 123.714 122.820 0.061 0.000 2.318 1028 A HA 0.855 5.175 4.320 -0.000 0.000 0.324 1028 A C -0.715 176.930 177.584 0.102 0.000 1.170 1028 A CA -0.640 51.444 52.037 0.078 0.000 0.810 1028 A CB 1.317 20.354 19.000 0.061 0.000 1.198 1028 A HN 1.388 nan 8.150 nan 0.000 0.484 1029 V N 3.371 123.372 119.914 0.145 0.000 2.409 1029 V HA 0.332 4.452 4.120 -0.000 0.000 0.291 1029 V C -0.029 176.208 176.094 0.238 0.000 1.020 1029 V CA -0.639 61.765 62.300 0.173 0.000 0.848 1029 V CB 1.404 33.327 31.823 0.166 0.000 0.990 1029 V HN 0.896 nan 8.190 nan 0.000 0.430 1030 K N 2.989 123.533 120.400 0.241 0.000 2.156 1030 K HA 0.727 5.047 4.320 -0.000 0.000 0.271 1030 K C 0.060 176.939 176.600 0.464 0.000 0.995 1030 K CA -0.398 56.090 56.287 0.335 0.000 0.890 1030 K CB 1.884 34.594 32.500 0.350 0.000 1.073 1030 K HN 0.905 nan 8.250 nan 0.000 0.454 1031 T N -2.069 112.693 114.554 0.347 0.000 2.901 1031 T HA 0.458 4.808 4.350 -0.000 0.000 0.293 1031 T C -0.974 173.570 174.700 -0.260 0.000 1.084 1031 T CA -0.880 61.296 62.100 0.126 0.000 1.008 1031 T CB 1.596 70.574 68.868 0.184 0.000 1.170 1031 T HN 0.276 nan 8.240 nan 0.000 0.509 1032 V N 1.761 121.340 119.914 -0.559 0.000 2.513 1032 V HA 0.482 4.602 4.120 -0.000 0.000 0.299 1032 V C -0.446 175.521 176.094 -0.213 0.000 1.035 1032 V CA -0.985 60.988 62.300 -0.545 0.000 0.889 1032 V CB 1.358 32.647 31.823 -0.891 0.000 0.988 1032 V HN 0.961 nan 8.190 nan 0.000 0.440 1033 N N 4.419 123.055 118.700 -0.107 0.000 2.416 1033 N HA 0.129 4.869 4.740 -0.000 0.000 0.246 1033 N C 1.241 176.719 175.510 -0.053 0.000 1.260 1033 N CA 0.754 53.775 53.050 -0.047 0.000 0.897 1033 N CB 1.089 39.567 38.487 -0.015 0.000 1.110 1033 N HN 0.912 nan 8.380 nan 0.000 0.439 1034 E N 0.113 120.295 120.200 -0.030 0.000 2.268 1034 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 1034 E C 1.548 178.134 176.600 -0.022 0.000 0.995 1034 E CA 1.416 57.800 56.400 -0.027 0.000 0.836 1034 E CB -0.549 29.143 29.700 -0.014 0.000 0.763 1034 E HN 0.646 nan 8.360 nan 0.000 0.491 1035 S N -0.822 114.869 115.700 -0.015 0.000 2.575 1035 S HA 0.593 5.063 4.470 -0.000 0.000 0.215 1035 S C 1.244 175.841 174.600 -0.005 0.000 0.966 1035 S CA 0.240 58.436 58.200 -0.006 0.000 0.911 1035 S CB -0.070 63.131 63.200 0.002 0.000 0.780 1035 S HN 0.834 nan 8.310 nan 0.000 0.514 1036 A N 2.624 125.434 122.820 -0.017 0.000 2.511 1036 A HA 0.525 4.845 4.320 -0.000 0.000 0.242 1036 A C 0.863 178.433 177.584 -0.023 0.000 1.069 1036 A CA -0.064 51.965 52.037 -0.014 0.000 0.763 1036 A CB -0.029 18.940 19.000 -0.052 0.000 1.001 1036 A HN 0.721 nan 8.150 nan 0.000 0.498 1037 S N 2.083 117.776 115.700 -0.011 0.000 2.634 1037 S HA 0.256 4.726 4.470 -0.000 0.000 0.261 1037 S C 1.147 175.725 174.600 -0.037 0.000 1.271 1037 S CA 0.057 58.248 58.200 -0.015 0.000 0.985 1037 S CB 0.333 63.533 63.200 0.001 0.000 0.968 1037 S HN 1.163 nan 8.310 nan 0.000 0.568 1038 L N 1.361 122.566 121.223 -0.031 0.000 2.012 1038 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 1038 L C 3.209 180.045 176.870 -0.056 0.000 1.073 1038 L CA 2.783 57.599 54.840 -0.039 0.000 0.748 1038 L CB -1.650 40.394 42.059 -0.025 0.000 0.891 1038 L HN 0.924 nan 8.230 nan 0.000 0.431 1039 R N -0.119 120.355 120.500 -0.044 0.000 2.083 1039 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 1039 R C 2.151 178.382 176.300 -0.114 0.000 1.137 1039 R CA 1.962 58.030 56.100 -0.054 0.000 0.951 1039 R CB -1.666 28.623 30.300 -0.018 0.000 0.851 1039 R HN 0.691 nan 8.270 nan 0.000 0.434 1040 E N -0.221 119.908 120.200 -0.119 0.000 2.077 1040 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 1040 E C 2.479 178.775 176.600 -0.505 0.000 0.989 1040 E CA 1.392 57.624 56.400 -0.281 0.000 0.800 1040 E CB -0.103 29.567 29.700 -0.050 0.000 0.746 1040 E HN 0.562 nan 8.360 nan 0.000 0.452 1041 R N 0.312 120.659 120.500 -0.255 0.000 2.081 1041 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 1041 R C 2.409 178.625 176.300 -0.140 0.000 1.131 1041 R CA 1.168 57.160 56.100 -0.180 0.000 0.960 1041 R CB -0.312 29.928 30.300 -0.099 0.000 0.856 1041 R HN 0.204 nan 8.270 nan 0.000 0.436 1042 I N 0.865 121.350 120.570 -0.141 0.000 2.226 1042 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 1042 I C 2.047 178.074 176.117 -0.151 0.000 1.100 1042 I CA 1.462 62.697 61.300 -0.109 0.000 1.374 1042 I CB -0.249 37.702 38.000 -0.081 0.000 1.057 1042 I HN 0.248 nan 8.210 nan 0.000 0.413 1043 E N 0.275 120.320 120.200 -0.259 0.000 2.106 1043 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 1043 E C 2.051 178.482 176.600 -0.281 0.000 0.984 1043 E CA 1.157 57.403 56.400 -0.258 0.000 0.806 1043 E CB -0.159 29.394 29.700 -0.245 0.000 0.750 1043 E HN 0.411 nan 8.360 nan 0.000 0.458 1044 F N 1.642 121.150 119.950 -0.735 0.000 2.069 1044 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 1044 F C 1.907 177.633 175.800 -0.124 0.000 1.113 1044 F CA 1.408 59.193 58.000 -0.359 0.000 1.214 1044 F CB -0.172 38.617 39.000 -0.353 0.000 0.978 1044 F HN -0.096 nan 8.300 nan 0.000 0.474 1045 L N 0.116 121.269 121.223 -0.116 0.000 2.093 1045 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 1045 L C 2.216 178.959 176.870 -0.211 0.000 1.085 1045 L CA 1.583 56.310 54.840 -0.188 0.000 0.755 1045 L CB -0.968 41.060 42.059 -0.053 0.000 0.904 1045 L HN 0.255 nan 8.230 nan 0.000 0.435 1046 N N 0.418 119.023 118.700 -0.157 0.000 2.166 1046 N HA -0.260 4.480 4.740 -0.000 0.000 0.186 1046 N C 1.807 177.212 175.510 -0.175 0.000 1.019 1046 N CA 1.430 54.395 53.050 -0.141 0.000 0.856 1046 N CB 0.032 38.466 38.487 -0.088 0.000 0.993 1046 N HN 0.315 nan 8.380 nan 0.000 0.426 1047 E N -0.425 119.688 120.200 -0.145 0.000 2.051 1047 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 1047 E C 1.793 178.241 176.600 -0.254 0.000 0.991 1047 E CA 1.176 57.508 56.400 -0.114 0.000 0.799 1047 E CB -0.268 29.449 29.700 0.028 0.000 0.748 1047 E HN 0.468 nan 8.360 nan 0.000 0.449 1048 A N 0.473 123.097 122.820 -0.326 0.000 1.908 1048 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 1048 A C 2.346 179.669 177.584 -0.434 0.000 1.181 1048 A CA 1.926 53.737 52.037 -0.377 0.000 0.627 1048 A CB -0.804 17.962 19.000 -0.390 0.000 0.818 1048 A HN 0.336 nan 8.150 nan 0.000 0.445 1049 S N -0.641 114.835 115.700 -0.372 0.000 2.368 1049 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 1049 S C 2.057 176.368 174.600 -0.481 0.000 1.029 1049 S CA 1.863 59.836 58.200 -0.378 0.000 0.988 1049 S CB -0.689 62.360 63.200 -0.252 0.000 0.838 1049 S HN 0.937 nan 8.310 nan 0.000 0.462 1050 V N -0.061 119.538 119.914 -0.524 0.000 2.548 1050 V HA -0.022 4.098 4.120 -0.000 0.000 0.249 1050 V C 2.127 177.421 176.094 -1.334 0.000 1.055 1050 V CA 1.795 63.614 62.300 -0.801 0.000 1.065 1050 V CB -0.944 30.391 31.823 -0.812 0.000 0.681 1050 V HN 0.463 nan 8.190 nan 0.000 0.462 1051 M N -0.043 118.936 119.600 -1.035 0.000 2.358 1051 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 1051 M C 2.230 178.037 176.300 -0.821 0.000 1.064 1051 M CA 1.726 56.458 55.300 -0.946 0.000 1.093 1051 M CB -0.475 31.835 32.600 -0.483 0.000 1.401 1051 M HN 0.334 nan 8.290 nan 0.000 0.440 1052 K N -0.034 119.845 120.400 -0.868 0.000 2.152 1052 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 1052 K C 1.766 178.135 176.600 -0.384 0.000 1.048 1052 K CA 1.271 57.028 56.287 -0.883 0.000 0.933 1052 K CB -0.334 31.627 32.500 -0.898 0.000 0.721 1052 K HN 0.453 nan 8.250 nan 0.000 0.447 1053 G N 0.068 108.576 108.800 -0.486 0.000 3.189 1053 G HA2 0.069 4.029 3.960 -0.000 0.000 0.225 1053 G HA3 0.069 4.029 3.960 -0.000 0.000 0.225 1053 G C -0.231 174.668 174.900 -0.002 0.000 1.159 1053 G CA -0.332 44.643 45.100 -0.209 0.000 0.763 1053 G HN -0.041 nan 8.290 nan 0.000 0.549 1054 F N 0.785 120.716 119.950 -0.032 0.000 2.408 1054 F HA 0.564 5.091 4.527 -0.000 0.000 0.344 1054 F C 0.268 176.104 175.800 0.060 0.000 1.112 1054 F CA -1.407 56.638 58.000 0.076 0.000 1.096 1054 F CB 1.964 40.938 39.000 -0.043 0.000 1.129 1054 F HN -0.289 nan 8.300 nan 0.000 0.486 1055 T N 2.404 117.109 114.554 0.253 0.000 3.103 1055 T HA 0.387 4.737 4.350 -0.000 0.000 0.352 1055 T C -1.366 173.132 174.700 -0.337 0.000 1.048 1055 T CA -0.428 61.684 62.100 0.018 0.000 1.175 1055 T CB 0.650 69.572 68.868 0.090 0.000 1.029 1055 T HN 0.755 nan 8.240 nan 0.000 0.498 1056 C N 2.841 121.903 119.300 -0.397 0.000 2.701 1056 C HA 0.481 4.940 4.460 -0.000 0.000 0.336 1056 C C 1.537 176.380 174.990 -0.245 0.000 1.123 1056 C CA -0.495 58.207 59.018 -0.526 0.000 1.326 1056 C CB 0.693 27.821 27.740 -1.020 0.000 1.833 1056 C HN 1.099 nan 8.230 nan 0.000 0.473 1057 H N 1.720 120.601 119.070 -0.315 0.000 2.422 1057 H HA -0.073 4.483 4.556 -0.000 0.000 0.298 1057 H C 1.060 176.139 175.328 -0.415 0.000 1.098 1057 H CA 2.443 58.264 56.048 -0.378 0.000 1.315 1057 H CB 0.021 29.468 29.762 -0.525 0.000 1.382 1057 H HN 0.862 nan 8.280 nan 0.000 0.523 1058 H N -1.237 117.803 119.070 -0.050 0.000 2.568 1058 H HA 0.365 4.921 4.556 -0.000 0.000 0.302 1058 H C -0.735 174.570 175.328 -0.039 0.000 1.065 1058 H CA -0.166 55.857 56.048 -0.043 0.000 1.140 1058 H CB 0.471 30.270 29.762 0.062 0.000 1.474 1058 H HN 0.002 nan 8.280 nan 0.000 0.545 1059 V N 1.335 121.245 119.914 -0.006 0.000 2.577 1059 V HA 0.103 4.223 4.120 -0.000 0.000 0.303 1059 V C 0.022 176.156 176.094 0.067 0.000 1.042 1059 V CA -1.109 61.238 62.300 0.078 0.000 0.872 1059 V CB 2.365 34.225 31.823 0.063 0.000 0.998 1059 V HN 0.025 nan 8.190 nan 0.000 0.423 1060 V N 5.062 125.051 119.914 0.126 0.000 2.720 1060 V HA 0.047 4.167 4.120 -0.000 0.000 0.307 1060 V C 0.782 176.944 176.094 0.113 0.000 1.071 1060 V CA 0.382 62.740 62.300 0.097 0.000 1.199 1060 V CB 0.306 32.200 31.823 0.118 0.000 0.900 1060 V HN 0.848 nan 8.190 nan 0.000 0.494 1061 R N 3.661 124.200 120.500 0.065 0.000 2.349 1061 R HA 0.488 4.828 4.340 -0.000 0.000 0.299 1061 R C -0.666 175.683 176.300 0.080 0.000 1.027 1061 R CA -0.851 55.294 56.100 0.075 0.000 0.958 1061 R CB 1.058 31.395 30.300 0.061 0.000 1.047 1061 R HN 0.604 nan 8.270 nan 0.000 0.468 1062 L N 4.980 126.245 121.223 0.069 0.000 2.350 1062 L HA 0.224 4.564 4.340 -0.000 0.000 0.275 1062 L C -0.070 176.937 176.870 0.228 0.000 1.099 1062 L CA 0.332 55.197 54.840 0.042 0.000 0.808 1062 L CB 1.214 43.153 42.059 -0.199 0.000 1.149 1062 L HN 0.814 nan 8.230 nan 0.000 0.442 1063 L N 3.915 125.263 121.223 0.208 0.000 2.609 1063 L HA 0.570 4.910 4.340 -0.000 0.000 0.230 1063 L C 0.804 177.858 176.870 0.306 0.000 1.064 1063 L CA 0.362 55.347 54.840 0.242 0.000 0.873 1063 L CB 0.268 42.402 42.059 0.124 0.000 1.139 1063 L HN 0.850 nan 8.230 nan 0.000 0.490 1064 G N -0.025 108.945 108.800 0.283 0.000 2.313 1064 G HA2 0.406 4.366 3.960 -0.000 0.000 0.296 1064 G HA3 0.406 4.366 3.960 -0.000 0.000 0.296 1064 G C -1.913 173.070 174.900 0.139 0.000 1.356 1064 G CA 0.017 45.286 45.100 0.282 0.000 0.833 1064 G HN -0.090 nan 8.290 nan 0.000 0.552 1065 V N -2.890 117.098 119.914 0.124 0.000 2.971 1065 V HA 0.873 4.993 4.120 -0.000 0.000 0.309 1065 V C -0.827 175.305 176.094 0.064 0.000 1.130 1065 V CA -1.059 61.277 62.300 0.059 0.000 0.964 1065 V CB 1.771 33.599 31.823 0.008 0.000 1.029 1065 V HN 1.147 nan 8.190 nan 0.000 0.427 1066 V N 3.882 123.830 119.914 0.056 0.000 2.266 1066 V HA 0.395 4.515 4.120 -0.000 0.000 0.271 1066 V C 1.079 177.204 176.094 0.051 0.000 1.032 1066 V CA 0.597 62.927 62.300 0.050 0.000 0.806 1066 V CB 0.639 32.490 31.823 0.047 0.000 1.052 1066 V HN 1.174 nan 8.190 nan 0.000 0.449 1067 S N 2.228 117.953 115.700 0.042 0.000 2.535 1067 S HA 0.155 4.625 4.470 -0.000 0.000 0.214 1067 S C 0.775 175.392 174.600 0.030 0.000 0.980 1067 S CA -0.176 58.047 58.200 0.038 0.000 0.907 1067 S CB 0.013 63.229 63.200 0.027 0.000 0.790 1067 S HN 0.591 nan 8.310 nan 0.000 0.510 1068 K N 2.195 122.611 120.400 0.026 0.000 2.338 1068 K HA 0.450 4.770 4.320 -0.000 0.000 0.290 1068 K C 0.820 177.430 176.600 0.016 0.000 1.069 1068 K CA 0.674 56.972 56.287 0.018 0.000 0.941 1068 K CB -0.388 32.121 32.500 0.015 0.000 1.023 1068 K HN 0.461 nan 8.250 nan 0.000 0.477 1069 G N 2.472 111.280 108.800 0.014 0.000 2.741 1069 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.222 1069 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.222 1069 G C -1.152 173.757 174.900 0.014 0.000 1.364 1069 G CA -0.697 44.409 45.100 0.010 0.000 0.866 1069 G HN 0.552 nan 8.290 nan 0.000 0.555 1070 Q N 0.178 119.982 119.800 0.008 0.000 2.387 1070 Q HA 0.625 4.965 4.340 -0.000 0.000 0.273 1070 Q C -1.907 174.093 176.000 0.000 0.000 1.089 1070 Q CA -1.313 54.495 55.803 0.007 0.000 0.824 1070 Q CB 2.076 30.815 28.738 0.001 0.000 1.367 1070 Q HN 0.714 nan 8.270 nan 0.000 0.443 1071 P HA 0.238 nan 4.420 nan 0.000 0.281 1071 P C -0.643 176.682 177.300 0.041 0.000 1.249 1071 P CA -0.325 62.781 63.100 0.010 0.000 0.810 1071 P CB 0.722 32.421 31.700 -0.001 0.000 1.008 1072 T N 1.889 116.485 114.554 0.070 0.000 2.930 1072 T HA 0.324 4.674 4.350 -0.000 0.000 0.306 1072 T C 0.270 175.087 174.700 0.196 0.000 1.045 1072 T CA 0.036 62.218 62.100 0.136 0.000 1.134 1072 T CB -0.029 68.967 68.868 0.212 0.000 0.961 1072 T HN 0.217 nan 8.240 nan 0.000 0.545 1073 L N 2.640 123.965 121.223 0.171 0.000 2.386 1073 L HA 0.623 4.962 4.340 -0.000 0.000 0.271 1073 L C -0.766 176.188 176.870 0.141 0.000 0.993 1073 L CA -1.211 53.737 54.840 0.181 0.000 0.819 1073 L CB 2.109 44.230 42.059 0.104 0.000 1.294 1073 L HN 0.319 nan 8.230 nan 0.000 0.414 1074 V N 3.658 123.663 119.914 0.152 0.000 2.350 1074 V HA 0.320 4.440 4.120 -0.000 0.000 0.285 1074 V C -0.023 176.111 176.094 0.065 0.000 1.014 1074 V CA -0.605 61.711 62.300 0.026 0.000 0.831 1074 V CB 1.959 33.702 31.823 -0.132 0.000 1.000 1074 V HN 0.435 nan 8.190 nan 0.000 0.433 1075 V N 7.049 126.998 119.914 0.059 0.000 2.383 1075 V HA 0.532 4.652 4.120 -0.000 0.000 0.275 1075 V C 0.155 176.290 176.094 0.069 0.000 1.036 1075 V CA -0.083 62.261 62.300 0.073 0.000 0.889 1075 V CB 1.144 33.013 31.823 0.076 0.000 0.985 1075 V HN 0.821 nan 8.190 nan 0.000 0.459 1076 M N 3.075 122.716 119.600 0.068 0.000 2.691 1076 M HA 0.497 4.977 4.480 -0.000 0.000 0.293 1076 M C -0.133 176.203 176.300 0.059 0.000 1.259 1076 M CA -0.849 54.490 55.300 0.065 0.000 0.827 1076 M CB 2.324 34.960 32.600 0.061 0.000 1.753 1076 M HN 0.776 nan 8.290 nan 0.000 0.465 1077 E N 1.153 121.385 120.200 0.054 0.000 2.442 1077 E HA 0.231 4.581 4.350 -0.000 0.000 0.262 1077 E C -1.076 175.542 176.600 0.030 0.000 1.004 1077 E CA -0.502 55.920 56.400 0.038 0.000 0.928 1077 E CB 0.660 30.377 29.700 0.028 0.000 0.937 1077 E HN 0.430 nan 8.360 nan 0.000 0.446 1078 L N 3.768 125.004 121.223 0.022 0.000 2.331 1078 L HA 0.202 4.542 4.340 -0.000 0.000 0.278 1078 L C -0.623 176.247 176.870 -0.001 0.000 1.106 1078 L CA -0.111 54.737 54.840 0.014 0.000 0.824 1078 L CB 1.003 43.067 42.059 0.009 0.000 1.142 1078 L HN 0.660 nan 8.230 nan 0.000 0.443 1079 M N 5.620 125.215 119.600 -0.008 0.000 2.080 1079 M HA 0.266 4.746 4.480 -0.000 0.000 0.350 1079 M C 1.285 177.551 176.300 -0.056 0.000 1.143 1079 M CA -0.207 55.076 55.300 -0.028 0.000 1.064 1079 M CB 0.493 33.080 32.600 -0.021 0.000 1.429 1079 M HN 0.870 nan 8.290 nan 0.000 0.418 1080 A N 2.770 125.532 122.820 -0.097 0.000 1.954 1080 A HA -0.217 4.103 4.320 -0.000 0.000 0.222 1080 A C 1.279 178.658 177.584 -0.341 0.000 1.199 1080 A CA 2.096 54.001 52.037 -0.221 0.000 0.657 1080 A CB -0.812 18.023 19.000 -0.275 0.000 0.823 1080 A HN 0.879 nan 8.150 nan 0.000 0.463 1081 H N -1.505 117.523 119.070 -0.071 0.000 2.488 1081 H HA 0.437 4.993 4.556 -0.000 0.000 0.294 1081 H C 1.348 176.680 175.328 0.006 0.000 1.088 1081 H CA 0.161 56.185 56.048 -0.039 0.000 1.086 1081 H CB -0.139 29.516 29.762 -0.177 0.000 1.569 1081 H HN 0.814 nan 8.280 nan 0.000 0.548 1082 G N 1.421 110.262 108.800 0.068 0.000 2.598 1082 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.269 1082 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.269 1082 G C -0.179 174.764 174.900 0.072 0.000 1.289 1082 G CA -0.094 45.048 45.100 0.069 0.000 0.926 1082 G HN 0.589 nan 8.290 nan 0.000 0.567 1083 D N 0.060 120.503 120.400 0.072 0.000 2.372 1083 D HA 0.232 4.872 4.640 -0.000 0.000 0.243 1083 D C 1.701 178.075 176.300 0.123 0.000 1.121 1083 D CA -0.179 53.860 54.000 0.065 0.000 0.898 1083 D CB 1.470 42.290 40.800 0.033 0.000 1.202 1083 D HN 0.491 nan 8.370 nan 0.000 0.428 1084 L N 2.539 123.829 121.223 0.111 0.000 2.079 1084 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 1084 L C 2.506 179.480 176.870 0.173 0.000 1.081 1084 L CA 1.966 56.909 54.840 0.171 0.000 0.752 1084 L CB -0.935 41.196 42.059 0.121 0.000 0.896 1084 L HN 0.672 nan 8.230 nan 0.000 0.433 1085 K N -1.169 119.303 120.400 0.119 0.000 2.002 1085 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 1085 K C 2.075 178.731 176.600 0.093 0.000 1.048 1085 K CA 1.813 58.164 56.287 0.107 0.000 0.930 1085 K CB -0.237 32.321 32.500 0.096 0.000 0.714 1085 K HN 0.347 nan 8.250 nan 0.000 0.438 1086 S N -0.036 115.723 115.700 0.098 0.000 2.370 1086 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 1086 S C 1.638 176.306 174.600 0.113 0.000 1.033 1086 S CA 1.323 59.578 58.200 0.091 0.000 1.011 1086 S CB -0.530 62.727 63.200 0.094 0.000 0.852 1086 S HN 0.441 nan 8.310 nan 0.000 0.457 1087 Y N 2.279 122.608 120.300 0.049 0.000 2.145 1087 Y HA -0.084 4.466 4.550 -0.000 0.000 0.286 1087 Y C 1.851 177.758 175.900 0.012 0.000 1.145 1087 Y CA 1.185 59.315 58.100 0.050 0.000 1.148 1087 Y CB -0.582 37.921 38.460 0.071 0.000 0.981 1087 Y HN 0.147 nan 8.280 nan 0.000 0.507 1088 L N -0.296 120.852 121.223 -0.124 0.000 2.046 1088 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 1088 L C 2.651 179.410 176.870 -0.185 0.000 1.077 1088 L CA 1.605 56.317 54.840 -0.214 0.000 0.747 1088 L CB -0.529 41.492 42.059 -0.064 0.000 0.896 1088 L HN 0.113 nan 8.230 nan 0.000 0.432 1089 R N -0.121 120.325 120.500 -0.090 0.000 2.096 1089 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 1089 R C 2.451 178.699 176.300 -0.087 0.000 1.127 1089 R CA 1.579 57.639 56.100 -0.068 0.000 0.968 1089 R CB -0.398 29.894 30.300 -0.014 0.000 0.861 1089 R HN 0.441 nan 8.270 nan 0.000 0.440 1090 S N 0.297 115.938 115.700 -0.099 0.000 2.555 1090 S HA 0.002 4.472 4.470 -0.000 0.000 0.230 1090 S C 1.632 176.144 174.600 -0.146 0.000 0.978 1090 S CA 0.618 58.767 58.200 -0.085 0.000 0.934 1090 S CB -0.063 63.119 63.200 -0.030 0.000 0.766 1090 S HN 0.253 nan 8.310 nan 0.000 0.533 1091 L N 0.139 121.225 121.223 -0.228 0.000 2.607 1091 L HA 0.312 4.652 4.340 -0.000 0.000 0.228 1091 L C 1.085 177.857 176.870 -0.163 0.000 1.123 1091 L CA -0.292 54.402 54.840 -0.243 0.000 0.890 1091 L CB 0.023 41.852 42.059 -0.382 0.000 1.103 1091 L HN 0.120 nan 8.230 nan 0.000 0.468 1092 R N 1.330 121.753 120.500 -0.129 0.000 2.643 1092 R HA 0.038 4.378 4.340 -0.000 0.000 0.270 1092 R C -1.150 175.104 176.300 -0.077 0.000 1.061 1092 R CA -1.177 54.864 56.100 -0.099 0.000 1.107 1092 R CB 0.257 30.510 30.300 -0.079 0.000 0.999 1092 R HN -0.127 nan 8.270 nan 0.000 0.460 1093 P HA -0.228 nan 4.420 nan 0.000 0.218 1093 P C 0.550 177.826 177.300 -0.040 0.000 1.148 1093 P CA 1.509 64.578 63.100 -0.053 0.000 0.822 1093 P CB 0.173 31.843 31.700 -0.050 0.000 0.784 1094 E N 0.157 120.335 120.200 -0.038 0.000 2.489 1094 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 1094 E C 0.608 177.193 176.600 -0.024 0.000 1.057 1094 E CA -0.157 56.226 56.400 -0.027 0.000 0.866 1094 E CB -0.666 29.020 29.700 -0.024 0.000 0.916 1094 E HN 0.046 nan 8.360 nan 0.000 0.500 1095 A N 1.135 123.935 122.820 -0.032 0.000 2.567 1095 A HA 0.268 4.588 4.320 -0.000 0.000 0.240 1095 A C 1.232 178.807 177.584 -0.015 0.000 1.053 1095 A CA 0.859 52.880 52.037 -0.027 0.000 0.755 1095 A CB 0.063 19.037 19.000 -0.043 0.000 0.978 1095 A HN 0.454 nan 8.150 nan 0.000 0.507 1096 E N 2.277 122.473 120.200 -0.006 0.000 2.140 1096 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 1096 E C 0.982 177.587 176.600 0.008 0.000 0.973 1096 E CA 0.854 57.255 56.400 0.001 0.000 0.829 1096 E CB -0.444 29.259 29.700 0.004 0.000 0.781 1096 E HN 0.926 nan 8.360 nan 0.000 0.466 1097 N N 1.239 119.946 118.700 0.011 0.000 2.455 1097 N HA -0.020 4.720 4.740 -0.000 0.000 0.258 1097 N C -0.321 175.205 175.510 0.027 0.000 1.158 1097 N CA -0.351 52.713 53.050 0.024 0.000 0.893 1097 N CB -0.463 38.043 38.487 0.031 0.000 1.173 1097 N HN 0.206 nan 8.380 nan 0.000 0.503 1098 N N 2.550 121.257 118.700 0.012 0.000 2.411 1098 N HA -0.003 4.737 4.740 -0.000 0.000 0.261 1098 N C -1.272 174.263 175.510 0.040 0.000 1.248 1098 N CA -0.670 52.383 53.050 0.004 0.000 0.885 1098 N CB 1.076 39.556 38.487 -0.011 0.000 1.062 1098 N HN 0.219 nan 8.380 nan 0.000 0.471 1099 P HA 0.077 nan 4.420 nan 0.000 0.242 1099 P C 0.235 177.609 177.300 0.124 0.000 1.197 1099 P CA 0.384 63.569 63.100 0.141 0.000 0.765 1099 P CB -0.084 31.757 31.700 0.236 0.000 0.936 1100 G N 0.439 109.278 108.800 0.065 0.000 2.291 1100 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.271 1100 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.271 1100 G C -0.161 174.769 174.900 0.049 0.000 1.099 1100 G CA -0.116 45.017 45.100 0.055 0.000 0.919 1100 G HN 0.658 nan 8.290 nan 0.000 0.496 1101 R N -0.353 120.151 120.500 0.007 0.000 2.629 1101 R HA 0.561 4.901 4.340 -0.000 0.000 0.266 1101 R C -2.851 173.397 176.300 -0.086 0.000 1.051 1101 R CA -1.506 54.577 56.100 -0.029 0.000 0.895 1101 R CB 1.724 32.007 30.300 -0.028 0.000 1.246 1101 R HN 0.077 nan 8.270 nan 0.000 0.459 1102 P HA 0.345 nan 4.420 nan 0.000 0.276 1102 P C -2.628 174.581 177.300 -0.151 0.000 1.261 1102 P CA -1.324 61.712 63.100 -0.107 0.000 0.800 1102 P CB 0.072 31.723 31.700 -0.082 0.000 1.066 1103 P HA 0.175 nan 4.420 nan 0.000 0.269 1103 P C -2.321 174.891 177.300 -0.146 0.000 1.215 1103 P CA -0.788 62.216 63.100 -0.161 0.000 0.780 1103 P CB -1.080 30.539 31.700 -0.135 0.000 0.898 1104 P HA 0.025 nan 4.420 nan 0.000 0.265 1104 P C 0.106 177.349 177.300 -0.095 0.000 1.193 1104 P CA 0.193 63.224 63.100 -0.116 0.000 0.765 1104 P CB 0.037 31.682 31.700 -0.091 0.000 0.823 1105 T N 0.328 114.833 114.554 -0.081 0.000 2.770 1105 T HA 0.129 4.479 4.350 -0.000 0.000 0.281 1105 T C 1.061 175.725 174.700 -0.060 0.000 0.981 1105 T CA -0.637 61.423 62.100 -0.065 0.000 0.955 1105 T CB 0.248 69.085 68.868 -0.052 0.000 1.060 1105 T HN 0.157 nan 8.240 nan 0.000 0.531 1106 L N 0.315 121.505 121.223 -0.054 0.000 2.046 1106 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 1106 L C 2.716 179.559 176.870 -0.045 0.000 1.077 1106 L CA 1.887 56.695 54.840 -0.053 0.000 0.747 1106 L CB -1.315 40.715 42.059 -0.049 0.000 0.896 1106 L HN 0.849 nan 8.230 nan 0.000 0.432 1107 Q N 0.172 119.951 119.800 -0.036 0.000 2.084 1107 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 1107 Q C 2.065 178.054 176.000 -0.019 0.000 0.978 1107 Q CA 2.094 57.882 55.803 -0.025 0.000 0.844 1107 Q CB -0.213 28.518 28.738 -0.012 0.000 0.898 1107 Q HN 0.675 nan 8.270 nan 0.000 0.426 1108 E N -0.706 119.480 120.200 -0.023 0.000 2.150 1108 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 1108 E C 1.998 178.586 176.600 -0.019 0.000 0.985 1108 E CA 1.191 57.581 56.400 -0.017 0.000 0.814 1108 E CB -0.120 29.553 29.700 -0.045 0.000 0.752 1108 E HN 0.450 nan 8.360 nan 0.000 0.466 1109 M N 0.307 119.885 119.600 -0.036 0.000 2.132 1109 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 1109 M C 2.178 178.455 176.300 -0.038 0.000 1.065 1109 M CA 0.968 56.243 55.300 -0.043 0.000 1.122 1109 M CB -0.092 32.470 32.600 -0.065 0.000 1.365 1109 M HN 0.115 nan 8.290 nan 0.000 0.411 1110 I N 0.279 120.822 120.570 -0.044 0.000 2.163 1110 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 1110 I C 2.466 178.552 176.117 -0.052 0.000 1.085 1110 I CA 1.679 62.949 61.300 -0.051 0.000 1.347 1110 I CB -1.490 36.472 38.000 -0.063 0.000 1.044 1110 I HN 0.348 nan 8.210 nan 0.000 0.408 1111 Q N 1.027 120.803 119.800 -0.040 0.000 2.112 1111 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 1111 Q C 2.249 178.254 176.000 0.007 0.000 0.987 1111 Q CA 1.931 57.718 55.803 -0.027 0.000 0.858 1111 Q CB -0.270 28.484 28.738 0.027 0.000 0.905 1111 Q HN 0.476 nan 8.270 nan 0.000 0.420 1112 M N -0.883 118.732 119.600 0.025 0.000 2.175 1112 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 1112 M C 2.185 178.529 176.300 0.073 0.000 1.063 1112 M CA 1.385 56.715 55.300 0.051 0.000 1.119 1112 M CB -0.409 32.216 32.600 0.042 0.000 1.377 1112 M HN 0.332 nan 8.290 nan 0.000 0.415 1113 A N 0.677 123.534 122.820 0.062 0.000 1.877 1113 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 1113 A C 2.398 180.123 177.584 0.235 0.000 1.186 1113 A CA 2.062 54.204 52.037 0.176 0.000 0.620 1113 A CB -0.985 18.079 19.000 0.108 0.000 0.822 1113 A HN 0.493 nan 8.150 nan 0.000 0.443 1114 A N -0.357 122.487 122.820 0.040 0.000 1.930 1114 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 1114 A C 1.906 179.502 177.584 0.019 0.000 1.175 1114 A CA 1.602 53.597 52.037 -0.070 0.000 0.627 1114 A CB -0.467 18.294 19.000 -0.397 0.000 0.815 1114 A HN 0.660 nan 8.150 nan 0.000 0.443 1115 E N -0.237 119.965 120.200 0.003 0.000 2.047 1115 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 1115 E C 1.869 178.403 176.600 -0.110 0.000 0.987 1115 E CA 1.199 57.480 56.400 -0.197 0.000 0.799 1115 E CB -0.285 29.381 29.700 -0.057 0.000 0.752 1115 E HN 0.678 nan 8.360 nan 0.000 0.449 1116 I N 1.327 121.940 120.570 0.073 0.000 2.226 1116 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 1116 I C 2.554 178.702 176.117 0.052 0.000 1.100 1116 I CA 1.000 62.377 61.300 0.129 0.000 1.374 1116 I CB -0.297 37.884 38.000 0.301 0.000 1.057 1116 I HN 0.084 nan 8.210 nan 0.000 0.413 1117 A N 0.192 123.056 122.820 0.072 0.000 1.933 1117 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 1117 A C 1.965 179.561 177.584 0.021 0.000 1.175 1117 A CA 2.283 54.276 52.037 -0.075 0.000 0.628 1117 A CB -0.691 18.262 19.000 -0.078 0.000 0.814 1117 A HN 0.456 nan 8.150 nan 0.000 0.444 1118 D N -0.730 119.734 120.400 0.106 0.000 2.117 1118 D HA -0.035 4.605 4.640 -0.000 0.000 0.198 1118 D C 2.008 178.436 176.300 0.213 0.000 0.982 1118 D CA 1.627 55.777 54.000 0.251 0.000 0.828 1118 D CB -0.400 40.558 40.800 0.263 0.000 0.967 1118 D HN 0.295 nan 8.370 nan 0.000 0.464 1119 G N -0.090 108.779 108.800 0.114 0.000 2.422 1119 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 1119 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 1119 G C 1.505 176.379 174.900 -0.043 0.000 1.146 1119 G CA 0.658 45.813 45.100 0.092 0.000 0.769 1119 G HN 0.177 nan 8.290 nan 0.000 0.547 1120 M N 1.043 120.493 119.600 -0.251 0.000 2.200 1120 M HA 0.160 4.640 4.480 -0.000 0.000 0.265 1120 M C 2.991 179.062 176.300 -0.383 0.000 1.066 1120 M CA 1.027 55.979 55.300 -0.579 0.000 1.127 1120 M CB -1.164 30.481 32.600 -1.591 0.000 1.379 1120 M HN 0.306 nan 8.290 nan 0.000 0.420 1121 A N -0.689 122.063 122.820 -0.113 0.000 1.902 1121 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 1121 A C 2.156 179.686 177.584 -0.089 0.000 1.181 1121 A CA 1.509 53.642 52.037 0.160 0.000 0.623 1121 A CB -1.138 18.143 19.000 0.468 0.000 0.818 1121 A HN 0.497 nan 8.150 nan 0.000 0.443 1122 Y N -0.010 120.015 120.300 -0.458 0.000 2.114 1122 Y HA -0.166 4.384 4.550 -0.000 0.000 0.284 1122 Y C 2.026 177.603 175.900 -0.537 0.000 1.143 1122 Y CA 1.856 59.355 58.100 -1.002 0.000 1.135 1122 Y CB -0.491 37.546 38.460 -0.705 0.000 0.980 1122 Y HN 0.233 nan 8.280 nan 0.000 0.499 1123 L N 1.468 122.456 121.223 -0.392 0.000 2.042 1123 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 1123 L C 2.227 178.992 176.870 -0.175 0.000 1.076 1123 L CA 2.388 57.018 54.840 -0.351 0.000 0.749 1123 L CB -1.248 40.730 42.059 -0.136 0.000 0.893 1123 L HN 0.498 nan 8.230 nan 0.000 0.432 1124 N N -0.391 118.237 118.700 -0.119 0.000 2.270 1124 N HA -0.143 4.597 4.740 -0.000 0.000 0.181 1124 N C 1.687 177.163 175.510 -0.056 0.000 1.016 1124 N CA 1.117 54.163 53.050 -0.007 0.000 0.870 1124 N CB 0.092 38.641 38.487 0.102 0.000 0.979 1124 N HN 0.480 nan 8.380 nan 0.000 0.431 1125 A N 0.863 123.588 122.820 -0.157 0.000 2.066 1125 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 1125 A C 1.814 179.293 177.584 -0.175 0.000 1.157 1125 A CA 0.834 52.800 52.037 -0.118 0.000 0.670 1125 A CB -0.049 18.889 19.000 -0.104 0.000 0.804 1125 A HN 0.137 nan 8.150 nan 0.000 0.453 1126 K N -0.286 119.957 120.400 -0.262 0.000 2.417 1126 K HA 0.071 4.391 4.320 -0.000 0.000 0.196 1126 K C -0.283 176.242 176.600 -0.125 0.000 1.023 1126 K CA -0.037 56.171 56.287 -0.132 0.000 1.122 1126 K CB 0.296 32.750 32.500 -0.077 0.000 0.850 1126 K HN 0.271 nan 8.250 nan 0.000 0.521 1127 K N 0.145 120.455 120.400 -0.151 0.000 3.181 1127 K HA -0.153 4.166 4.320 -0.000 0.000 0.269 1127 K C -0.820 175.515 176.600 -0.442 0.000 1.097 1127 K CA 0.678 56.818 56.287 -0.246 0.000 0.783 1127 K CB -2.135 30.196 32.500 -0.281 0.000 1.267 1127 K HN 0.109 nan 8.250 nan 0.000 0.484 1128 F N -1.224 118.722 119.950 -0.007 0.000 2.563 1128 F HA 0.508 5.035 4.527 -0.000 0.000 0.316 1128 F C 0.406 176.243 175.800 0.061 0.000 1.076 1128 F CA -1.088 56.932 58.000 0.033 0.000 0.921 1128 F CB 1.856 40.890 39.000 0.056 0.000 1.209 1128 F HN -0.166 nan 8.300 nan 0.000 0.462 1129 V N 3.428 123.507 119.914 0.276 0.000 2.459 1129 V HA 0.262 4.382 4.120 -0.000 0.000 0.295 1129 V C 0.437 176.683 176.094 0.253 0.000 1.029 1129 V CA -0.138 62.308 62.300 0.244 0.000 0.874 1129 V CB 1.200 33.149 31.823 0.210 0.000 0.985 1129 V HN 0.933 nan 8.190 nan 0.000 0.438 1130 H N 5.690 124.869 119.070 0.181 0.000 2.343 1130 H HA 0.043 4.599 4.556 -0.000 0.000 0.303 1130 H C 1.669 177.058 175.328 0.102 0.000 1.068 1130 H CA 2.062 58.194 56.048 0.140 0.000 1.359 1130 H CB 0.396 30.209 29.762 0.085 0.000 1.402 1130 H HN 0.861 nan 8.280 nan 0.000 0.515 1131 R N -0.973 119.721 120.500 0.324 0.000 3.870 1131 R HA -0.195 4.145 4.340 -0.000 0.000 0.463 1131 R C -0.194 176.273 176.300 0.279 0.000 0.790 1131 R CA 1.520 57.764 56.100 0.240 0.000 1.576 1131 R CB -1.343 28.854 30.300 -0.171 0.000 2.233 1131 R HN 0.318 nan 8.270 nan 0.000 0.463 1132 D N 0.267 120.904 120.400 0.395 0.000 2.908 1132 D HA 0.157 4.796 4.640 -0.000 0.000 0.361 1132 D C -1.005 175.441 176.300 0.243 0.000 1.416 1132 D CA -0.451 53.705 54.000 0.259 0.000 0.796 1132 D CB 0.359 41.204 40.800 0.074 0.000 1.185 1132 D HN 0.053 nan 8.370 nan 0.000 0.451 1133 L N 1.565 122.895 121.223 0.178 0.000 2.410 1133 L HA 0.607 4.947 4.340 -0.000 0.000 0.273 1133 L C -0.569 176.306 176.870 0.007 0.000 1.144 1133 L CA 0.243 55.022 54.840 -0.102 0.000 0.863 1133 L CB 0.428 42.483 42.059 -0.006 0.000 1.140 1133 L HN 0.188 nan 8.230 nan 0.000 0.463 1134 A N 3.939 126.702 122.820 -0.096 0.000 2.599 1134 A HA 0.671 4.991 4.320 -0.000 0.000 0.294 1134 A C 0.540 178.111 177.584 -0.022 0.000 1.055 1134 A CA -0.188 51.773 52.037 -0.126 0.000 0.683 1134 A CB 0.433 18.974 19.000 -0.766 0.000 1.278 1134 A HN 1.166 nan 8.150 nan 0.000 0.412 1135 A N 1.167 124.064 122.820 0.130 0.000 1.958 1135 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 1135 A C 1.973 179.579 177.584 0.036 0.000 1.178 1135 A CA 2.320 54.422 52.037 0.109 0.000 0.642 1135 A CB -0.681 18.426 19.000 0.179 0.000 0.816 1135 A HN 1.186 nan 8.150 nan 0.000 0.453 1136 R N -0.917 119.572 120.500 -0.017 0.000 2.193 1136 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 1136 R C 0.631 176.883 176.300 -0.079 0.000 1.110 1136 R CA 1.527 57.597 56.100 -0.050 0.000 0.988 1136 R CB -0.473 29.766 30.300 -0.102 0.000 0.871 1136 R HN 0.391 nan 8.270 nan 0.000 0.458 1137 N N 0.022 118.657 118.700 -0.108 0.000 2.270 1137 N HA 0.092 4.832 4.740 -0.000 0.000 0.198 1137 N C -0.559 174.884 175.510 -0.113 0.000 1.117 1137 N CA 0.038 53.015 53.050 -0.122 0.000 0.845 1137 N CB 0.403 38.810 38.487 -0.133 0.000 0.980 1137 N HN 0.158 nan 8.380 nan 0.000 0.486 1138 C N 1.105 120.368 119.300 -0.062 0.000 2.397 1138 C HA 0.596 5.056 4.460 -0.000 0.000 0.343 1138 C C 0.208 175.195 174.990 -0.005 0.000 1.188 1138 C CA -0.792 58.205 59.018 -0.036 0.000 1.992 1138 C CB 1.215 28.955 27.740 0.001 0.000 2.358 1138 C HN 0.183 nan 8.230 nan 0.000 0.518 1139 M N 1.852 121.452 119.600 -0.001 0.000 2.602 1139 M HA 0.569 5.049 4.480 -0.000 0.000 0.312 1139 M C -0.918 175.378 176.300 -0.007 0.000 1.181 1139 M CA -0.548 54.755 55.300 0.003 0.000 0.910 1139 M CB 1.586 34.185 32.600 -0.003 0.000 1.723 1139 M HN 0.320 nan 8.290 nan 0.000 0.459 1140 V N 1.313 121.212 119.914 -0.025 0.000 2.448 1140 V HA 0.758 4.878 4.120 -0.000 0.000 0.295 1140 V C 0.272 176.320 176.094 -0.078 0.000 1.025 1140 V CA -0.919 61.335 62.300 -0.076 0.000 0.859 1140 V CB 1.302 32.992 31.823 -0.223 0.000 0.988 1140 V HN 1.022 nan 8.190 nan 0.000 0.431 1141 A N 2.448 125.193 122.820 -0.124 0.000 2.246 1141 A HA 0.518 4.838 4.320 -0.000 0.000 0.291 1141 A C 1.159 178.573 177.584 -0.283 0.000 1.103 1141 A CA 0.317 52.236 52.037 -0.197 0.000 0.844 1141 A CB 0.047 18.878 19.000 -0.282 0.000 1.136 1141 A HN 1.242 nan 8.150 nan 0.000 0.500 1142 H N -0.769 118.164 119.070 -0.228 0.000 2.457 1142 H HA -0.116 4.440 4.556 -0.000 0.000 0.297 1142 H C 0.627 175.668 175.328 -0.478 0.000 1.092 1142 H CA 1.750 57.612 56.048 -0.311 0.000 1.309 1142 H CB -0.087 29.545 29.762 -0.216 0.000 1.382 1142 H HN 0.592 nan 8.280 nan 0.000 0.535 1143 D N -0.740 119.186 120.400 -0.789 0.000 2.402 1143 D HA -0.048 4.592 4.640 -0.000 0.000 0.216 1143 D C 0.086 176.165 176.300 -0.368 0.000 1.128 1143 D CA -0.555 53.130 54.000 -0.525 0.000 0.833 1143 D CB -0.743 39.841 40.800 -0.360 0.000 0.971 1143 D HN 0.562 nan 8.370 nan 0.000 0.503 1144 F N -0.836 119.039 119.950 -0.125 0.000 2.746 1144 F HA -0.228 4.299 4.527 -0.000 0.000 0.315 1144 F C 0.309 176.042 175.800 -0.111 0.000 0.666 1144 F CA 0.545 58.454 58.000 -0.151 0.000 1.381 1144 F CB -2.494 36.431 39.000 -0.125 0.000 1.739 1144 F HN -0.130 nan 8.300 nan 0.000 0.322 1145 T N 2.131 116.676 114.554 -0.014 0.000 2.888 1145 T HA 0.405 4.755 4.350 -0.000 0.000 0.301 1145 T C 0.535 175.259 174.700 0.040 0.000 1.001 1145 T CA -0.186 61.943 62.100 0.049 0.000 1.147 1145 T CB 1.235 70.121 68.868 0.031 0.000 0.931 1145 T HN 0.049 nan 8.240 nan 0.000 0.541 1146 V N 5.170 125.141 119.914 0.095 0.000 2.607 1146 V HA 0.429 4.549 4.120 -0.000 0.000 0.289 1146 V C 0.291 176.444 176.094 0.099 0.000 1.053 1146 V CA -0.325 62.019 62.300 0.072 0.000 0.996 1146 V CB 1.252 33.122 31.823 0.078 0.000 0.995 1146 V HN 0.767 nan 8.190 nan 0.000 0.476 1147 K N 3.830 124.262 120.400 0.053 0.000 2.502 1147 K HA 0.551 4.871 4.320 -0.000 0.000 0.257 1147 K C -1.440 175.175 176.600 0.024 0.000 0.938 1147 K CA -0.933 55.388 56.287 0.056 0.000 0.819 1147 K CB 2.322 34.826 32.500 0.006 0.000 1.333 1147 K HN 0.338 nan 8.250 nan 0.000 0.434 1148 I N 1.961 122.546 120.570 0.026 0.000 2.517 1148 I HA 0.091 4.261 4.170 -0.000 0.000 0.285 1148 I C 1.187 177.272 176.117 -0.053 0.000 1.106 1148 I CA 0.430 61.690 61.300 -0.067 0.000 1.402 1148 I CB 0.231 38.189 38.000 -0.070 0.000 1.399 1148 I HN 0.993 nan 8.210 nan 0.000 0.535 1149 G N 5.148 113.857 108.800 -0.151 0.000 3.528 1149 G HA2 0.057 4.017 3.960 -0.000 0.000 0.266 1149 G HA3 0.057 4.017 3.960 -0.000 0.000 0.266 1149 G C 0.056 174.865 174.900 -0.152 0.000 1.004 1149 G CA -0.068 44.992 45.100 -0.066 0.000 0.853 1149 G HN 0.638 nan 8.290 nan 0.000 0.501 1150 D N -0.304 119.825 120.400 -0.452 0.000 2.879 1150 D HA 0.453 5.093 4.640 -0.000 0.000 0.236 1150 D C -1.164 174.704 176.300 -0.721 0.000 1.171 1150 D CA -0.585 53.209 54.000 -0.344 0.000 0.868 1150 D CB 1.816 42.500 40.800 -0.193 0.000 1.598 1150 D HN -0.046 nan 8.370 nan 0.000 0.497 1151 F N 1.394 121.325 119.950 -0.030 0.000 2.733 1151 F HA 0.283 4.810 4.527 -0.000 0.000 0.380 1151 F C 1.666 177.404 175.800 -0.103 0.000 1.324 1151 F CA -0.677 57.222 58.000 -0.168 0.000 1.178 1151 F CB 1.307 40.246 39.000 -0.102 0.000 1.093 1151 F HN 0.507 nan 8.300 nan 0.000 0.512 1152 G N 0.170 109.008 108.800 0.064 0.000 2.470 1152 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 1152 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 1152 G C 1.190 176.206 174.900 0.193 0.000 1.121 1152 G CA 0.702 45.968 45.100 0.276 0.000 0.766 1152 G HN 0.370 nan 8.290 nan 0.000 0.553 1153 M N 0.707 120.304 119.600 -0.006 0.000 2.416 1153 M HA 0.156 4.636 4.480 -0.000 0.000 0.337 1153 M C -0.071 176.173 176.300 -0.092 0.000 1.074 1153 M CA -0.102 55.171 55.300 -0.046 0.000 0.968 1153 M CB 1.193 33.743 32.600 -0.082 0.000 1.472 1153 M HN -0.143 nan 8.290 nan 0.000 0.539 1154 T N 2.713 117.221 114.554 -0.076 0.000 2.916 1154 T HA 0.242 4.592 4.350 -0.000 0.000 0.303 1154 T C 0.278 175.037 174.700 0.098 0.000 1.025 1154 T CA 0.196 62.297 62.100 0.001 0.000 1.142 1154 T CB 0.491 69.390 68.868 0.052 0.000 0.947 1154 T HN 0.174 nan 8.240 nan 0.000 0.544 1155 R N 2.174 122.771 120.500 0.162 0.000 2.686 1155 R HA 0.332 4.672 4.340 -0.000 0.000 0.286 1155 R C -0.773 175.657 176.300 0.217 0.000 0.969 1155 R CA -0.995 55.203 56.100 0.162 0.000 0.898 1155 R CB 1.586 31.914 30.300 0.046 0.000 1.183 1155 R HN 0.624 nan 8.270 nan 0.000 0.456 1156 D N 2.936 123.402 120.400 0.111 0.000 2.390 1156 D HA 0.250 4.890 4.640 -0.000 0.000 0.249 1156 D C 0.238 176.461 176.300 -0.128 0.000 1.144 1156 D CA -0.067 53.819 54.000 -0.190 0.000 0.880 1156 D CB 0.572 41.249 40.800 -0.207 0.000 1.182 1156 D HN 0.484 nan 8.370 nan 0.000 0.451 1160 T N -1.184 113.360 114.554 -0.016 0.000 2.985 1160 T HA 0.236 4.586 4.350 -0.000 0.000 0.254 1160 T C 0.360 175.065 174.700 0.008 0.000 1.021 1160 T CA 0.550 62.649 62.100 -0.001 0.000 0.957 1160 T CB 1.168 70.040 68.868 0.007 0.000 1.047 1160 T HN -0.061 nan 8.240 nan 0.000 0.511 1165 K N 1.479 122.004 120.400 0.209 0.000 2.412 1165 K HA 0.299 4.619 4.320 -0.000 0.000 0.284 1165 K C 0.734 177.389 176.600 0.092 0.000 1.046 1165 K CA 0.476 56.856 56.287 0.155 0.000 0.999 1165 K CB 0.589 33.228 32.500 0.231 0.000 0.941 1165 K HN 0.790 nan 8.250 nan 0.000 0.474 1166 G N 2.284 111.120 108.800 0.060 0.000 2.622 1166 G HA2 0.304 4.264 3.960 -0.000 0.000 0.206 1166 G HA3 0.304 4.264 3.960 -0.000 0.000 0.206 1166 G C 1.257 176.181 174.900 0.040 0.000 1.458 1166 G CA 0.702 45.828 45.100 0.042 0.000 0.919 1166 G HN 1.035 nan 8.290 nan 0.000 0.508 1167 G N -0.384 108.435 108.800 0.032 0.000 2.393 1167 G HA2 0.455 4.414 3.960 -0.000 0.000 0.268 1167 G HA3 0.455 4.414 3.960 -0.000 0.000 0.268 1167 G C 0.418 175.340 174.900 0.037 0.000 1.472 1167 G CA 0.928 46.046 45.100 0.029 0.000 1.059 1167 G HN 0.785 nan 8.290 nan 0.000 0.555 1168 K N -1.948 118.472 120.400 0.033 0.000 2.240 1168 K HA 0.825 5.145 4.320 -0.000 0.000 0.237 1168 K C 0.336 176.961 176.600 0.041 0.000 1.027 1168 K CA -0.081 56.229 56.287 0.038 0.000 0.937 1168 K CB 0.954 33.472 32.500 0.031 0.000 1.171 1168 K HN 2.219 nan 8.250 nan 0.000 0.479 1169 G N -1.168 107.660 108.800 0.047 0.000 2.325 1169 G HA2 0.412 4.372 3.960 -0.000 0.000 0.297 1169 G HA3 0.412 4.372 3.960 -0.000 0.000 0.297 1169 G C -1.529 173.406 174.900 0.058 0.000 1.448 1169 G CA -0.846 44.283 45.100 0.049 0.000 0.838 1169 G HN 0.603 nan 8.290 nan 0.000 0.579 1170 L N 0.575 121.833 121.223 0.059 0.000 2.319 1170 L HA 0.585 4.925 4.340 -0.000 0.000 0.280 1170 L C -0.116 176.800 176.870 0.077 0.000 1.099 1170 L CA -0.367 54.511 54.840 0.064 0.000 0.828 1170 L CB 0.807 42.902 42.059 0.059 0.000 1.150 1170 L HN 0.299 nan 8.230 nan 0.000 0.442 1171 L N 5.107 126.386 121.223 0.093 0.000 2.370 1171 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 1171 L C -2.034 174.922 176.870 0.143 0.000 1.002 1171 L CA -1.628 53.288 54.840 0.125 0.000 0.818 1171 L CB 2.361 44.518 42.059 0.163 0.000 1.325 1171 L HN 0.432 nan 8.230 nan 0.000 0.418 1172 P HA 0.077 nan 4.420 nan 0.000 0.230 1172 P C 0.977 178.500 177.300 0.371 0.000 1.791 1172 P CA -0.187 63.062 63.100 0.247 0.000 1.020 1172 P CB 0.589 32.375 31.700 0.143 0.000 1.977 1173 V N 3.071 123.139 119.914 0.257 0.000 2.277 1173 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 1173 V C 2.547 178.741 176.094 0.167 0.000 1.067 1173 V CA 2.070 64.470 62.300 0.166 0.000 1.047 1173 V CB -0.901 30.969 31.823 0.078 0.000 0.649 1173 V HN 0.433 nan 8.190 nan 0.000 0.447 1174 R N -1.531 119.116 120.500 0.245 0.000 2.285 1174 R HA -0.119 4.221 4.340 -0.000 0.000 0.213 1174 R C 1.824 178.130 176.300 0.011 0.000 1.068 1174 R CA 1.249 57.383 56.100 0.056 0.000 1.004 1174 R CB -0.153 30.060 30.300 -0.146 0.000 0.873 1174 R HN 0.602 nan 8.270 nan 0.000 0.467 1175 W N -0.203 121.232 121.300 0.226 0.000 3.127 1175 W HA 0.285 4.945 4.660 -0.000 0.000 0.344 1175 W C 0.136 176.860 176.519 0.342 0.000 1.151 1175 W CA -0.529 56.999 57.345 0.305 0.000 1.765 1175 W CB 0.295 29.909 29.460 0.257 0.000 1.085 1175 W HN 0.010 nan 8.180 nan 0.000 0.596 1176 M N 0.574 120.374 119.600 0.332 0.000 2.249 1176 M HA 0.381 4.861 4.480 -0.000 0.000 0.351 1176 M C 0.614 176.612 176.300 -0.503 0.000 1.180 1176 M CA -0.174 55.156 55.300 0.050 0.000 1.127 1176 M CB 1.228 33.841 32.600 0.022 0.000 1.546 1176 M HN -0.262 nan 8.290 nan 0.000 0.461 1177 A N 4.557 126.935 122.820 -0.737 0.000 2.386 1177 A HA 0.358 4.678 4.320 -0.000 0.000 0.248 1177 A C -1.587 175.409 177.584 -0.980 0.000 1.082 1177 A CA -1.307 49.899 52.037 -1.386 0.000 0.789 1177 A CB -0.381 18.196 19.000 -0.704 0.000 1.025 1177 A HN 0.669 nan 8.150 nan 0.000 0.490 1178 P HA -0.255 nan 4.420 nan 0.000 0.216 1178 P C 1.098 178.075 177.300 -0.538 0.000 1.153 1178 P CA 1.827 64.497 63.100 -0.715 0.000 0.858 1178 P CB -0.025 31.182 31.700 -0.821 0.000 0.789 1179 E N 0.281 120.144 120.200 -0.562 0.000 2.204 1179 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 1179 E C 1.737 178.109 176.600 -0.380 0.000 0.990 1179 E CA 1.293 57.458 56.400 -0.393 0.000 0.821 1179 E CB -1.076 28.424 29.700 -0.333 0.000 0.750 1179 E HN 0.186 nan 8.360 nan 0.000 0.477 1180 S N 0.822 116.225 115.700 -0.495 0.000 2.414 1180 S HA 0.088 4.558 4.470 -0.000 0.000 0.227 1180 S C 2.073 176.421 174.600 -0.419 0.000 1.022 1180 S CA 0.450 58.257 58.200 -0.654 0.000 0.958 1180 S CB -0.102 62.535 63.200 -0.938 0.000 0.797 1180 S HN 0.187 nan 8.310 nan 0.000 0.493 1181 L N 1.365 122.390 121.223 -0.329 0.000 2.023 1181 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 1181 L C 2.590 179.369 176.870 -0.151 0.000 1.073 1181 L CA 1.230 55.949 54.840 -0.201 0.000 0.745 1181 L CB -0.437 41.496 42.059 -0.210 0.000 0.900 1181 L HN 0.228 nan 8.230 nan 0.000 0.435 1182 K N -0.022 120.276 120.400 -0.170 0.000 2.002 1182 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 1182 K C 0.814 177.360 176.600 -0.090 0.000 1.048 1182 K CA 1.925 58.145 56.287 -0.111 0.000 0.930 1182 K CB 0.090 32.527 32.500 -0.105 0.000 0.714 1182 K HN 0.293 nan 8.250 nan 0.000 0.438 1183 D N -1.390 118.939 120.400 -0.117 0.000 2.431 1183 D HA 0.116 4.756 4.640 -0.000 0.000 0.213 1183 D C 0.340 176.600 176.300 -0.067 0.000 1.130 1183 D CA 0.582 54.535 54.000 -0.078 0.000 0.834 1183 D CB 0.996 41.754 40.800 -0.071 0.000 0.985 1183 D HN 0.505 nan 8.370 nan 0.000 0.504 1184 G N 1.432 110.167 108.800 -0.108 0.000 2.249 1184 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.273 1184 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.273 1184 G C 0.269 175.156 174.900 -0.021 0.000 1.036 1184 G CA 0.185 45.271 45.100 -0.024 0.000 0.824 1184 G HN 0.272 nan 8.290 nan 0.000 0.504 1185 V N 0.208 119.978 119.914 -0.241 0.000 2.394 1185 V HA 0.732 4.852 4.120 -0.000 0.000 0.282 1185 V C -0.053 175.834 176.094 -0.345 0.000 1.031 1185 V CA -0.573 61.647 62.300 -0.133 0.000 0.881 1185 V CB 1.109 32.867 31.823 -0.108 0.000 0.982 1185 V HN 0.230 nan 8.190 nan 0.000 0.451 1186 F N 2.887 122.852 119.950 0.025 0.000 2.507 1186 F HA 0.752 5.279 4.527 -0.000 0.000 0.325 1186 F C 0.527 176.367 175.800 0.066 0.000 1.116 1186 F CA -0.424 57.608 58.000 0.053 0.000 0.930 1186 F CB 2.300 41.345 39.000 0.076 0.000 1.146 1186 F HN 0.609 nan 8.300 nan 0.000 0.447 1187 T N -2.717 111.970 114.554 0.222 0.000 2.696 1187 T HA 0.226 4.576 4.350 -0.000 0.000 0.291 1187 T C 0.636 175.466 174.700 0.217 0.000 1.095 1187 T CA -0.258 61.948 62.100 0.177 0.000 1.026 1187 T CB 1.410 70.339 68.868 0.102 0.000 1.390 1187 T HN 0.461 nan 8.240 nan 0.000 0.513 1188 T N 0.025 114.698 114.554 0.197 0.000 2.915 1188 T HA -0.046 4.303 4.350 -0.000 0.000 0.269 1188 T C 1.892 176.724 174.700 0.219 0.000 1.071 1188 T CA 2.057 64.315 62.100 0.263 0.000 1.132 1188 T CB -0.971 68.040 68.868 0.237 0.000 0.878 1188 T HN 0.563 nan 8.240 nan 0.000 0.479 1189 S N 1.132 116.912 115.700 0.134 0.000 2.368 1189 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 1189 S C 2.416 177.118 174.600 0.171 0.000 1.029 1189 S CA 1.473 59.730 58.200 0.094 0.000 0.988 1189 S CB -0.374 62.861 63.200 0.059 0.000 0.838 1189 S HN 0.836 nan 8.310 nan 0.000 0.462 1190 S N 1.853 117.658 115.700 0.174 0.000 2.402 1190 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 1190 S C 1.319 176.143 174.600 0.372 0.000 1.021 1190 S CA 1.061 59.383 58.200 0.203 0.000 0.974 1190 S CB -0.503 62.730 63.200 0.055 0.000 0.800 1190 S HN 0.279 nan 8.310 nan 0.000 0.484 1191 D N 1.304 121.943 120.400 0.397 0.000 2.144 1191 D HA -0.029 4.611 4.640 -0.000 0.000 0.199 1191 D C 1.744 178.399 176.300 0.592 0.000 0.984 1191 D CA 1.060 55.365 54.000 0.509 0.000 0.834 1191 D CB -0.386 40.742 40.800 0.547 0.000 0.955 1191 D HN 0.378 nan 8.370 nan 0.000 0.465 1192 M N -0.244 119.575 119.600 0.365 0.000 2.213 1192 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 1192 M C 1.776 178.279 176.300 0.339 0.000 1.062 1192 M CA 1.149 56.516 55.300 0.112 0.000 1.105 1192 M CB -0.524 31.949 32.600 -0.211 0.000 1.385 1192 M HN 0.229 nan 8.290 nan 0.000 0.417 1193 W N 0.351 121.798 121.300 0.246 0.000 2.355 1193 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 1193 W C 1.912 178.714 176.519 0.472 0.000 1.206 1193 W CA 1.990 59.548 57.345 0.354 0.000 1.284 1193 W CB -1.030 28.582 29.460 0.253 0.000 1.145 1193 W HN 0.263 nan 8.180 nan 0.000 0.502 1194 S N 0.918 117.060 115.700 0.737 0.000 2.383 1194 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 1194 S C 1.561 176.485 174.600 0.540 0.000 1.030 1194 S CA 1.674 60.275 58.200 0.668 0.000 1.002 1194 S CB -1.119 62.443 63.200 0.603 0.000 0.829 1194 S HN 0.335 nan 8.310 nan 0.000 0.467 1195 F N 2.661 122.826 119.950 0.358 0.000 2.126 1195 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 1195 F C 2.254 178.141 175.800 0.145 0.000 1.096 1195 F CA 1.292 59.456 58.000 0.274 0.000 1.255 1195 F CB -1.004 38.204 39.000 0.346 0.000 0.997 1195 F HN 0.214 nan 8.300 nan 0.000 0.479 1196 G N -0.257 108.565 108.800 0.037 0.000 2.422 1196 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 1196 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 1196 G C 1.707 176.619 174.900 0.019 0.000 1.146 1196 G CA 1.152 46.039 45.100 -0.355 0.000 0.769 1196 G HN 0.355 nan 8.290 nan 0.000 0.547 1197 V N 0.489 120.628 119.914 0.374 0.000 2.515 1197 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 1197 V C 2.952 179.239 176.094 0.321 0.000 1.058 1197 V CA 1.159 63.684 62.300 0.375 0.000 1.064 1197 V CB -0.085 31.807 31.823 0.116 0.000 0.675 1197 V HN 0.243 nan 8.190 nan 0.000 0.461 1198 V N -0.118 119.941 119.914 0.241 0.000 2.515 1198 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 1198 V C 2.245 178.347 176.094 0.015 0.000 1.058 1198 V CA 1.631 64.037 62.300 0.176 0.000 1.064 1198 V CB -0.454 31.430 31.823 0.101 0.000 0.675 1198 V HN 0.454 nan 8.190 nan 0.000 0.461 1199 L N -1.696 119.434 121.223 -0.155 0.000 2.093 1199 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 1199 L C 2.286 179.136 176.870 -0.034 0.000 1.085 1199 L CA 1.858 56.578 54.840 -0.202 0.000 0.755 1199 L CB -0.507 41.335 42.059 -0.362 0.000 0.904 1199 L HN 0.508 nan 8.230 nan 0.000 0.435 1200 W N 1.559 122.806 121.300 -0.087 0.000 2.358 1200 W HA -0.186 4.473 4.660 -0.000 0.000 0.303 1200 W C 2.384 178.889 176.519 -0.023 0.000 1.208 1200 W CA 1.558 58.895 57.345 -0.013 0.000 1.274 1200 W CB 0.043 29.570 29.460 0.111 0.000 1.138 1200 W HN 0.083 nan 8.180 nan 0.000 0.515 1201 E N 0.061 120.415 120.200 0.255 0.000 2.110 1201 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 1201 E C 2.091 178.650 176.600 -0.068 0.000 0.988 1201 E CA 1.782 58.255 56.400 0.120 0.000 0.804 1201 E CB -0.450 29.423 29.700 0.288 0.000 0.745 1201 E HN 0.385 nan 8.360 nan 0.000 0.458 1202 I N 1.075 121.612 120.570 -0.055 0.000 2.252 1202 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 1202 I C 2.632 178.652 176.117 -0.161 0.000 1.102 1202 I CA 1.520 62.768 61.300 -0.087 0.000 1.385 1202 I CB -0.398 37.560 38.000 -0.070 0.000 1.064 1202 I HN 0.197 nan 8.210 nan 0.000 0.414 1203 T N -2.530 111.892 114.554 -0.221 0.000 3.055 1203 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 1203 T C 1.524 176.014 174.700 -0.350 0.000 1.111 1203 T CA 0.938 62.884 62.100 -0.257 0.000 1.118 1203 T CB -0.315 68.407 68.868 -0.243 0.000 0.909 1203 T HN 0.405 nan 8.240 nan 0.000 0.501 1204 S N 0.907 116.311 115.700 -0.494 0.000 2.568 1204 S HA 0.387 4.857 4.470 -0.000 0.000 0.232 1204 S C 0.613 175.011 174.600 -0.336 0.000 0.975 1204 S CA -0.680 57.198 58.200 -0.535 0.000 0.949 1204 S CB -0.771 61.813 63.200 -1.026 0.000 0.829 1204 S HN 0.484 nan 8.310 nan 0.000 0.479 1205 L N 0.866 121.943 121.223 -0.244 0.000 3.746 1205 L HA -0.269 4.071 4.340 -0.000 0.000 0.542 1205 L C 0.813 177.614 176.870 -0.114 0.000 1.268 1205 L CA 0.064 54.806 54.840 -0.163 0.000 0.818 1205 L CB -2.432 39.533 42.059 -0.157 0.000 1.472 1205 L HN 0.780 nan 8.230 nan 0.000 0.843 1206 A N 0.039 122.815 122.820 -0.072 0.000 2.610 1206 A HA -0.200 4.120 4.320 -0.000 0.000 0.299 1206 A C 0.615 178.228 177.584 0.048 0.000 1.487 1206 A CA 1.568 53.625 52.037 0.034 0.000 0.743 1206 A CB -0.870 18.165 19.000 0.059 0.000 1.070 1206 A HN 0.728 nan 8.150 nan 0.000 0.439 1207 E N 0.061 120.249 120.200 -0.021 0.000 2.345 1207 E HA 0.421 4.771 4.350 -0.000 0.000 0.259 1207 E C 0.516 177.286 176.600 0.283 0.000 1.117 1207 E CA -0.233 56.197 56.400 0.049 0.000 0.913 1207 E CB 0.401 30.042 29.700 -0.099 0.000 1.057 1207 E HN 0.549 nan 8.360 nan 0.000 0.432 1208 Q N 2.722 122.680 119.800 0.264 0.000 2.288 1208 Q HA 0.234 4.574 4.340 -0.000 0.000 0.258 1208 Q C -2.151 173.952 176.000 0.172 0.000 0.957 1208 Q CA -2.005 53.945 55.803 0.245 0.000 0.919 1208 Q CB 0.770 29.610 28.738 0.170 0.000 1.185 1208 Q HN 0.271 nan 8.270 nan 0.000 0.408 1209 P HA -0.091 nan 4.420 nan 0.000 0.263 1209 P C -1.346 175.735 177.300 -0.365 0.000 1.195 1209 P CA 0.539 63.197 63.100 -0.738 0.000 0.762 1209 P CB 0.003 31.147 31.700 -0.926 0.000 0.799 1210 Y N -1.016 119.029 120.300 -0.426 0.000 3.389 1210 Y HA -0.243 4.307 4.550 -0.000 0.000 0.213 1210 Y C 1.262 177.086 175.900 -0.126 0.000 1.272 1210 Y CA 0.669 58.620 58.100 -0.249 0.000 1.444 1210 Y CB -2.777 35.543 38.460 -0.233 0.000 1.445 1210 Y HN 0.503 nan 8.280 nan 0.000 0.583 1211 Q N 0.844 120.665 119.800 0.035 0.000 2.286 1211 Q HA 0.418 4.758 4.340 -0.000 0.000 0.290 1211 Q C 1.482 177.501 176.000 0.031 0.000 1.049 1211 Q CA 1.192 57.030 55.803 0.058 0.000 0.923 1211 Q CB 0.515 29.303 28.738 0.083 0.000 1.183 1211 Q HN 1.688 nan 8.270 nan 0.000 0.383 1212 G N 0.331 109.145 108.800 0.024 0.000 2.213 1212 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.236 1212 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.236 1212 G C 0.204 175.094 174.900 -0.016 0.000 0.991 1212 G CA 0.146 45.247 45.100 0.002 0.000 0.629 1212 G HN 0.956 nan 8.290 nan 0.000 0.517 1213 L N 1.946 123.161 121.223 -0.014 0.000 2.334 1213 L HA 0.662 5.002 4.340 -0.000 0.000 0.276 1213 L C 1.170 178.024 176.870 -0.026 0.000 1.014 1213 L CA -0.444 54.369 54.840 -0.044 0.000 0.815 1213 L CB 1.908 43.914 42.059 -0.088 0.000 1.268 1213 L HN 0.376 nan 8.230 nan 0.000 0.428 1214 S N 0.608 116.287 115.700 -0.034 0.000 2.624 1214 S HA 0.189 4.659 4.470 -0.000 0.000 0.263 1214 S C 0.776 175.358 174.600 -0.031 0.000 1.287 1214 S CA -0.718 57.472 58.200 -0.018 0.000 0.990 1214 S CB 0.862 64.053 63.200 -0.016 0.000 0.950 1214 S HN 0.611 nan 8.310 nan 0.000 0.561 1215 N N 1.244 119.937 118.700 -0.010 0.000 2.166 1215 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 1215 N C 1.473 176.961 175.510 -0.036 0.000 1.019 1215 N CA 1.484 54.524 53.050 -0.016 0.000 0.856 1215 N CB -0.624 37.874 38.487 0.019 0.000 0.993 1215 N HN 0.687 nan 8.380 nan 0.000 0.426 1216 E N 1.227 121.413 120.200 -0.024 0.000 2.118 1216 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 1216 E C 1.994 178.572 176.600 -0.037 0.000 0.992 1216 E CA 1.026 57.411 56.400 -0.025 0.000 0.804 1216 E CB -0.170 29.521 29.700 -0.016 0.000 0.741 1216 E HN 0.482 nan 8.360 nan 0.000 0.458 1217 Q N -0.289 119.481 119.800 -0.051 0.000 2.172 1217 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 1217 Q C 2.205 178.158 176.000 -0.078 0.000 0.964 1217 Q CA 1.001 56.767 55.803 -0.062 0.000 0.855 1217 Q CB 0.128 28.815 28.738 -0.085 0.000 0.918 1217 Q HN 0.160 nan 8.270 nan 0.000 0.444 1218 V N 1.175 121.004 119.914 -0.142 0.000 2.261 1218 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 1218 V C 2.189 178.174 176.094 -0.182 0.000 1.047 1218 V CA 1.515 63.650 62.300 -0.274 0.000 1.015 1218 V CB -0.585 31.006 31.823 -0.387 0.000 0.642 1218 V HN 0.317 nan 8.190 nan 0.000 0.446 1219 L N 0.823 121.972 121.223 -0.125 0.000 1.990 1219 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 1219 L C 2.459 179.289 176.870 -0.066 0.000 1.072 1219 L CA 2.657 57.439 54.840 -0.097 0.000 0.755 1219 L CB -0.806 41.217 42.059 -0.061 0.000 0.889 1219 L HN 0.321 nan 8.230 nan 0.000 0.432 1220 K N -0.834 119.551 120.400 -0.025 0.000 2.026 1220 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 1220 K C 2.029 178.661 176.600 0.053 0.000 1.048 1220 K CA 2.054 58.346 56.287 0.009 0.000 0.929 1220 K CB -0.936 31.576 32.500 0.019 0.000 0.713 1220 K HN 0.348 nan 8.250 nan 0.000 0.439 1221 F N 0.523 120.404 119.950 -0.115 0.000 2.069 1221 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 1221 F C 1.878 177.639 175.800 -0.065 0.000 1.113 1221 F CA 1.580 59.518 58.000 -0.103 0.000 1.214 1221 F CB -0.685 38.218 39.000 -0.162 0.000 0.978 1221 F HN -0.104 nan 8.300 nan 0.000 0.474 1222 V N 0.584 120.363 119.914 -0.226 0.000 2.358 1222 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 1222 V C 2.504 178.506 176.094 -0.153 0.000 1.047 1222 V CA 2.176 64.312 62.300 -0.272 0.000 1.035 1222 V CB -0.623 31.048 31.823 -0.254 0.000 0.658 1222 V HN 0.379 nan 8.190 nan 0.000 0.452 1223 M N -0.374 119.161 119.600 -0.109 0.000 2.213 1223 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 1223 M C 1.233 177.605 176.300 0.120 0.000 1.062 1223 M CA 1.381 56.673 55.300 -0.012 0.000 1.105 1223 M CB -0.409 32.167 32.600 -0.039 0.000 1.385 1223 M HN 0.282 nan 8.290 nan 0.000 0.417 1224 D N -0.119 120.291 120.400 0.016 0.000 2.324 1224 D HA 0.131 4.771 4.640 -0.000 0.000 0.235 1224 D C 1.249 177.514 176.300 -0.059 0.000 1.095 1224 D CA 0.697 54.687 54.000 -0.015 0.000 0.871 1224 D CB 0.005 40.796 40.800 -0.015 0.000 0.906 1224 D HN 0.539 nan 8.370 nan 0.000 0.522 1225 G N -0.075 108.758 108.800 0.056 0.000 2.157 1225 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.239 1225 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.239 1225 G C 0.719 175.636 174.900 0.028 0.000 0.982 1225 G CA -0.115 45.035 45.100 0.084 0.000 0.650 1225 G HN 0.592 nan 8.290 nan 0.000 0.527 1226 G N -0.562 108.018 108.800 -0.367 0.000 2.528 1226 G HA2 0.865 4.825 3.960 -0.000 0.000 0.289 1226 G HA3 0.865 4.825 3.960 -0.000 0.000 0.289 1226 G C -0.414 174.235 174.900 -0.417 0.000 1.192 1226 G CA -0.111 44.451 45.100 -0.897 0.000 0.921 1226 G HN 1.445 nan 8.290 nan 0.000 0.512 1227 Y N -2.212 117.868 120.300 -0.367 0.000 2.725 1227 Y HA 0.608 5.158 4.550 -0.000 0.000 0.333 1227 Y C -0.646 175.211 175.900 -0.070 0.000 1.242 1227 Y CA -1.737 56.254 58.100 -0.181 0.000 1.059 1227 Y CB 0.556 38.839 38.460 -0.295 0.000 1.306 1227 Y HN 0.479 nan 8.280 nan 0.000 0.454 1228 L N 2.637 123.588 121.223 -0.453 0.000 2.456 1228 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 1228 L C -0.301 176.500 176.870 -0.115 0.000 1.189 1228 L CA 0.147 54.632 54.840 -0.592 0.000 0.846 1228 L CB 0.061 41.354 42.059 -1.275 0.000 1.111 1228 L HN 0.563 nan 8.230 nan 0.000 0.475 1229 D N 1.484 121.859 120.400 -0.042 0.000 2.339 1229 D HA 0.087 4.727 4.640 -0.000 0.000 0.245 1229 D C 0.030 176.518 176.300 0.314 0.000 1.115 1229 D CA -0.294 53.774 54.000 0.115 0.000 0.917 1229 D CB 0.607 41.452 40.800 0.075 0.000 1.192 1229 D HN 0.275 nan 8.370 nan 0.000 0.428 1230 Q N 2.269 122.226 119.800 0.262 0.000 2.281 1230 Q HA 0.181 4.521 4.340 -0.000 0.000 0.267 1230 Q C -1.963 174.133 176.000 0.160 0.000 1.053 1230 Q CA -1.391 54.559 55.803 0.246 0.000 0.905 1230 Q CB 0.248 29.074 28.738 0.146 0.000 1.195 1230 Q HN 0.266 nan 8.270 nan 0.000 0.398 1231 P HA -0.098 nan 4.420 nan 0.000 0.266 1231 P C -0.465 176.801 177.300 -0.056 0.000 1.193 1231 P CA -0.070 62.987 63.100 -0.071 0.000 0.770 1231 P CB 0.677 32.150 31.700 -0.377 0.000 0.836 1232 D N 2.176 122.544 120.400 -0.053 0.000 2.533 1232 D HA -0.051 4.589 4.640 -0.000 0.000 0.236 1232 D C 0.646 176.908 176.300 -0.063 0.000 1.137 1232 D CA 0.868 54.842 54.000 -0.044 0.000 0.867 1232 D CB -0.628 40.148 40.800 -0.041 0.000 1.170 1232 D HN 0.349 nan 8.370 nan 0.000 0.474 1233 N N -0.395 118.277 118.700 -0.046 0.000 2.754 1233 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 1233 N C -0.538 174.934 175.510 -0.065 0.000 1.093 1233 N CA 0.358 53.377 53.050 -0.051 0.000 0.699 1233 N CB -1.548 36.905 38.487 -0.056 0.000 1.016 1233 N HN 0.431 nan 8.380 nan 0.000 0.552 1234 C N 0.908 120.172 119.300 -0.061 0.000 2.514 1234 C HA 0.436 4.896 4.460 -0.000 0.000 0.392 1234 C C -1.607 173.349 174.990 -0.057 0.000 1.294 1234 C CA -1.745 57.229 59.018 -0.073 0.000 1.957 1234 C CB -0.311 27.390 27.740 -0.065 0.000 2.541 1234 C HN 0.273 nan 8.230 nan 0.000 0.569 1235 P HA 0.101 nan 4.420 nan 0.000 0.266 1235 P C 0.472 177.741 177.300 -0.050 0.000 1.195 1235 P CA 0.374 63.441 63.100 -0.056 0.000 0.768 1235 P CB 0.436 32.098 31.700 -0.063 0.000 0.838 1236 E N 1.961 122.137 120.200 -0.041 0.000 2.150 1236 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 1236 E C 1.741 178.313 176.600 -0.047 0.000 0.985 1236 E CA 0.884 57.262 56.400 -0.036 0.000 0.814 1236 E CB -0.067 29.617 29.700 -0.027 0.000 0.752 1236 E HN 0.399 nan 8.360 nan 0.000 0.466 1237 R N 0.485 120.954 120.500 -0.050 0.000 2.096 1237 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 1237 R C 2.372 178.629 176.300 -0.072 0.000 1.127 1237 R CA 1.071 57.137 56.100 -0.056 0.000 0.968 1237 R CB -0.180 30.088 30.300 -0.053 0.000 0.861 1237 R HN 0.077 nan 8.270 nan 0.000 0.440 1238 V N 0.070 119.935 119.914 -0.081 0.000 2.407 1238 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 1238 V C 2.137 178.152 176.094 -0.130 0.000 1.041 1238 V CA 1.879 64.114 62.300 -0.108 0.000 1.040 1238 V CB -0.460 31.296 31.823 -0.111 0.000 0.671 1238 V HN 0.341 nan 8.190 nan 0.000 0.455 1239 T N 0.033 114.530 114.554 -0.096 0.000 2.720 1239 T HA -0.214 4.135 4.350 -0.000 0.000 0.268 1239 T C 1.618 176.248 174.700 -0.117 0.000 1.037 1239 T CA 1.792 63.840 62.100 -0.087 0.000 1.144 1239 T CB -0.412 68.439 68.868 -0.030 0.000 0.864 1239 T HN 0.500 nan 8.240 nan 0.000 0.444 1240 D N 0.926 121.268 120.400 -0.096 0.000 2.218 1240 D HA -0.016 4.624 4.640 -0.000 0.000 0.204 1240 D C 2.081 178.297 176.300 -0.140 0.000 0.976 1240 D CA 0.656 54.598 54.000 -0.096 0.000 0.853 1240 D CB -0.220 40.539 40.800 -0.069 0.000 0.939 1240 D HN 0.349 nan 8.370 nan 0.000 0.481 1241 L N -0.018 121.107 121.223 -0.163 0.000 2.044 1241 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 1241 L C 2.639 179.305 176.870 -0.341 0.000 1.075 1241 L CA 0.709 55.437 54.840 -0.186 0.000 0.747 1241 L CB -0.243 41.731 42.059 -0.141 0.000 0.903 1241 L HN -0.020 nan 8.230 nan 0.000 0.435 1242 M N -0.496 118.809 119.600 -0.493 0.000 2.117 1242 M HA -0.243 4.237 4.480 -0.000 0.000 0.262 1242 M C 2.931 178.700 176.300 -0.886 0.000 1.065 1242 M CA 2.186 56.889 55.300 -0.996 0.000 1.114 1242 M CB -0.668 31.270 32.600 -1.102 0.000 1.361 1242 M HN 0.280 nan 8.290 nan 0.000 0.408 1243 R N 0.698 120.935 120.500 -0.439 0.000 2.103 1243 R HA -0.140 4.200 4.340 -0.000 0.000 0.242 1243 R C 1.684 177.830 176.300 -0.257 0.000 1.142 1243 R CA 2.326 58.266 56.100 -0.268 0.000 0.960 1243 R CB -1.693 28.528 30.300 -0.132 0.000 0.858 1243 R HN 0.497 nan 8.270 nan 0.000 0.439 1244 M N -0.178 119.277 119.600 -0.242 0.000 2.132 1244 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 1244 M C 2.646 178.831 176.300 -0.192 0.000 1.065 1244 M CA 1.601 56.798 55.300 -0.172 0.000 1.122 1244 M CB -0.365 32.151 32.600 -0.139 0.000 1.365 1244 M HN 0.455 nan 8.290 nan 0.000 0.411 1245 C N -0.781 118.316 119.300 -0.337 0.000 2.432 1245 C HA -0.112 4.348 4.460 -0.000 0.000 0.280 1245 C C 1.448 176.291 174.990 -0.245 0.000 1.353 1245 C CA 0.082 58.904 59.018 -0.325 0.000 1.766 1245 C CB -1.009 26.420 27.740 -0.518 0.000 1.924 1245 C HN 0.639 nan 8.230 nan 0.000 0.509 1246 W N 1.506 122.536 121.300 -0.450 0.000 3.086 1246 W HA 0.329 4.989 4.660 -0.000 0.000 0.436 1246 W C 0.318 176.702 176.519 -0.226 0.000 0.939 1246 W CA -0.801 56.124 57.345 -0.699 0.000 2.108 1246 W CB -1.221 27.632 29.460 -1.013 0.000 1.093 1246 W HN 0.451 nan 8.180 nan 0.000 0.783 1247 Q N 0.274 120.159 119.800 0.141 0.000 2.304 1247 Q HA 0.009 4.349 4.340 -0.000 0.000 0.260 1247 Q C 1.106 177.290 176.000 0.306 0.000 0.965 1247 Q CA -0.216 55.682 55.803 0.158 0.000 0.898 1247 Q CB 1.069 29.861 28.738 0.090 0.000 1.196 1247 Q HN 0.153 nan 8.270 nan 0.000 0.402 1248 F N 2.748 122.789 119.950 0.151 0.000 2.126 1248 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 1248 F C 1.032 176.875 175.800 0.071 0.000 1.096 1248 F CA 1.186 59.259 58.000 0.122 0.000 1.255 1248 F CB 0.236 39.269 39.000 0.056 0.000 0.997 1248 F HN 0.511 nan 8.300 nan 0.000 0.479 1249 N N 1.427 120.268 118.700 0.236 0.000 2.411 1249 N HA 0.095 4.835 4.740 -0.000 0.000 0.259 1249 N C -1.679 173.864 175.510 0.054 0.000 1.103 1249 N CA -2.305 50.819 53.050 0.122 0.000 0.954 1249 N CB 0.964 39.533 38.487 0.137 0.000 1.085 1249 N HN -0.008 nan 8.380 nan 0.000 0.485 1250 P HA -0.156 nan 4.420 nan 0.000 0.218 1250 P C 0.183 177.498 177.300 0.024 0.000 1.148 1250 P CA 1.236 64.342 63.100 0.010 0.000 0.822 1250 P CB 0.096 31.776 31.700 -0.033 0.000 0.784 1251 N N -1.416 117.297 118.700 0.023 0.000 2.521 1251 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 1251 N C 1.380 176.903 175.510 0.022 0.000 1.146 1251 N CA 0.666 53.729 53.050 0.021 0.000 0.893 1251 N CB -0.770 37.729 38.487 0.021 0.000 0.975 1251 N HN 0.102 nan 8.380 nan 0.000 0.451 1252 M N -0.322 119.297 119.600 0.031 0.000 2.414 1252 M HA 0.180 4.660 4.480 -0.000 0.000 0.251 1252 M C 0.092 176.399 176.300 0.013 0.000 1.116 1252 M CA 0.127 55.444 55.300 0.028 0.000 1.056 1252 M CB 0.084 32.712 32.600 0.047 0.000 1.388 1252 M HN 0.106 nan 8.290 nan 0.000 0.487 1253 R N 1.882 122.390 120.500 0.014 0.000 2.441 1253 R HA 0.261 4.601 4.340 -0.000 0.000 0.284 1253 R C -2.053 174.214 176.300 -0.056 0.000 1.070 1253 R CA -1.327 54.764 56.100 -0.014 0.000 1.047 1253 R CB 0.031 30.341 30.300 0.017 0.000 1.016 1253 R HN 0.054 nan 8.270 nan 0.000 0.477 1254 P HA -0.005 nan 4.420 nan 0.000 0.273 1254 P C -0.388 176.799 177.300 -0.189 0.000 1.250 1254 P CA -0.298 62.734 63.100 -0.113 0.000 0.793 1254 P CB 0.622 32.252 31.700 -0.116 0.000 1.011 1255 T N -2.700 111.762 114.554 -0.152 0.000 2.862 1255 T HA 0.301 4.651 4.350 -0.000 0.000 0.276 1255 T C 1.080 175.623 174.700 -0.261 0.000 0.974 1255 T CA -0.345 61.650 62.100 -0.174 0.000 0.966 1255 T CB 0.100 68.963 68.868 -0.007 0.000 1.072 1255 T HN 0.107 nan 8.240 nan 0.000 0.538 1256 F N -0.103 119.828 119.950 -0.031 0.000 2.186 1256 F HA 0.135 4.662 4.527 -0.000 0.000 0.299 1256 F C 2.276 178.077 175.800 0.003 0.000 1.090 1256 F CA 0.834 58.779 58.000 -0.092 0.000 1.307 1256 F CB -0.748 38.205 39.000 -0.079 0.000 1.019 1256 F HN 0.397 nan 8.300 nan 0.000 0.489 1257 L N -0.368 121.014 121.223 0.265 0.000 2.046 1257 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 1257 L C 2.296 179.293 176.870 0.211 0.000 1.077 1257 L CA 1.482 56.515 54.840 0.323 0.000 0.747 1257 L CB -0.636 41.607 42.059 0.306 0.000 0.896 1257 L HN 0.163 nan 8.230 nan 0.000 0.432 1258 E N -0.092 120.166 120.200 0.096 0.000 2.110 1258 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 1258 E C 2.223 178.808 176.600 -0.026 0.000 0.988 1258 E CA 0.877 57.299 56.400 0.036 0.000 0.804 1258 E CB 0.117 29.812 29.700 -0.008 0.000 0.745 1258 E HN 0.338 nan 8.360 nan 0.000 0.458 1259 I N 0.528 121.060 120.570 -0.064 0.000 2.142 1259 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 1259 I C 2.373 178.422 176.117 -0.112 0.000 1.078 1259 I CA 1.063 62.310 61.300 -0.088 0.000 1.343 1259 I CB -1.058 36.855 38.000 -0.144 0.000 1.046 1259 I HN 0.029 nan 8.210 nan 0.000 0.405 1260 V N 1.453 121.283 119.914 -0.139 0.000 2.343 1260 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 1260 V C 2.280 178.044 176.094 -0.551 0.000 1.051 1260 V CA 2.155 64.254 62.300 -0.334 0.000 1.036 1260 V CB -1.147 30.458 31.823 -0.363 0.000 0.654 1260 V HN 0.436 nan 8.190 nan 0.000 0.451 1261 N N 0.116 118.542 118.700 -0.458 0.000 2.289 1261 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 1261 N C 1.509 176.934 175.510 -0.142 0.000 1.016 1261 N CA 1.069 53.959 53.050 -0.266 0.000 0.872 1261 N CB -0.227 38.335 38.487 0.124 0.000 0.973 1261 N HN 0.359 nan 8.380 nan 0.000 0.433 1262 L N -0.114 121.034 121.223 -0.126 0.000 2.179 1262 L HA 0.172 4.512 4.340 -0.000 0.000 0.208 1262 L C 1.498 178.304 176.870 -0.107 0.000 1.096 1262 L CA 1.249 56.037 54.840 -0.087 0.000 0.779 1262 L CB -0.110 41.908 42.059 -0.069 0.000 0.922 1262 L HN 0.270 nan 8.230 nan 0.000 0.443 1263 L N -1.168 119.958 121.223 -0.162 0.000 2.616 1263 L HA 0.044 4.384 4.340 -0.000 0.000 0.229 1263 L C 2.160 178.901 176.870 -0.214 0.000 1.110 1263 L CA 0.120 54.856 54.840 -0.173 0.000 0.884 1263 L CB -0.430 41.515 42.059 -0.189 0.000 1.115 1263 L HN 0.218 nan 8.230 nan 0.000 0.481 1264 K N -0.121 120.139 120.400 -0.234 0.000 2.173 1264 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 1264 K C 0.729 177.294 176.600 -0.058 0.000 1.046 1264 K CA 1.939 58.127 56.287 -0.166 0.000 0.929 1264 K CB -0.270 32.173 32.500 -0.095 0.000 0.720 1264 K HN 0.255 nan 8.250 nan 0.000 0.453 1265 D N 1.033 121.403 120.400 -0.050 0.000 2.340 1265 D HA -0.009 4.631 4.640 -0.000 0.000 0.220 1265 D C -0.036 176.240 176.300 -0.040 0.000 1.039 1265 D CA 0.544 54.531 54.000 -0.021 0.000 0.866 1265 D CB 0.267 41.062 40.800 -0.008 0.000 0.913 1265 D HN 0.339 nan 8.370 nan 0.000 0.523 1266 D N 0.822 121.179 120.400 -0.072 0.000 2.788 1266 D HA 0.185 4.825 4.640 -0.000 0.000 0.289 1266 D C 0.409 176.660 176.300 -0.081 0.000 1.340 1266 D CA -0.027 53.934 54.000 -0.065 0.000 0.831 1266 D CB 1.251 42.013 40.800 -0.064 0.000 1.103 1266 D HN 0.125 nan 8.370 nan 0.000 0.476 1267 L N -0.281 120.889 121.223 -0.088 0.000 2.303 1267 L HA 0.329 4.669 4.340 -0.000 0.000 0.266 1267 L C 0.719 177.611 176.870 0.037 0.000 1.011 1267 L CA -1.065 53.724 54.840 -0.084 0.000 0.818 1267 L CB 1.941 43.828 42.059 -0.285 0.000 1.326 1267 L HN 0.110 nan 8.230 nan 0.000 0.435 1268 H N 1.693 120.778 119.070 0.026 0.000 2.948 1268 H HA 0.011 4.567 4.556 -0.000 0.000 0.351 1268 H C -1.890 173.492 175.328 0.090 0.000 1.079 1268 H CA -0.748 55.342 56.048 0.071 0.000 1.407 1268 H CB 1.619 31.445 29.762 0.108 0.000 1.373 1268 H HN 0.297 nan 8.280 nan 0.000 0.605 1269 P HA -0.170 nan 4.420 nan 0.000 0.218 1269 P C 1.369 178.717 177.300 0.079 0.000 1.146 1269 P CA 2.010 65.041 63.100 -0.115 0.000 0.813 1269 P CB 0.123 31.681 31.700 -0.235 0.000 0.778 1270 S N -2.584 113.316 115.700 0.332 0.000 2.496 1270 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 1270 S C 1.754 176.444 174.600 0.151 0.000 0.996 1270 S CA -0.138 58.201 58.200 0.232 0.000 0.927 1270 S CB -1.484 61.864 63.200 0.247 0.000 0.774 1270 S HN -0.021 nan 8.310 nan 0.000 0.524 1271 F N 4.039 124.053 119.950 0.106 0.000 2.063 1271 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 1271 F C -1.123 174.671 175.800 -0.010 0.000 1.109 1271 F CA 1.425 59.477 58.000 0.086 0.000 1.212 1271 F CB -1.301 37.762 39.000 0.106 0.000 0.973 1271 F HN 0.230 nan 8.300 nan 0.000 0.480 1272 P HA -0.133 nan 4.420 nan 0.000 0.222 1272 P C 1.232 178.401 177.300 -0.217 0.000 1.147 1272 P CA 1.409 64.221 63.100 -0.481 0.000 0.790 1272 P CB -0.080 31.320 31.700 -0.498 0.000 0.780 1273 E N -0.637 119.474 120.200 -0.148 0.000 2.158 1273 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 1273 E C 1.741 178.239 176.600 -0.169 0.000 0.982 1273 E CA 1.299 57.627 56.400 -0.121 0.000 0.823 1273 E CB -0.296 29.350 29.700 -0.089 0.000 0.766 1273 E HN 0.291 nan 8.360 nan 0.000 0.468 1274 V N -1.567 118.190 119.914 -0.263 0.000 3.604 1274 V HA 0.203 4.323 4.120 -0.000 0.000 0.277 1274 V C 0.962 176.896 176.094 -0.267 0.000 1.399 1274 V CA 0.077 62.162 62.300 -0.358 0.000 1.034 1274 V CB 0.202 31.543 31.823 -0.803 0.000 0.824 1274 V HN 0.050 nan 8.190 nan 0.000 0.439 1275 S N 0.179 115.713 115.700 -0.277 0.000 2.576 1275 S HA 0.309 4.779 4.470 -0.000 0.000 0.276 1275 S C 0.657 175.318 174.600 0.102 0.000 1.339 1275 S CA 0.129 58.231 58.200 -0.163 0.000 1.039 1275 S CB 0.882 63.746 63.200 -0.560 0.000 0.902 1275 S HN 0.492 nan 8.310 nan 0.000 0.516 1276 F N 3.051 123.069 119.950 0.112 0.000 2.206 1276 F HA 0.039 4.566 4.527 -0.000 0.000 0.298 1276 F C 1.594 177.503 175.800 0.180 0.000 1.090 1276 F CA 0.783 58.873 58.000 0.150 0.000 1.323 1276 F CB -0.679 38.460 39.000 0.231 0.000 1.028 1276 F HN 0.752 nan 8.300 nan 0.000 0.492 1277 F N 1.022 120.906 119.950 -0.109 0.000 2.120 1277 F HA -0.274 4.253 4.527 -0.000 0.000 0.300 1277 F C 2.025 177.621 175.800 -0.340 0.000 1.095 1277 F CA 2.430 60.282 58.000 -0.246 0.000 1.249 1277 F CB -0.698 38.282 39.000 -0.033 0.000 0.995 1277 F HN 0.102 nan 8.300 nan 0.000 0.480 1278 H N -0.914 118.177 119.070 0.035 0.000 2.539 1278 H HA 0.206 4.762 4.556 -0.000 0.000 0.269 1278 H C 1.109 176.362 175.328 -0.125 0.000 0.980 1278 H CA 0.339 56.362 56.048 -0.042 0.000 1.152 1278 H CB -0.286 29.538 29.762 0.103 0.000 1.407 1278 H HN 0.143 nan 8.280 nan 0.000 0.564 1279 S N -0.007 115.645 115.700 -0.079 0.000 2.614 1279 S HA 0.234 4.704 4.470 -0.000 0.000 0.265 1279 S C 1.652 176.181 174.600 -0.118 0.000 1.303 1279 S CA -0.046 58.114 58.200 -0.068 0.000 1.000 1279 S CB 1.331 64.522 63.200 -0.014 0.000 0.935 1279 S HN 0.510 nan 8.310 nan 0.000 0.551 1280 E N -0.026 120.145 120.200 -0.048 0.000 2.338 1280 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 1280 E C 1.647 178.229 176.600 -0.030 0.000 1.007 1280 E CA 1.297 57.672 56.400 -0.042 0.000 0.849 1280 E CB -0.857 28.838 29.700 -0.008 0.000 0.774 1280 E HN 0.905 nan 8.360 nan 0.000 0.506 1281 E N 0.186 120.390 120.200 0.008 0.000 2.347 1281 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 1281 E C 0.597 177.226 176.600 0.049 0.000 1.008 1281 E CA 0.400 56.864 56.400 0.107 0.000 0.852 1281 E CB -0.038 29.836 29.700 0.290 0.000 0.783 1281 E HN 0.386 nan 8.360 nan 0.000 0.505 1282 N N 0.780 119.328 118.700 -0.254 0.000 2.807 1282 N HA 0.087 4.827 4.740 -0.000 0.000 0.259 1282 N C -0.894 174.482 175.510 -0.223 0.000 1.149 1282 N CA 0.108 52.895 53.050 -0.438 0.000 1.042 1282 N CB 0.293 38.205 38.487 -0.957 0.000 1.367 1282 N HN 0.056 nan 8.380 nan 0.000 0.516 1283 K N 0.000 120.354 120.400 -0.076 0.000 2.780 1283 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1283 K CA 0.000 56.254 56.287 -0.055 0.000 0.838 1283 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543