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 3dls_1_E DATA FIRST_RESID 982 DATA SEQUENCE AVELEGLAAC EGEYSQKYST MSPLGSGAFG FVWTAVDKEK NKEVVVKFIK DATA SEQUENCE KEKVXXXXWI EDPKLGKVTL EIAILSRVEH ANIIKVLDIF ENQGFFQLVM DATA SEQUENCE EKHGSGLDLF AFIDRHPRLD EPLASYIFRQ LVSAVGYLRL KDIIHRDIKD DATA SEQUENCE ENIVIAEDFT IKLIDFGSAA YLERGKLFYT FCGTIEYCAP EVLMGNPYRG DATA SEQUENCE PELEMWSLGV TLYTLVFEEN PFCELEETVE AAIHPPYLVS KELMSLVSGL DATA SEQUENCE LQPVPERRTT LEKLVTDPWV TQPVNLADYT WEEVFR 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 982 A HA 0.000 nan 4.320 nan 0.000 0.244 982 A C 0.000 177.596 177.584 0.021 0.000 1.274 982 A CA 0.000 52.047 52.037 0.017 0.000 0.836 982 A CB 0.000 19.009 19.000 0.016 0.000 0.831 983 V N 2.957 122.881 119.914 0.017 0.000 2.450 983 V HA 0.105 4.223 4.120 -0.003 0.000 0.281 983 V C 0.693 176.799 176.094 0.020 0.000 1.019 983 V CA 0.364 62.676 62.300 0.020 0.000 1.062 983 V CB 0.391 32.219 31.823 0.008 0.000 0.979 983 V HN 0.837 nan 8.190 nan 0.000 0.477 984 E N 4.288 124.511 120.200 0.037 0.000 2.316 984 E HA 0.238 4.586 4.350 -0.003 0.000 0.275 984 E C -0.831 175.793 176.600 0.039 0.000 1.029 984 E CA -0.715 55.709 56.400 0.040 0.000 0.871 984 E CB 0.879 30.614 29.700 0.059 0.000 1.022 984 E HN 0.338 nan 8.360 nan 0.000 0.418 985 L N 4.146 125.380 121.223 0.017 0.000 2.302 985 L HA 0.079 4.417 4.340 -0.003 0.000 0.285 985 L C 0.703 177.568 176.870 -0.008 0.000 1.090 985 L CA 0.435 55.270 54.840 -0.009 0.000 0.866 985 L CB 0.284 42.325 42.059 -0.029 0.000 1.244 985 L HN 0.549 nan 8.230 nan 0.000 0.435 986 E N 1.890 122.091 120.200 0.002 0.000 2.451 986 E HA 0.153 4.502 4.350 -0.003 0.000 0.194 986 E C 1.618 178.096 176.600 -0.204 0.000 1.027 986 E CA 0.147 56.550 56.400 0.005 0.000 0.914 986 E CB 0.785 30.620 29.700 0.224 0.000 1.054 986 E HN 0.780 nan 8.360 nan 0.000 0.461 987 G N 1.385 110.055 108.800 -0.216 0.000 2.459 987 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.217 987 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.217 987 G C 1.561 176.254 174.900 -0.346 0.000 1.183 987 G CA 0.400 45.301 45.100 -0.331 0.000 0.776 987 G HN 0.230 nan 8.290 nan 0.000 0.552 988 L N 0.538 121.631 121.223 -0.216 0.000 2.217 988 L HA 0.114 4.453 4.340 -0.003 0.000 0.211 988 L C 3.216 179.986 176.870 -0.166 0.000 1.107 988 L CA 0.756 55.499 54.840 -0.162 0.000 0.783 988 L CB -0.328 41.674 42.059 -0.096 0.000 0.919 988 L HN 0.297 nan 8.230 nan 0.000 0.442 989 A N 0.203 122.909 122.820 -0.190 0.000 2.016 989 A HA 0.101 4.419 4.320 -0.003 0.000 0.217 989 A C 2.508 179.860 177.584 -0.387 0.000 1.162 989 A CA 1.189 53.142 52.037 -0.140 0.000 0.662 989 A CB -0.354 18.672 19.000 0.045 0.000 0.812 989 A HN 0.338 nan 8.150 nan 0.000 0.450 990 A N -1.464 120.831 122.820 -0.875 0.000 2.014 990 A HA -0.039 4.279 4.320 -0.003 0.000 0.218 990 A C 1.817 179.119 177.584 -0.471 0.000 1.163 990 A CA 1.536 52.779 52.037 -1.322 0.000 0.652 990 A CB -0.704 17.207 19.000 -1.815 0.000 0.808 990 A HN 0.569 nan 8.150 nan 0.000 0.449 991 C N -0.197 118.938 119.300 -0.275 0.000 3.038 991 C HA 0.277 4.735 4.460 -0.003 0.000 0.279 991 C C 0.822 175.880 174.990 0.113 0.000 1.276 991 C CA -0.462 58.606 59.018 0.083 0.000 1.697 991 C CB -1.274 26.523 27.740 0.095 0.000 2.032 991 C HN 0.677 nan 8.230 nan 0.000 0.636 992 E N 1.324 121.530 120.200 0.010 0.000 2.480 992 E HA 0.406 4.754 4.350 -0.003 0.000 0.258 992 E C 1.010 177.635 176.600 0.041 0.000 0.984 992 E CA 1.701 58.111 56.400 0.017 0.000 0.930 992 E CB -0.159 29.544 29.700 0.004 0.000 0.936 992 E HN 0.568 nan 8.360 nan 0.000 0.466 993 G N 4.327 113.132 108.800 0.008 0.000 2.503 993 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.235 993 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.235 993 G C 0.834 175.683 174.900 -0.085 0.000 1.179 993 G CA 0.090 45.179 45.100 -0.018 0.000 0.944 993 G HN 0.633 nan 8.290 nan 0.000 0.580 994 E N -0.852 119.269 120.200 -0.131 0.000 2.160 994 E HA -0.181 4.167 4.350 -0.003 0.000 0.195 994 E C 2.081 178.258 176.600 -0.706 0.000 0.991 994 E CA 1.986 58.187 56.400 -0.332 0.000 0.810 994 E CB -0.171 29.389 29.700 -0.233 0.000 0.742 994 E HN 0.521 nan 8.360 nan 0.000 0.466 995 Y N 0.753 120.598 120.300 -0.759 0.000 2.145 995 Y HA -0.218 4.331 4.550 -0.003 0.000 0.286 995 Y C 2.389 178.176 175.900 -0.189 0.000 1.145 995 Y CA 1.990 59.757 58.100 -0.554 0.000 1.148 995 Y CB -0.407 38.002 38.460 -0.085 0.000 0.981 995 Y HN -0.071 nan 8.280 nan 0.000 0.507 996 S N 0.262 115.833 115.700 -0.216 0.000 2.419 996 S HA -0.181 4.287 4.470 -0.003 0.000 0.233 996 S C 1.777 176.228 174.600 -0.248 0.000 1.016 996 S CA 1.053 59.117 58.200 -0.227 0.000 0.974 996 S CB -0.230 62.930 63.200 -0.067 0.000 0.786 996 S HN 0.527 nan 8.310 nan 0.000 0.492 997 Q N 0.871 120.519 119.800 -0.253 0.000 2.119 997 Q HA -0.040 4.298 4.340 -0.003 0.000 0.201 997 Q C 2.527 178.360 176.000 -0.278 0.000 0.972 997 Q CA 1.734 57.404 55.803 -0.222 0.000 0.847 997 Q CB -0.393 28.232 28.738 -0.187 0.000 0.903 997 Q HN 0.718 nan 8.270 nan 0.000 0.433 998 K N -0.363 119.795 120.400 -0.403 0.000 2.262 998 K HA 0.096 4.414 4.320 -0.003 0.000 0.200 998 K C 0.299 176.461 176.600 -0.730 0.000 1.058 998 K CA 0.699 56.654 56.287 -0.553 0.000 0.974 998 K CB 0.211 32.353 32.500 -0.597 0.000 0.910 998 K HN 0.176 nan 8.250 nan 0.000 0.484 999 Y N -0.238 119.798 120.300 -0.440 0.000 2.446 999 Y HA 0.569 5.117 4.550 -0.003 0.000 0.345 999 Y C 0.164 175.776 175.900 -0.481 0.000 0.984 999 Y CA -1.329 56.508 58.100 -0.439 0.000 1.058 999 Y CB 2.518 40.699 38.460 -0.465 0.000 1.220 999 Y HN 0.049 nan 8.280 nan 0.000 0.455 1000 S N 1.109 116.771 115.700 -0.064 0.000 2.475 1000 S HA 0.512 4.980 4.470 -0.003 0.000 0.298 1000 S C -0.588 174.069 174.600 0.096 0.000 1.119 1000 S CA -0.548 57.640 58.200 -0.020 0.000 1.085 1000 S CB 0.519 63.715 63.200 -0.007 0.000 1.028 1000 S HN 0.637 nan 8.310 nan 0.000 0.489 1001 T N 6.625 121.259 114.554 0.134 0.000 2.780 1001 T HA 0.274 4.622 4.350 -0.003 0.000 0.294 1001 T C 0.864 175.676 174.700 0.187 0.000 0.949 1001 T CA -0.603 61.618 62.100 0.202 0.000 1.074 1001 T CB 0.877 69.831 68.868 0.143 0.000 0.910 1001 T HN 0.539 nan 8.240 nan 0.000 0.501 1002 M N 1.649 121.418 119.600 0.283 0.000 2.643 1002 M HA 0.278 4.756 4.480 -0.003 0.000 0.209 1002 M C 0.958 177.522 176.300 0.439 0.000 1.328 1002 M CA 0.393 55.862 55.300 0.281 0.000 1.305 1002 M CB -1.126 31.599 32.600 0.208 0.000 1.048 1002 M HN 0.605 nan 8.290 nan 0.000 0.504 1003 S N 0.984 116.952 115.700 0.448 0.000 2.548 1003 S HA 0.717 5.185 4.470 -0.003 0.000 0.286 1003 S C -2.815 171.882 174.600 0.161 0.000 1.098 1003 S CA -1.418 56.989 58.200 0.345 0.000 0.930 1003 S CB 2.122 65.408 63.200 0.142 0.000 1.070 1003 S HN 0.059 nan 8.310 nan 0.000 0.480 1004 P HA 0.386 nan 4.420 nan 0.000 0.273 1004 P C -0.923 176.162 177.300 -0.360 0.000 1.250 1004 P CA -0.475 62.126 63.100 -0.833 0.000 0.793 1004 P CB 0.532 31.577 31.700 -1.092 0.000 1.011 1005 L N -0.492 120.550 121.223 -0.302 0.000 2.376 1005 L HA 0.721 5.059 4.340 -0.003 0.000 0.258 1005 L C 0.710 177.504 176.870 -0.127 0.000 1.013 1005 L CA -0.233 54.522 54.840 -0.141 0.000 0.822 1005 L CB 1.982 44.015 42.059 -0.043 0.000 1.388 1005 L HN 0.800 nan 8.230 nan 0.000 0.413 1006 G N 0.244 108.999 108.800 -0.074 0.000 2.428 1006 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.202 1006 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.202 1006 G C 0.381 175.244 174.900 -0.061 0.000 1.247 1006 G CA -0.045 45.022 45.100 -0.056 0.000 1.020 1006 G HN 0.549 nan 8.290 nan 0.000 0.529 1007 S N 0.058 115.714 115.700 -0.073 0.000 2.353 1007 S HA 0.364 4.833 4.470 -0.003 0.000 0.222 1007 S C 1.300 175.851 174.600 -0.082 0.000 1.035 1007 S CA 2.459 60.613 58.200 -0.076 0.000 1.025 1007 S CB -0.625 62.502 63.200 -0.122 0.000 0.902 1007 S HN 2.356 nan 8.310 nan 0.000 0.440 1008 G N -1.708 107.023 108.800 -0.115 0.000 2.339 1008 G HA2 0.546 4.505 3.960 -0.003 0.000 0.302 1008 G HA3 0.546 4.505 3.960 -0.003 0.000 0.302 1008 G C -0.598 174.207 174.900 -0.159 0.000 1.425 1008 G CA -0.277 44.729 45.100 -0.157 0.000 0.899 1008 G HN 1.226 nan 8.290 nan 0.000 0.619 1009 A N -0.654 122.030 122.820 -0.227 0.000 3.243 1009 A HA 0.356 4.674 4.320 -0.003 0.000 0.260 1009 A C 1.058 178.628 177.584 -0.023 0.000 1.365 1009 A CA 0.768 52.736 52.037 -0.116 0.000 0.771 1009 A CB -2.281 16.715 19.000 -0.008 0.000 1.025 1009 A HN 2.525 nan 8.150 nan 0.000 0.527 1010 F N -2.617 117.201 119.950 -0.220 0.000 2.169 1010 F HA 0.039 4.564 4.527 -0.003 0.000 0.314 1010 F C 2.133 177.733 175.800 -0.333 0.000 0.318 1010 F CA 2.393 60.178 58.000 -0.357 0.000 0.904 1010 F CB -1.430 37.460 39.000 -0.183 0.000 4.078 1010 F HN 2.433 nan 8.300 nan 0.000 0.173 1011 G N -1.942 106.874 108.800 0.027 0.000 2.255 1011 G HA2 0.128 4.086 3.960 -0.003 0.000 0.216 1011 G HA3 0.128 4.086 3.960 -0.003 0.000 0.216 1011 G C -0.534 174.466 174.900 0.168 0.000 1.307 1011 G CA -0.339 44.703 45.100 -0.096 0.000 1.162 1011 G HN 0.843 nan 8.290 nan 0.000 0.494 1012 F N 0.600 120.786 119.950 0.395 0.000 2.695 1012 F HA 0.472 4.997 4.527 -0.003 0.000 0.303 1012 F C 1.090 177.256 175.800 0.611 0.000 1.091 1012 F CA -0.389 57.960 58.000 0.581 0.000 1.300 1012 F CB 1.018 40.260 39.000 0.404 0.000 1.071 1012 F HN 0.255 nan 8.300 nan 0.000 0.578 1013 V N -0.302 119.915 119.914 0.504 0.000 2.417 1013 V HA 0.365 4.483 4.120 -0.003 0.000 0.291 1013 V C -0.969 175.245 176.094 0.199 0.000 1.024 1013 V CA -0.833 61.662 62.300 0.325 0.000 0.861 1013 V CB 1.093 33.003 31.823 0.144 0.000 0.985 1013 V HN 0.103 nan 8.190 nan 0.000 0.436 1014 W N 1.106 122.491 121.300 0.141 0.000 3.062 1014 W HA 0.611 5.269 4.660 -0.003 0.000 0.336 1014 W C -0.098 176.476 176.519 0.093 0.000 1.224 1014 W CA -0.650 56.789 57.345 0.157 0.000 1.159 1014 W CB 1.650 31.276 29.460 0.276 0.000 1.454 1014 W HN 0.313 nan 8.180 nan 0.000 0.569 1015 T N 2.045 116.808 114.554 0.348 0.000 2.806 1015 T HA 0.711 5.059 4.350 -0.003 0.000 0.290 1015 T C -0.061 174.801 174.700 0.271 0.000 0.966 1015 T CA -0.149 62.089 62.100 0.230 0.000 1.060 1015 T CB 0.756 69.717 68.868 0.155 0.000 0.927 1015 T HN 0.498 nan 8.240 nan 0.000 0.485 1016 A N 2.783 125.726 122.820 0.204 0.000 2.387 1016 A HA 0.907 5.225 4.320 -0.003 0.000 0.298 1016 A C -0.994 176.702 177.584 0.186 0.000 1.165 1016 A CA -0.689 51.477 52.037 0.216 0.000 0.814 1016 A CB 1.411 20.556 19.000 0.242 0.000 1.357 1016 A HN 0.632 nan 8.150 nan 0.000 0.443 1017 V N 1.284 121.317 119.914 0.198 0.000 2.638 1017 V HA 0.280 4.398 4.120 -0.003 0.000 0.306 1017 V C -0.849 175.352 176.094 0.178 0.000 1.052 1017 V CA -0.745 61.654 62.300 0.165 0.000 0.885 1017 V CB 1.803 33.685 31.823 0.098 0.000 0.999 1017 V HN 0.955 nan 8.190 nan 0.000 0.424 1018 D N 3.571 124.072 120.400 0.169 0.000 2.390 1018 D HA 0.133 4.771 4.640 -0.003 0.000 0.249 1018 D C 0.329 176.599 176.300 -0.050 0.000 1.144 1018 D CA -0.041 53.965 54.000 0.011 0.000 0.880 1018 D CB 1.130 41.955 40.800 0.041 0.000 1.182 1018 D HN 0.472 nan 8.370 nan 0.000 0.451 1019 K N 3.018 123.341 120.400 -0.128 0.000 3.041 1019 K HA 0.122 4.440 4.320 -0.003 0.000 0.243 1019 K C 0.526 177.074 176.600 -0.086 0.000 1.167 1019 K CA -0.011 56.220 56.287 -0.093 0.000 1.235 1019 K CB 0.867 33.302 32.500 -0.109 0.000 1.205 1019 K HN 0.442 nan 8.250 nan 0.000 0.448 1020 E N -0.288 119.869 120.200 -0.071 0.000 3.863 1020 E HA -0.002 4.346 4.350 -0.003 0.000 0.197 1020 E C 1.804 178.387 176.600 -0.029 0.000 1.299 1020 E CA 0.102 56.470 56.400 -0.053 0.000 1.522 1020 E CB 0.109 29.771 29.700 -0.064 0.000 1.732 1020 E HN 0.110 nan 8.360 nan 0.000 0.560 1021 K N 1.342 121.730 120.400 -0.021 0.000 2.418 1021 K HA 0.056 4.374 4.320 -0.003 0.000 0.195 1021 K C 0.604 177.205 176.600 0.003 0.000 1.035 1021 K CA 0.730 57.014 56.287 -0.005 0.000 1.003 1021 K CB -0.578 31.925 32.500 0.004 0.000 0.793 1021 K HN 0.271 nan 8.250 nan 0.000 0.494 1022 N N -0.318 118.384 118.700 0.004 0.000 2.726 1022 N HA -0.129 4.609 4.740 -0.003 0.000 0.253 1022 N C -0.446 175.080 175.510 0.028 0.000 1.059 1022 N CA 1.304 54.362 53.050 0.014 0.000 0.701 1022 N CB -1.817 36.674 38.487 0.007 0.000 0.899 1022 N HN 0.868 nan 8.380 nan 0.000 0.548 1023 K N 0.496 120.923 120.400 0.046 0.000 2.259 1023 K HA 0.497 4.815 4.320 -0.003 0.000 0.252 1023 K C 0.222 176.868 176.600 0.077 0.000 0.936 1023 K CA -0.595 55.722 56.287 0.051 0.000 0.810 1023 K CB 1.311 33.839 32.500 0.047 0.000 1.143 1023 K HN 0.250 nan 8.250 nan 0.000 0.427 1024 E N 0.974 121.210 120.200 0.059 0.000 2.344 1024 E HA 0.339 4.687 4.350 -0.003 0.000 0.270 1024 E C 0.181 176.822 176.600 0.069 0.000 1.021 1024 E CA -0.272 56.169 56.400 0.068 0.000 0.887 1024 E CB 1.016 30.742 29.700 0.044 0.000 0.997 1024 E HN 0.557 nan 8.360 nan 0.000 0.429 1025 V N 0.006 119.970 119.914 0.083 0.000 3.155 1025 V HA 0.644 4.762 4.120 -0.003 0.000 0.313 1025 V C -0.484 175.633 176.094 0.038 0.000 1.162 1025 V CA -0.955 61.372 62.300 0.046 0.000 1.048 1025 V CB 1.978 33.812 31.823 0.019 0.000 1.092 1025 V HN 0.301 nan 8.190 nan 0.000 0.447 1026 V N 1.355 121.271 119.914 0.004 0.000 2.495 1026 V HA 0.628 4.746 4.120 -0.003 0.000 0.298 1026 V C -0.276 175.792 176.094 -0.043 0.000 1.031 1026 V CA -0.467 61.843 62.300 0.018 0.000 0.871 1026 V CB 1.569 33.406 31.823 0.024 0.000 0.988 1026 V HN 0.892 nan 8.190 nan 0.000 0.432 1027 V N 5.603 125.497 119.914 -0.032 0.000 2.459 1027 V HA 0.613 4.731 4.120 -0.003 0.000 0.295 1027 V C -0.342 175.614 176.094 -0.230 0.000 1.029 1027 V CA -0.600 61.565 62.300 -0.225 0.000 0.874 1027 V CB 1.709 33.289 31.823 -0.405 0.000 0.985 1027 V HN 0.923 nan 8.190 nan 0.000 0.438 1028 K N 5.890 126.126 120.400 -0.274 0.000 2.339 1028 K HA 0.522 4.840 4.320 -0.003 0.000 0.264 1028 K C -1.455 175.016 176.600 -0.215 0.000 0.986 1028 K CA -0.505 55.714 56.287 -0.113 0.000 0.866 1028 K CB 0.930 33.421 32.500 -0.015 0.000 1.103 1028 K HN 0.585 nan 8.250 nan 0.000 0.441 1029 F N 5.219 125.266 119.950 0.162 0.000 2.424 1029 F HA 0.348 4.873 4.527 -0.003 0.000 0.356 1029 F C 0.288 176.101 175.800 0.022 0.000 1.110 1029 F CA -0.531 57.552 58.000 0.138 0.000 1.161 1029 F CB 0.660 39.779 39.000 0.197 0.000 1.115 1029 F HN 0.269 nan 8.300 nan 0.000 0.507 1030 I N 4.070 124.770 120.570 0.217 0.000 2.359 1030 I HA 0.194 4.363 4.170 -0.003 0.000 0.284 1030 I C -0.057 175.999 176.117 -0.101 0.000 1.018 1030 I CA -0.682 60.620 61.300 0.003 0.000 1.173 1030 I CB 1.117 39.149 38.000 0.053 0.000 1.326 1030 I HN 0.484 nan 8.210 nan 0.000 0.462 1031 K N 5.446 125.549 120.400 -0.495 0.000 2.383 1031 K HA 0.114 4.432 4.320 -0.003 0.000 0.286 1031 K C 0.846 177.220 176.600 -0.376 0.000 1.051 1031 K CA -0.162 55.624 56.287 -0.835 0.000 0.974 1031 K CB 0.819 32.786 32.500 -0.887 0.000 0.968 1031 K HN 0.372 nan 8.250 nan 0.000 0.475 1032 K N 2.826 123.064 120.400 -0.271 0.000 2.097 1032 K HA -0.204 4.114 4.320 -0.003 0.000 0.206 1032 K C 2.143 178.796 176.600 0.088 0.000 1.049 1032 K CA 2.029 58.346 56.287 0.050 0.000 0.933 1032 K CB -0.012 32.534 32.500 0.077 0.000 0.717 1032 K HN 0.775 nan 8.250 nan 0.000 0.442 1033 E N 1.414 121.580 120.200 -0.056 0.000 2.265 1033 E HA -0.190 4.158 4.350 -0.003 0.000 0.196 1033 E C 1.458 178.063 176.600 0.008 0.000 0.996 1033 E CA 1.435 57.826 56.400 -0.015 0.000 0.832 1033 E CB -0.517 29.147 29.700 -0.059 0.000 0.756 1033 E HN 0.242 nan 8.360 nan 0.000 0.491 1034 K N -0.348 120.030 120.400 -0.037 0.000 2.361 1034 K HA 0.194 4.512 4.320 -0.003 0.000 0.194 1034 K C 1.009 177.602 176.600 -0.012 0.000 1.032 1034 K CA 0.127 56.401 56.287 -0.022 0.000 1.048 1034 K CB 0.525 32.993 32.500 -0.054 0.000 0.842 1034 K HN 0.338 nan 8.250 nan 0.000 0.526 1041 I N 2.427 123.184 120.570 0.313 0.000 2.644 1041 I HA 0.141 4.309 4.170 -0.003 0.000 0.291 1041 I C -0.440 175.770 176.117 0.155 0.000 1.180 1041 I CA -1.128 60.277 61.300 0.174 0.000 1.040 1041 I CB 2.096 40.162 38.000 0.110 0.000 1.255 1041 I HN 0.422 nan 8.210 nan 0.000 0.422 1042 E N 3.349 123.609 120.200 0.099 0.000 1.944 1042 E HA 0.071 4.419 4.350 -0.003 0.000 0.272 1042 E C -0.578 176.050 176.600 0.047 0.000 1.195 1042 E CA 0.090 56.532 56.400 0.070 0.000 0.926 1042 E CB 0.049 29.773 29.700 0.039 0.000 1.051 1042 E HN 0.287 nan 8.360 nan 0.000 0.404 1043 D N 4.300 124.732 120.400 0.054 0.000 2.277 1043 D HA 0.092 4.730 4.640 -0.003 0.000 0.249 1043 D C -1.458 174.858 176.300 0.027 0.000 1.134 1043 D CA -2.054 51.964 54.000 0.031 0.000 0.863 1043 D CB 1.164 41.980 40.800 0.026 0.000 1.143 1043 D HN 0.151 nan 8.370 nan 0.000 0.458 1044 P HA -0.208 nan 4.420 nan 0.000 0.215 1044 P C 0.703 178.014 177.300 0.018 0.000 1.157 1044 P CA 1.478 64.586 63.100 0.013 0.000 0.874 1044 P CB 0.272 31.974 31.700 0.004 0.000 0.790 1045 K N -0.963 119.446 120.400 0.015 0.000 2.155 1045 K HA 0.043 4.361 4.320 -0.003 0.000 0.203 1045 K C 2.215 178.830 176.600 0.025 0.000 1.052 1045 K CA 0.959 57.255 56.287 0.016 0.000 0.948 1045 K CB -0.155 32.349 32.500 0.007 0.000 0.728 1045 K HN 0.217 nan 8.250 nan 0.000 0.448 1046 L N -1.406 119.836 121.223 0.032 0.000 2.547 1046 L HA 0.215 4.553 4.340 -0.003 0.000 0.218 1046 L C 1.118 178.039 176.870 0.085 0.000 1.048 1046 L CA 0.257 55.127 54.840 0.051 0.000 0.859 1046 L CB 0.547 42.624 42.059 0.031 0.000 1.128 1046 L HN 0.353 nan 8.230 nan 0.000 0.483 1047 G N 0.059 108.908 108.800 0.081 0.000 2.358 1047 G HA2 -0.156 3.802 3.960 -0.003 0.000 0.198 1047 G HA3 -0.156 3.802 3.960 -0.003 0.000 0.198 1047 G C -0.817 174.163 174.900 0.133 0.000 1.220 1047 G CA -0.707 44.453 45.100 0.099 0.000 1.187 1047 G HN -0.109 nan 8.290 nan 0.000 0.544 1048 K N 1.526 122.028 120.400 0.170 0.000 2.171 1048 K HA 0.476 4.794 4.320 -0.003 0.000 0.274 1048 K C 0.443 177.331 176.600 0.479 0.000 1.110 1048 K CA 0.380 56.806 56.287 0.233 0.000 0.952 1048 K CB -0.090 32.468 32.500 0.096 0.000 1.309 1048 K HN 1.192 nan 8.250 nan 0.000 0.414 1049 V N -0.147 119.986 119.914 0.366 0.000 3.113 1049 V HA 0.556 4.674 4.120 -0.003 0.000 0.316 1049 V C 0.430 176.523 176.094 -0.003 0.000 1.125 1049 V CA -0.984 61.383 62.300 0.113 0.000 1.026 1049 V CB 1.322 33.023 31.823 -0.203 0.000 1.080 1049 V HN 0.606 nan 8.190 nan 0.000 0.444 1050 T N -0.152 114.112 114.554 -0.482 0.000 2.766 1050 T HA 0.264 4.612 4.350 -0.003 0.000 0.295 1050 T C 0.861 175.401 174.700 -0.267 0.000 1.024 1050 T CA 0.114 61.905 62.100 -0.516 0.000 1.018 1050 T CB 0.742 69.206 68.868 -0.673 0.000 1.002 1050 T HN 0.755 nan 8.240 nan 0.000 0.532 1051 L N 0.369 121.472 121.223 -0.199 0.000 2.141 1051 L HA 0.098 4.436 4.340 -0.003 0.000 0.209 1051 L C 2.653 179.461 176.870 -0.104 0.000 1.094 1051 L CA 1.703 56.496 54.840 -0.079 0.000 0.763 1051 L CB -1.340 40.701 42.059 -0.029 0.000 0.908 1051 L HN 0.979 nan 8.230 nan 0.000 0.437 1052 E N -0.520 119.585 120.200 -0.158 0.000 2.072 1052 E HA -0.215 4.133 4.350 -0.003 0.000 0.191 1052 E C 2.240 178.733 176.600 -0.178 0.000 0.985 1052 E CA 1.424 57.747 56.400 -0.129 0.000 0.801 1052 E CB -0.081 29.546 29.700 -0.122 0.000 0.750 1052 E HN 0.568 nan 8.360 nan 0.000 0.452 1053 I N 0.981 121.404 120.570 -0.246 0.000 2.163 1053 I HA -0.219 3.949 4.170 -0.003 0.000 0.240 1053 I C 2.672 178.675 176.117 -0.190 0.000 1.081 1053 I CA 0.986 62.127 61.300 -0.265 0.000 1.353 1053 I CB -0.421 37.328 38.000 -0.419 0.000 1.054 1053 I HN 0.146 nan 8.210 nan 0.000 0.407 1054 A N 1.190 123.923 122.820 -0.146 0.000 1.892 1054 A HA -0.214 4.104 4.320 -0.003 0.000 0.218 1054 A C 2.332 179.898 177.584 -0.030 0.000 1.188 1054 A CA 1.799 53.803 52.037 -0.055 0.000 0.631 1054 A CB -0.974 18.032 19.000 0.010 0.000 0.822 1054 A HN 0.387 nan 8.150 nan 0.000 0.447 1055 I N -0.617 119.924 120.570 -0.049 0.000 2.179 1055 I HA -0.234 3.934 4.170 -0.003 0.000 0.242 1055 I C 2.366 178.353 176.117 -0.217 0.000 1.088 1055 I CA 1.103 62.346 61.300 -0.095 0.000 1.357 1055 I CB -0.218 37.700 38.000 -0.137 0.000 1.051 1055 I HN 0.291 nan 8.210 nan 0.000 0.409 1056 L N -0.080 120.957 121.223 -0.311 0.000 2.275 1056 L HA -0.163 4.176 4.340 -0.003 0.000 0.215 1056 L C 2.483 179.220 176.870 -0.221 0.000 1.119 1056 L CA 0.910 55.521 54.840 -0.382 0.000 0.790 1056 L CB -0.271 41.562 42.059 -0.376 0.000 0.919 1056 L HN 0.242 nan 8.230 nan 0.000 0.443 1057 S N -0.408 115.201 115.700 -0.152 0.000 2.406 1057 S HA -0.100 4.368 4.470 -0.003 0.000 0.228 1057 S C 1.893 176.460 174.600 -0.056 0.000 1.020 1057 S CA 0.970 59.112 58.200 -0.096 0.000 0.965 1057 S CB -0.047 63.108 63.200 -0.075 0.000 0.798 1057 S HN 0.448 nan 8.310 nan 0.000 0.488 1058 R N 0.709 121.185 120.500 -0.039 0.000 2.237 1058 R HA 0.153 4.491 4.340 -0.003 0.000 0.195 1058 R C 0.358 176.686 176.300 0.047 0.000 0.956 1058 R CA 0.170 56.279 56.100 0.016 0.000 1.029 1058 R CB 0.267 30.603 30.300 0.060 0.000 0.972 1058 R HN 0.360 nan 8.270 nan 0.000 0.493 1059 V N -1.022 118.903 119.914 0.019 0.000 2.472 1059 V HA 0.763 4.881 4.120 -0.003 0.000 0.290 1059 V C -0.510 175.606 176.094 0.037 0.000 1.037 1059 V CA -0.747 61.632 62.300 0.132 0.000 0.908 1059 V CB 1.250 33.159 31.823 0.144 0.000 0.985 1059 V HN 0.163 nan 8.190 nan 0.000 0.454 1060 E N 3.085 123.315 120.200 0.049 0.000 2.260 1060 E HA 0.649 4.997 4.350 -0.003 0.000 0.266 1060 E C -1.186 175.200 176.600 -0.357 0.000 0.887 1060 E CA -0.749 55.583 56.400 -0.113 0.000 0.777 1060 E CB 1.608 31.276 29.700 -0.052 0.000 1.205 1060 E HN 1.159 nan 8.360 nan 0.000 0.414 1061 H N 0.862 119.666 119.070 -0.444 0.000 3.064 1061 H HA 0.610 5.164 4.556 -0.003 0.000 0.352 1061 H C 0.830 175.987 175.328 -0.285 0.000 1.260 1061 H CA 0.264 56.000 56.048 -0.519 0.000 1.160 1061 H CB 2.151 31.480 29.762 -0.722 0.000 1.879 1061 H HN 0.668 nan 8.280 nan 0.000 0.544 1062 A N 2.981 125.379 122.820 -0.704 0.000 2.076 1062 A HA -0.195 4.123 4.320 -0.003 0.000 0.220 1062 A C 1.026 178.493 177.584 -0.195 0.000 1.160 1062 A CA 2.033 53.832 52.037 -0.396 0.000 0.653 1062 A CB -0.413 18.336 19.000 -0.419 0.000 0.801 1062 A HN 0.770 nan 8.150 nan 0.000 0.455 1063 N N -1.530 117.202 118.700 0.054 0.000 2.177 1063 N HA 0.353 5.091 4.740 -0.003 0.000 0.218 1063 N C -0.625 174.900 175.510 0.025 0.000 1.182 1063 N CA -0.124 52.961 53.050 0.059 0.000 0.882 1063 N CB 0.833 39.382 38.487 0.102 0.000 1.052 1063 N HN 0.374 nan 8.380 nan 0.000 0.519 1064 I N 0.940 121.532 120.570 0.037 0.000 2.404 1064 I HA 0.286 4.454 4.170 -0.003 0.000 0.293 1064 I C -0.197 175.893 176.117 -0.045 0.000 0.992 1064 I CA -1.165 60.150 61.300 0.025 0.000 1.149 1064 I CB 1.769 39.795 38.000 0.043 0.000 1.315 1064 I HN -0.058 nan 8.210 nan 0.000 0.446 1065 I N 6.356 126.915 120.570 -0.019 0.000 2.752 1065 I HA -0.091 4.077 4.170 -0.003 0.000 0.289 1065 I C 0.514 176.583 176.117 -0.079 0.000 1.197 1065 I CA 0.676 61.949 61.300 -0.046 0.000 1.432 1065 I CB 0.102 38.105 38.000 0.005 0.000 1.359 1065 I HN 0.516 nan 8.210 nan 0.000 0.571 1066 K N 6.671 127.029 120.400 -0.071 0.000 2.201 1066 K HA 0.399 4.717 4.320 -0.003 0.000 0.278 1066 K C -1.152 175.405 176.600 -0.072 0.000 1.027 1066 K CA -0.716 55.525 56.287 -0.077 0.000 0.909 1066 K CB 0.942 33.406 32.500 -0.061 0.000 1.062 1066 K HN 0.460 nan 8.250 nan 0.000 0.465 1067 V N 6.588 126.448 119.914 -0.090 0.000 2.614 1067 V HA 0.045 4.163 4.120 -0.003 0.000 0.291 1067 V C 1.217 177.270 176.094 -0.068 0.000 1.049 1067 V CA -0.039 62.204 62.300 -0.094 0.000 1.038 1067 V CB 1.097 32.849 31.823 -0.118 0.000 0.980 1067 V HN 0.847 nan 8.190 nan 0.000 0.481 1068 L N 1.990 123.177 121.223 -0.061 0.000 2.425 1068 L HA 0.429 4.768 4.340 -0.003 0.000 0.215 1068 L C 0.129 176.989 176.870 -0.017 0.000 1.065 1068 L CA 0.647 55.480 54.840 -0.012 0.000 0.842 1068 L CB 0.376 42.459 42.059 0.038 0.000 1.033 1068 L HN 0.611 nan 8.230 nan 0.000 0.474 1069 D N -0.446 119.893 120.400 -0.101 0.000 2.769 1069 D HA 0.399 5.037 4.640 -0.003 0.000 0.219 1069 D C -1.580 174.458 176.300 -0.437 0.000 1.245 1069 D CA -0.233 53.612 54.000 -0.257 0.000 0.801 1069 D CB 3.223 43.952 40.800 -0.117 0.000 1.598 1069 D HN -0.124 nan 8.370 nan 0.000 0.485 1070 I N 1.195 121.420 120.570 -0.575 0.000 2.498 1070 I HA 0.632 4.800 4.170 -0.003 0.000 0.290 1070 I C -1.609 174.183 176.117 -0.541 0.000 1.032 1070 I CA -0.497 60.539 61.300 -0.440 0.000 1.073 1070 I CB 1.188 39.077 38.000 -0.186 0.000 1.251 1070 I HN 0.155 nan 8.210 nan 0.000 0.426 1071 F N 5.111 125.169 119.950 0.181 0.000 2.618 1071 F HA 0.678 5.203 4.527 -0.003 0.000 0.332 1071 F C -0.018 175.919 175.800 0.230 0.000 1.061 1071 F CA -0.678 57.442 58.000 0.200 0.000 0.974 1071 F CB 1.287 40.419 39.000 0.221 0.000 1.310 1071 F HN 0.396 nan 8.300 nan 0.000 0.491 1072 E N 1.075 121.493 120.200 0.363 0.000 2.331 1072 E HA 0.359 4.707 4.350 -0.003 0.000 0.275 1072 E C -1.760 174.893 176.600 0.087 0.000 0.895 1072 E CA -0.509 55.969 56.400 0.130 0.000 0.753 1072 E CB 2.459 32.197 29.700 0.063 0.000 1.216 1072 E HN 0.823 nan 8.360 nan 0.000 0.434 1073 N N 1.060 119.768 118.700 0.013 0.000 3.439 1073 N HA 0.221 4.960 4.740 -0.003 0.000 0.343 1073 N C 1.012 176.516 175.510 -0.010 0.000 1.597 1073 N CA 0.370 53.439 53.050 0.031 0.000 0.733 1073 N CB -0.604 37.928 38.487 0.075 0.000 1.973 1073 N HN 0.391 nan 8.380 nan 0.000 0.646 1074 Q N -0.654 119.160 119.800 0.022 0.000 2.014 1074 Q HA 0.034 4.372 4.340 -0.003 0.000 0.207 1074 Q C 1.787 177.783 176.000 -0.006 0.000 0.993 1074 Q CA 2.647 58.455 55.803 0.008 0.000 0.850 1074 Q CB -1.694 27.060 28.738 0.027 0.000 0.916 1074 Q HN 0.875 nan 8.270 nan 0.000 0.417 1075 G N -2.879 105.960 108.800 0.065 0.000 2.944 1075 G HA2 0.465 4.424 3.960 -0.003 0.000 0.220 1075 G HA3 0.465 4.424 3.960 -0.003 0.000 0.220 1075 G C 0.089 174.890 174.900 -0.165 0.000 1.100 1075 G CA -0.069 45.027 45.100 -0.007 0.000 0.780 1075 G HN 0.346 nan 8.290 nan 0.000 0.539 1076 F N -0.909 118.978 119.950 -0.104 0.000 2.603 1076 F HA 0.676 5.202 4.527 -0.002 0.000 0.317 1076 F C -0.629 175.062 175.800 -0.181 0.000 1.066 1076 F CA -1.256 56.699 58.000 -0.076 0.000 0.941 1076 F CB 2.108 41.120 39.000 0.020 0.000 1.291 1076 F HN -0.166 nan 8.300 nan 0.000 0.472 1077 F N 0.439 120.524 119.950 0.225 0.000 2.470 1077 F HA 0.546 5.071 4.527 -0.004 0.000 0.329 1077 F C -0.564 175.317 175.800 0.134 0.000 1.072 1077 F CA -0.721 57.368 58.000 0.149 0.000 0.989 1077 F CB 1.717 40.744 39.000 0.044 0.000 1.193 1077 F HN 0.256 nan 8.300 nan 0.000 0.481 1078 Q N 2.807 122.776 119.800 0.281 0.000 2.347 1078 Q HA 0.389 4.727 4.340 -0.003 0.000 0.265 1078 Q C -1.042 174.935 176.000 -0.038 0.000 1.024 1078 Q CA -0.137 55.658 55.803 -0.014 0.000 0.731 1078 Q CB 1.985 30.641 28.738 -0.137 0.000 1.245 1078 Q HN 0.518 nan 8.270 nan 0.000 0.472 1079 L N 3.514 124.659 121.223 -0.130 0.000 2.260 1079 L HA 0.497 4.835 4.340 -0.003 0.000 0.289 1079 L C -0.996 175.764 176.870 -0.184 0.000 1.057 1079 L CA -0.782 53.971 54.840 -0.144 0.000 0.811 1079 L CB 0.698 42.679 42.059 -0.129 0.000 1.184 1079 L HN 0.391 nan 8.230 nan 0.000 0.429 1080 V N 6.384 126.188 119.914 -0.183 0.000 2.370 1080 V HA 0.436 4.554 4.120 -0.003 0.000 0.283 1080 V C 0.261 176.267 176.094 -0.145 0.000 1.023 1080 V CA -0.326 61.852 62.300 -0.203 0.000 0.857 1080 V CB 1.569 33.210 31.823 -0.304 0.000 0.985 1080 V HN 0.805 nan 8.190 nan 0.000 0.443 1081 M N 3.018 122.552 119.600 -0.109 0.000 2.761 1081 M HA 0.504 4.982 4.480 -0.003 0.000 0.305 1081 M C -0.010 176.268 176.300 -0.037 0.000 1.235 1081 M CA -0.799 54.461 55.300 -0.067 0.000 0.850 1081 M CB 2.001 34.572 32.600 -0.047 0.000 1.744 1081 M HN 0.781 nan 8.290 nan 0.000 0.480 1082 E N 0.851 121.041 120.200 -0.017 0.000 2.413 1082 E HA 0.058 4.407 4.350 -0.003 0.000 0.263 1082 E C -0.793 175.821 176.600 0.023 0.000 1.015 1082 E CA -0.283 56.122 56.400 0.008 0.000 0.916 1082 E CB 0.636 30.343 29.700 0.012 0.000 0.947 1082 E HN 0.384 nan 8.360 nan 0.000 0.440 1083 K N 2.813 123.229 120.400 0.026 0.000 2.231 1083 K HA 0.037 4.355 4.320 -0.003 0.000 0.275 1083 K C -1.070 175.546 176.600 0.026 0.000 1.105 1083 K CA -0.505 55.797 56.287 0.026 0.000 0.931 1083 K CB 0.119 32.627 32.500 0.013 0.000 1.296 1083 K HN 0.576 nan 8.250 nan 0.000 0.446 1084 H N 3.485 122.525 119.070 -0.050 0.000 2.742 1084 H HA 0.265 4.820 4.556 -0.003 0.000 0.302 1084 H C 0.837 176.102 175.328 -0.104 0.000 1.069 1084 H CA 1.563 57.565 56.048 -0.076 0.000 1.446 1084 H CB 0.705 30.426 29.762 -0.068 0.000 1.462 1084 H HN 0.928 nan 8.280 nan 0.000 0.499 1085 G N 3.382 111.828 108.800 -0.590 0.000 2.556 1085 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.283 1085 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.283 1085 G C 0.636 175.373 174.900 -0.272 0.000 1.177 1085 G CA 0.692 45.489 45.100 -0.505 0.000 0.978 1085 G HN 1.341 nan 8.290 nan 0.000 0.554 1086 S N -0.514 115.055 115.700 -0.219 0.000 2.855 1086 S HA 0.539 5.007 4.470 -0.003 0.000 0.249 1086 S C 1.567 176.131 174.600 -0.060 0.000 1.033 1086 S CA 1.042 59.169 58.200 -0.122 0.000 1.038 1086 S CB 0.611 63.738 63.200 -0.121 0.000 0.960 1086 S HN 2.875 nan 8.310 nan 0.000 0.548 1087 G N 1.084 109.855 108.800 -0.048 0.000 2.137 1087 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.237 1087 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.237 1087 G C -0.295 174.616 174.900 0.020 0.000 1.002 1087 G CA 0.122 45.220 45.100 -0.003 0.000 0.702 1087 G HN 0.736 nan 8.290 nan 0.000 0.515 1088 L N 2.166 123.393 121.223 0.006 0.000 2.261 1088 L HA 0.622 4.961 4.340 -0.003 0.000 0.289 1088 L C 0.469 177.399 176.870 0.099 0.000 1.059 1088 L CA -0.640 54.240 54.840 0.068 0.000 0.816 1088 L CB 0.564 42.648 42.059 0.041 0.000 1.191 1088 L HN 0.384 nan 8.230 nan 0.000 0.431 1089 D N 2.729 123.221 120.400 0.153 0.000 2.432 1089 D HA 0.150 4.789 4.640 -0.003 0.000 0.258 1089 D C 0.891 177.348 176.300 0.261 0.000 1.146 1089 D CA -0.594 53.508 54.000 0.169 0.000 1.015 1089 D CB 0.727 41.615 40.800 0.147 0.000 1.107 1089 D HN 0.343 nan 8.370 nan 0.000 0.529 1090 L N -0.378 120.990 121.223 0.243 0.000 2.291 1090 L HA 0.084 4.422 4.340 -0.003 0.000 0.214 1090 L C 1.650 178.741 176.870 0.368 0.000 1.120 1090 L CA 1.087 56.114 54.840 0.311 0.000 0.799 1090 L CB -0.801 41.390 42.059 0.220 0.000 0.925 1090 L HN 0.590 nan 8.230 nan 0.000 0.446 1091 F N -0.140 119.924 119.950 0.191 0.000 2.113 1091 F HA -0.156 4.369 4.527 -0.003 0.000 0.297 1091 F C 2.301 178.195 175.800 0.156 0.000 1.103 1091 F CA 1.445 59.540 58.000 0.159 0.000 1.248 1091 F CB -0.280 38.790 39.000 0.117 0.000 0.999 1091 F HN 0.052 nan 8.300 nan 0.000 0.475 1092 A N -0.321 122.752 122.820 0.422 0.000 1.968 1092 A HA -0.132 4.186 4.320 -0.003 0.000 0.217 1092 A C 2.074 179.851 177.584 0.321 0.000 1.169 1092 A CA 1.191 53.419 52.037 0.319 0.000 0.638 1092 A CB -1.496 17.704 19.000 0.333 0.000 0.812 1092 A HN 0.537 nan 8.150 nan 0.000 0.446 1093 F N 0.741 120.854 119.950 0.273 0.000 2.069 1093 F HA -0.182 4.343 4.527 -0.003 0.000 0.298 1093 F C 1.917 177.820 175.800 0.172 0.000 1.113 1093 F CA 1.914 60.146 58.000 0.386 0.000 1.214 1093 F CB -0.339 38.858 39.000 0.328 0.000 0.978 1093 F HN 0.169 nan 8.300 nan 0.000 0.474 1094 I N 0.304 120.900 120.570 0.044 0.000 2.264 1094 I HA -0.317 3.851 4.170 -0.003 0.000 0.248 1094 I C 2.370 178.270 176.117 -0.361 0.000 1.111 1094 I CA 1.759 62.956 61.300 -0.172 0.000 1.382 1094 I CB -0.645 37.319 38.000 -0.061 0.000 1.060 1094 I HN 0.260 nan 8.210 nan 0.000 0.418 1095 D N 0.912 121.087 120.400 -0.375 0.000 2.190 1095 D HA -0.214 4.425 4.640 -0.003 0.000 0.200 1095 D C 2.027 177.949 176.300 -0.630 0.000 0.992 1095 D CA 1.052 54.762 54.000 -0.483 0.000 0.854 1095 D CB 0.059 40.682 40.800 -0.295 0.000 0.936 1095 D HN 0.218 nan 8.370 nan 0.000 0.462 1096 R N 0.021 120.201 120.500 -0.532 0.000 2.316 1096 R HA -0.056 4.282 4.340 -0.003 0.000 0.202 1096 R C 0.002 175.986 176.300 -0.528 0.000 1.029 1096 R CA 0.188 55.925 56.100 -0.605 0.000 1.018 1096 R CB -0.486 29.258 30.300 -0.927 0.000 0.888 1096 R HN 0.419 nan 8.270 nan 0.000 0.471 1097 H N -1.144 117.723 119.070 -0.339 0.000 2.702 1097 H HA -0.084 4.470 4.556 -0.003 0.000 0.328 1097 H C -2.202 172.920 175.328 -0.344 0.000 1.111 1097 H CA 0.013 55.885 56.048 -0.294 0.000 1.109 1097 H CB -1.710 27.918 29.762 -0.223 0.000 1.606 1097 H HN 0.207 nan 8.280 nan 0.000 0.399 1098 P HA 0.055 nan 4.420 nan 0.000 0.271 1098 P C 0.484 177.659 177.300 -0.207 0.000 1.233 1098 P CA -0.220 62.652 63.100 -0.380 0.000 0.789 1098 P CB 0.656 31.986 31.700 -0.616 0.000 0.951 1099 R N 0.912 121.326 120.500 -0.143 0.000 3.701 1099 R HA 0.318 4.656 4.340 -0.003 0.000 0.210 1099 R C 0.120 176.389 176.300 -0.051 0.000 1.598 1099 R CA -0.364 55.688 56.100 -0.081 0.000 1.427 1099 R CB -1.527 28.749 30.300 -0.040 0.000 1.339 1099 R HN 0.448 nan 8.270 nan 0.000 0.720 1100 L N 2.925 124.106 121.223 -0.071 0.000 2.296 1100 L HA 0.467 4.805 4.340 -0.003 0.000 0.286 1100 L C -0.490 176.355 176.870 -0.042 0.000 1.023 1100 L CA -0.595 54.212 54.840 -0.055 0.000 0.812 1100 L CB 1.542 43.603 42.059 0.004 0.000 1.223 1100 L HN 0.556 nan 8.230 nan 0.000 0.421 1101 D N 2.042 122.408 120.400 -0.058 0.000 2.442 1101 D HA 0.173 4.812 4.640 -0.003 0.000 0.254 1101 D C 0.576 176.886 176.300 0.016 0.000 1.069 1101 D CA -0.621 53.386 54.000 0.010 0.000 1.017 1101 D CB 0.791 41.627 40.800 0.061 0.000 1.172 1101 D HN 0.440 nan 8.370 nan 0.000 0.561 1102 E N -0.481 119.778 120.200 0.098 0.000 2.058 1102 E HA -0.137 4.211 4.350 -0.003 0.000 0.194 1102 E C -0.916 175.605 176.600 -0.133 0.000 0.997 1102 E CA 1.402 57.911 56.400 0.182 0.000 0.801 1102 E CB -1.060 28.869 29.700 0.381 0.000 0.746 1102 E HN 0.446 nan 8.360 nan 0.000 0.450 1103 P HA -0.156 nan 4.420 nan 0.000 0.216 1103 P C 1.500 178.660 177.300 -0.233 0.000 1.153 1103 P CA 0.846 63.825 63.100 -0.202 0.000 0.848 1103 P CB 0.050 31.733 31.700 -0.028 0.000 0.787 1104 L N -0.378 120.647 121.223 -0.330 0.000 2.072 1104 L HA 0.068 4.406 4.340 -0.003 0.000 0.205 1104 L C 2.243 178.992 176.870 -0.201 0.000 1.079 1104 L CA 1.710 56.266 54.840 -0.474 0.000 0.752 1104 L CB -1.603 39.813 42.059 -1.070 0.000 0.906 1104 L HN -0.139 nan 8.230 nan 0.000 0.436 1105 A N -1.479 121.269 122.820 -0.120 0.000 1.940 1105 A HA -0.249 4.069 4.320 -0.003 0.000 0.219 1105 A C 2.541 180.141 177.584 0.028 0.000 1.176 1105 A CA 1.951 54.012 52.037 0.041 0.000 0.631 1105 A CB -1.066 18.024 19.000 0.149 0.000 0.814 1105 A HN 0.535 nan 8.150 nan 0.000 0.446 1106 S N -2.157 113.360 115.700 -0.304 0.000 2.402 1106 S HA -0.165 4.303 4.470 -0.003 0.000 0.229 1106 S C 1.848 176.376 174.600 -0.120 0.000 1.021 1106 S CA 1.409 59.286 58.200 -0.538 0.000 0.974 1106 S CB -0.515 62.024 63.200 -1.102 0.000 0.800 1106 S HN 0.661 nan 8.310 nan 0.000 0.484 1107 Y N 2.023 122.213 120.300 -0.183 0.000 2.163 1107 Y HA 0.027 4.575 4.550 -0.003 0.000 0.288 1107 Y C 1.860 177.747 175.900 -0.021 0.000 1.136 1107 Y CA 1.640 59.680 58.100 -0.099 0.000 1.147 1107 Y CB -0.505 37.884 38.460 -0.119 0.000 0.987 1107 Y HN 0.276 nan 8.280 nan 0.000 0.509 1108 I N -0.974 119.580 120.570 -0.026 0.000 2.208 1108 I HA -0.331 3.837 4.170 -0.003 0.000 0.245 1108 I C 2.154 178.280 176.117 0.015 0.000 1.097 1108 I CA 1.684 62.961 61.300 -0.038 0.000 1.363 1108 I CB -0.549 37.495 38.000 0.074 0.000 1.051 1108 I HN 0.230 nan 8.210 nan 0.000 0.413 1109 F N 2.352 122.273 119.950 -0.047 0.000 2.206 1109 F HA -0.133 4.392 4.527 -0.003 0.000 0.298 1109 F C 2.754 178.540 175.800 -0.023 0.000 1.090 1109 F CA 1.317 59.326 58.000 0.016 0.000 1.323 1109 F CB -0.301 38.798 39.000 0.165 0.000 1.028 1109 F HN -0.028 nan 8.300 nan 0.000 0.492 1110 R N 0.120 120.558 120.500 -0.103 0.000 2.148 1110 R HA -0.138 4.200 4.340 -0.003 0.000 0.227 1110 R C 1.752 177.921 176.300 -0.219 0.000 1.103 1110 R CA 1.558 57.550 56.100 -0.181 0.000 0.983 1110 R CB -0.999 29.250 30.300 -0.086 0.000 0.874 1110 R HN 0.374 nan 8.270 nan 0.000 0.451 1111 Q N 0.748 120.398 119.800 -0.251 0.000 2.119 1111 Q HA -0.106 4.233 4.340 -0.003 0.000 0.201 1111 Q C 2.127 178.016 176.000 -0.185 0.000 0.972 1111 Q CA 1.222 56.897 55.803 -0.214 0.000 0.847 1111 Q CB -0.108 28.462 28.738 -0.280 0.000 0.903 1111 Q HN 0.275 nan 8.270 nan 0.000 0.433 1112 L N 0.148 121.228 121.223 -0.238 0.000 2.056 1112 L HA -0.110 4.228 4.340 -0.003 0.000 0.207 1112 L C 2.057 178.739 176.870 -0.315 0.000 1.078 1112 L CA 1.378 56.063 54.840 -0.257 0.000 0.749 1112 L CB -0.404 41.517 42.059 -0.230 0.000 0.901 1112 L HN -0.051 nan 8.230 nan 0.000 0.433 1113 V N -0.668 118.982 119.914 -0.440 0.000 2.490 1113 V HA -0.229 3.889 4.120 -0.003 0.000 0.250 1113 V C 2.524 178.501 176.094 -0.195 0.000 1.061 1113 V CA 1.737 63.827 62.300 -0.349 0.000 1.064 1113 V CB -0.741 30.843 31.823 -0.398 0.000 0.670 1113 V HN 0.511 nan 8.190 nan 0.000 0.461 1114 S N 0.350 115.954 115.700 -0.160 0.000 2.371 1114 S HA -0.073 4.396 4.470 -0.003 0.000 0.224 1114 S C 2.258 176.702 174.600 -0.260 0.000 1.029 1114 S CA 1.223 59.375 58.200 -0.081 0.000 0.978 1114 S CB -0.398 62.839 63.200 0.061 0.000 0.833 1114 S HN 0.642 nan 8.310 nan 0.000 0.466 1115 A N 1.364 123.977 122.820 -0.344 0.000 1.902 1115 A HA -0.044 4.275 4.320 -0.003 0.000 0.217 1115 A C 2.329 179.784 177.584 -0.216 0.000 1.181 1115 A CA 1.556 53.307 52.037 -0.476 0.000 0.623 1115 A CB -0.903 17.949 19.000 -0.247 0.000 0.818 1115 A HN 0.342 nan 8.150 nan 0.000 0.443 1116 V N 0.005 119.823 119.914 -0.160 0.000 2.358 1116 V HA -0.145 3.974 4.120 -0.003 0.000 0.246 1116 V C 2.849 178.908 176.094 -0.059 0.000 1.047 1116 V CA 1.759 64.002 62.300 -0.094 0.000 1.035 1116 V CB -1.674 30.085 31.823 -0.106 0.000 0.658 1116 V HN 0.596 nan 8.190 nan 0.000 0.452 1117 G N -0.947 107.813 108.800 -0.067 0.000 2.529 1117 G HA2 -0.389 3.569 3.960 -0.003 0.000 0.219 1117 G HA3 -0.389 3.569 3.960 -0.003 0.000 0.219 1117 G C 1.566 176.465 174.900 -0.001 0.000 1.177 1117 G CA 1.552 46.637 45.100 -0.025 0.000 0.773 1117 G HN 0.573 nan 8.290 nan 0.000 0.573 1118 Y N 1.069 121.281 120.300 -0.147 0.000 2.114 1118 Y HA -0.056 4.492 4.550 -0.003 0.000 0.284 1118 Y C 2.674 178.535 175.900 -0.065 0.000 1.143 1118 Y CA 1.660 59.692 58.100 -0.113 0.000 1.135 1118 Y CB -0.313 37.999 38.460 -0.246 0.000 0.980 1118 Y HN 0.127 nan 8.280 nan 0.000 0.499 1119 L N -0.221 121.007 121.223 0.009 0.000 2.046 1119 L HA -0.228 4.110 4.340 -0.003 0.000 0.208 1119 L C 2.642 179.467 176.870 -0.075 0.000 1.077 1119 L CA 1.657 56.483 54.840 -0.024 0.000 0.747 1119 L CB -0.534 41.575 42.059 0.084 0.000 0.896 1119 L HN 0.114 nan 8.230 nan 0.000 0.432 1120 R N 0.507 120.978 120.500 -0.048 0.000 2.091 1120 R HA -0.203 4.135 4.340 -0.003 0.000 0.238 1120 R C 2.137 178.409 176.300 -0.047 0.000 1.136 1120 R CA 1.540 57.623 56.100 -0.028 0.000 0.959 1120 R CB -0.820 29.475 30.300 -0.009 0.000 0.856 1120 R HN 0.199 nan 8.270 nan 0.000 0.437 1121 L N 0.979 122.149 121.223 -0.090 0.000 2.043 1121 L HA -0.161 4.177 4.340 -0.003 0.000 0.212 1121 L C 0.936 177.729 176.870 -0.128 0.000 1.075 1121 L CA 1.961 56.736 54.840 -0.108 0.000 0.752 1121 L CB -0.275 41.698 42.059 -0.144 0.000 0.891 1121 L HN 0.089 nan 8.230 nan 0.000 0.432 1122 K N 0.012 120.294 120.400 -0.197 0.000 2.504 1122 K HA 0.054 4.372 4.320 -0.003 0.000 0.199 1122 K C -0.173 176.430 176.600 0.004 0.000 1.028 1122 K CA 0.421 56.628 56.287 -0.133 0.000 1.164 1122 K CB -0.302 32.054 32.500 -0.240 0.000 0.877 1122 K HN 0.366 nan 8.250 nan 0.000 0.508 1123 D N 0.843 121.252 120.400 0.015 0.000 2.911 1123 D HA -0.206 4.433 4.640 -0.003 0.000 0.227 1123 D C -0.168 176.173 176.300 0.068 0.000 1.164 1123 D CA 0.913 54.964 54.000 0.084 0.000 0.782 1123 D CB -1.437 39.456 40.800 0.154 0.000 1.094 1123 D HN 0.364 nan 8.370 nan 0.000 0.425 1124 I N 0.412 120.961 120.570 -0.036 0.000 2.460 1124 I HA 0.424 4.592 4.170 -0.003 0.000 0.298 1124 I C 0.348 176.437 176.117 -0.047 0.000 0.989 1124 I CA -0.914 60.304 61.300 -0.136 0.000 1.173 1124 I CB 1.773 39.654 38.000 -0.199 0.000 1.338 1124 I HN -0.180 nan 8.210 nan 0.000 0.456 1125 I N 5.216 125.748 120.570 -0.064 0.000 2.410 1125 I HA 0.185 4.353 4.170 -0.003 0.000 0.286 1125 I C 1.096 177.167 176.117 -0.077 0.000 1.009 1125 I CA -0.070 61.204 61.300 -0.043 0.000 1.111 1125 I CB 1.023 39.000 38.000 -0.039 0.000 1.262 1125 I HN 0.575 nan 8.210 nan 0.000 0.443 1126 H N 6.843 125.811 119.070 -0.170 0.000 2.353 1126 H HA -0.056 4.498 4.556 -0.003 0.000 0.300 1126 H C 1.210 176.380 175.328 -0.264 0.000 1.090 1126 H CA 2.273 58.147 56.048 -0.291 0.000 1.327 1126 H CB 0.432 29.941 29.762 -0.421 0.000 1.383 1126 H HN 0.704 nan 8.280 nan 0.000 0.508 1127 R N -1.052 119.414 120.500 -0.057 0.000 3.749 1127 R HA -0.171 4.167 4.340 -0.003 0.000 0.476 1127 R C -0.381 175.870 176.300 -0.083 0.000 0.814 1127 R CA 1.379 57.412 56.100 -0.113 0.000 1.494 1127 R CB -1.285 28.889 30.300 -0.210 0.000 2.164 1127 R HN 0.287 nan 8.270 nan 0.000 0.473 1128 D N 0.335 120.770 120.400 0.058 0.000 2.938 1128 D HA 0.299 4.937 4.640 -0.003 0.000 0.369 1128 D C -0.649 175.629 176.300 -0.037 0.000 1.301 1128 D CA -0.211 53.782 54.000 -0.012 0.000 0.805 1128 D CB 0.269 41.010 40.800 -0.098 0.000 1.161 1128 D HN 0.158 nan 8.370 nan 0.000 0.474 1129 I N 2.249 122.739 120.570 -0.133 0.000 2.379 1129 I HA 0.188 4.356 4.170 -0.003 0.000 0.290 1129 I C 0.389 176.312 176.117 -0.322 0.000 1.063 1129 I CA 0.259 61.384 61.300 -0.291 0.000 1.351 1129 I CB 0.262 38.133 38.000 -0.216 0.000 1.410 1129 I HN 0.042 nan 8.210 nan 0.000 0.505 1130 K N 2.925 123.132 120.400 -0.322 0.000 2.658 1130 K HA 0.248 4.566 4.320 -0.003 0.000 0.293 1130 K C -0.260 176.290 176.600 -0.083 0.000 1.026 1130 K CA -0.840 55.225 56.287 -0.369 0.000 0.871 1130 K CB 0.734 32.678 32.500 -0.927 0.000 1.524 1130 K HN 0.319 nan 8.250 nan 0.000 0.400 1131 D N 0.797 121.257 120.400 0.100 0.000 2.149 1131 D HA -0.259 4.379 4.640 -0.003 0.000 0.194 1131 D C 1.061 177.458 176.300 0.162 0.000 1.001 1131 D CA 1.790 55.906 54.000 0.192 0.000 0.849 1131 D CB -0.221 40.777 40.800 0.329 0.000 0.939 1131 D HN 0.697 nan 8.370 nan 0.000 0.449 1132 E N -0.405 119.864 120.200 0.115 0.000 2.204 1132 E HA -0.066 4.282 4.350 -0.003 0.000 0.195 1132 E C 0.759 177.363 176.600 0.007 0.000 0.990 1132 E CA 0.713 57.139 56.400 0.044 0.000 0.821 1132 E CB -0.048 29.613 29.700 -0.066 0.000 0.750 1132 E HN 0.258 nan 8.360 nan 0.000 0.477 1133 N N 0.172 118.851 118.700 -0.034 0.000 2.295 1133 N HA 0.172 4.910 4.740 -0.003 0.000 0.221 1133 N C -0.694 174.776 175.510 -0.066 0.000 1.129 1133 N CA 0.345 53.366 53.050 -0.048 0.000 0.836 1133 N CB 0.607 39.050 38.487 -0.072 0.000 1.040 1133 N HN 0.084 nan 8.380 nan 0.000 0.494 1134 I N 0.268 120.826 120.570 -0.020 0.000 2.499 1134 I HA 0.295 4.463 4.170 -0.003 0.000 0.288 1134 I C -0.624 175.514 176.117 0.034 0.000 1.048 1134 I CA -0.897 60.393 61.300 -0.018 0.000 1.062 1134 I CB 2.549 40.539 38.000 -0.017 0.000 1.238 1134 I HN -0.359 nan 8.210 nan 0.000 0.426 1135 V N 6.733 126.667 119.914 0.034 0.000 2.483 1135 V HA 0.498 4.616 4.120 -0.003 0.000 0.295 1135 V C -0.234 175.946 176.094 0.143 0.000 1.035 1135 V CA -0.636 61.723 62.300 0.098 0.000 0.896 1135 V CB 2.279 34.187 31.823 0.142 0.000 0.986 1135 V HN 0.532 nan 8.190 nan 0.000 0.447 1136 I N 3.131 123.746 120.570 0.076 0.000 2.509 1136 I HA 0.798 4.966 4.170 -0.003 0.000 0.293 1136 I C 0.258 176.217 176.117 -0.264 0.000 1.020 1136 I CA -0.447 60.843 61.300 -0.017 0.000 1.088 1136 I CB 1.780 39.673 38.000 -0.178 0.000 1.267 1136 I HN 0.766 nan 8.210 nan 0.000 0.430 1137 A N 4.220 126.811 122.820 -0.381 0.000 2.247 1137 A HA 0.607 4.925 4.320 -0.003 0.000 0.313 1137 A C 0.961 177.933 177.584 -1.021 0.000 1.109 1137 A CA 0.415 52.007 52.037 -0.743 0.000 0.890 1137 A CB 0.498 19.041 19.000 -0.762 0.000 1.239 1137 A HN 0.873 nan 8.150 nan 0.000 0.506 1138 E N 0.054 119.522 120.200 -1.220 0.000 2.150 1138 E HA -0.183 4.165 4.350 -0.003 0.000 0.193 1138 E C 0.941 176.968 176.600 -0.956 0.000 0.985 1138 E CA 1.634 57.079 56.400 -1.592 0.000 0.814 1138 E CB -0.758 28.230 29.700 -1.187 0.000 0.752 1138 E HN 0.775 nan 8.360 nan 0.000 0.466 1139 D N -1.680 118.380 120.400 -0.567 0.000 2.324 1139 D HA 0.084 4.723 4.640 -0.003 0.000 0.235 1139 D C 0.018 176.327 176.300 0.015 0.000 1.095 1139 D CA -0.201 53.654 54.000 -0.241 0.000 0.871 1139 D CB -0.787 39.965 40.800 -0.079 0.000 0.906 1139 D HN 0.409 nan 8.370 nan 0.000 0.522 1140 F N -1.138 118.847 119.950 0.058 0.000 2.840 1140 F HA -0.238 4.287 4.527 -0.003 0.000 0.310 1140 F C 0.365 176.258 175.800 0.155 0.000 0.688 1140 F CA 0.746 58.831 58.000 0.141 0.000 1.286 1140 F CB -2.735 36.416 39.000 0.251 0.000 1.612 1140 F HN -0.107 nan 8.300 nan 0.000 0.335 1141 T N 2.413 117.100 114.554 0.222 0.000 2.897 1141 T HA 0.615 4.963 4.350 -0.003 0.000 0.294 1141 T C 0.271 175.068 174.700 0.162 0.000 1.004 1141 T CA 0.029 62.222 62.100 0.155 0.000 1.106 1141 T CB 1.314 70.284 68.868 0.169 0.000 0.949 1141 T HN 0.313 nan 8.240 nan 0.000 0.520 1142 I N -0.213 120.338 120.570 -0.031 0.000 2.569 1142 I HA 0.858 5.026 4.170 -0.003 0.000 0.296 1142 I C -0.786 175.159 176.117 -0.287 0.000 1.028 1142 I CA -1.110 60.133 61.300 -0.096 0.000 1.082 1142 I CB 1.815 39.771 38.000 -0.075 0.000 1.264 1142 I HN 0.129 nan 8.210 nan 0.000 0.429 1143 K N 4.571 124.765 120.400 -0.343 0.000 2.376 1143 K HA 0.575 4.893 4.320 -0.003 0.000 0.257 1143 K C -1.315 175.216 176.600 -0.115 0.000 0.939 1143 K CA -0.627 55.481 56.287 -0.297 0.000 0.809 1143 K CB 1.696 33.931 32.500 -0.441 0.000 1.121 1143 K HN 0.697 nan 8.250 nan 0.000 0.425 1144 L N 6.116 127.304 121.223 -0.059 0.000 2.385 1144 L HA 0.407 4.745 4.340 -0.003 0.000 0.281 1144 L C -0.607 176.351 176.870 0.147 0.000 1.106 1144 L CA 0.085 54.902 54.840 -0.039 0.000 0.856 1144 L CB -0.471 41.540 42.059 -0.081 0.000 1.186 1144 L HN 0.650 nan 8.230 nan 0.000 0.453 1145 I N 0.786 121.413 120.570 0.095 0.000 3.133 1145 I HA 0.658 4.826 4.170 -0.003 0.000 0.311 1145 I C -0.334 175.914 176.117 0.218 0.000 1.072 1145 I CA -0.991 60.435 61.300 0.209 0.000 1.015 1145 I CB 1.372 39.436 38.000 0.108 0.000 1.233 1145 I HN 0.534 nan 8.210 nan 0.000 0.473 1146 D N 1.392 121.937 120.400 0.241 0.000 3.729 1146 D HA -0.222 4.416 4.640 -0.003 0.000 0.242 1146 D C -0.825 175.442 176.300 -0.056 0.000 1.091 1146 D CA 0.640 54.710 54.000 0.118 0.000 1.096 1146 D CB -0.771 40.053 40.800 0.040 0.000 0.901 1146 D HN 0.548 nan 8.370 nan 0.000 0.416 1147 F N 0.650 120.486 119.950 -0.191 0.000 2.713 1147 F HA 0.386 4.911 4.527 -0.003 0.000 0.294 1147 F C 2.232 177.843 175.800 -0.315 0.000 1.152 1147 F CA 0.175 57.948 58.000 -0.378 0.000 1.385 1147 F CB 0.438 39.292 39.000 -0.244 0.000 0.981 1147 F HN 0.372 nan 8.300 nan 0.000 0.514 1148 G N -0.794 107.926 108.800 -0.133 0.000 2.470 1148 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.220 1148 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.220 1148 G C 1.726 176.523 174.900 -0.172 0.000 1.121 1148 G CA 0.947 45.967 45.100 -0.134 0.000 0.766 1148 G HN 0.344 nan 8.290 nan 0.000 0.553 1149 S N -0.186 115.365 115.700 -0.248 0.000 2.524 1149 S HA 0.555 5.024 4.470 -0.003 0.000 0.215 1149 S C 1.366 175.819 174.600 -0.245 0.000 0.986 1149 S CA 0.045 58.101 58.200 -0.240 0.000 0.911 1149 S CB 0.221 63.260 63.200 -0.270 0.000 0.805 1149 S HN 0.632 nan 8.310 nan 0.000 0.501 1150 A N 1.539 124.196 122.820 -0.272 0.000 2.448 1150 A HA 0.693 5.011 4.320 -0.003 0.000 0.239 1150 A C 0.281 177.783 177.584 -0.137 0.000 1.080 1150 A CA 0.313 52.217 52.037 -0.222 0.000 0.779 1150 A CB 0.090 19.022 19.000 -0.114 0.000 1.026 1150 A HN 0.587 nan 8.150 nan 0.000 0.499 1151 A N -0.040 122.695 122.820 -0.141 0.000 2.608 1151 A HA 0.602 4.920 4.320 -0.003 0.000 0.292 1151 A C -1.475 176.081 177.584 -0.047 0.000 1.066 1151 A CA -0.573 51.449 52.037 -0.024 0.000 0.676 1151 A CB 0.488 19.514 19.000 0.043 0.000 1.277 1151 A HN 0.748 nan 8.150 nan 0.000 0.413 1152 Y N 0.832 121.229 120.300 0.162 0.000 2.313 1152 Y HA 0.449 4.997 4.550 -0.003 0.000 0.332 1152 Y C 0.412 176.455 175.900 0.239 0.000 1.071 1152 Y CA -0.310 57.881 58.100 0.151 0.000 1.169 1152 Y CB 1.018 39.534 38.460 0.093 0.000 1.192 1152 Y HN 0.492 nan 8.280 nan 0.000 0.487 1153 L N 3.736 125.159 121.223 0.333 0.000 2.455 1153 L HA 0.108 4.446 4.340 -0.003 0.000 0.272 1153 L C 0.198 177.179 176.870 0.185 0.000 1.174 1153 L CA 0.016 55.021 54.840 0.275 0.000 0.869 1153 L CB 0.022 42.197 42.059 0.194 0.000 1.130 1153 L HN 0.685 nan 8.230 nan 0.000 0.474 1154 E N 1.829 122.085 120.200 0.093 0.000 2.312 1154 E HA 0.485 4.833 4.350 -0.003 0.000 0.267 1154 E C -0.782 175.818 176.600 -0.001 0.000 0.894 1154 E CA -1.148 55.268 56.400 0.026 0.000 0.773 1154 E CB 1.494 31.178 29.700 -0.026 0.000 1.241 1154 E HN 0.336 nan 8.360 nan 0.000 0.432 1155 R N 0.538 121.036 120.500 -0.004 0.000 2.370 1155 R HA 0.297 4.635 4.340 -0.003 0.000 0.309 1155 R C 0.628 176.915 176.300 -0.021 0.000 1.059 1155 R CA 0.912 57.009 56.100 -0.005 0.000 0.981 1155 R CB 0.326 30.625 30.300 -0.002 0.000 0.972 1155 R HN 0.774 nan 8.270 nan 0.000 0.437 1156 G N 1.553 110.342 108.800 -0.019 0.000 2.198 1156 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.260 1156 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.260 1156 G C -0.126 174.742 174.900 -0.053 0.000 1.025 1156 G CA 0.516 45.599 45.100 -0.027 0.000 0.769 1156 G HN 0.461 nan 8.290 nan 0.000 0.507 1157 K N -0.441 119.903 120.400 -0.092 0.000 2.259 1157 K HA 0.841 5.159 4.320 -0.003 0.000 0.252 1157 K C 0.132 176.571 176.600 -0.269 0.000 0.936 1157 K CA -0.886 55.299 56.287 -0.171 0.000 0.810 1157 K CB 1.017 33.385 32.500 -0.221 0.000 1.143 1157 K HN 0.160 nan 8.250 nan 0.000 0.427 1158 L N 3.367 124.404 121.223 -0.310 0.000 2.319 1158 L HA 0.581 4.919 4.340 -0.003 0.000 0.267 1158 L C -0.691 175.805 176.870 -0.623 0.000 1.011 1158 L CA -1.077 53.509 54.840 -0.423 0.000 0.818 1158 L CB 1.168 42.983 42.059 -0.406 0.000 1.316 1158 L HN 0.511 nan 8.230 nan 0.000 0.432 1159 F N 0.326 119.914 119.950 -0.604 0.000 2.404 1159 F HA 0.286 4.811 4.527 -0.003 0.000 0.354 1159 F C 0.230 175.702 175.800 -0.546 0.000 1.122 1159 F CA -0.169 57.464 58.000 -0.612 0.000 1.080 1159 F CB 0.830 39.194 39.000 -1.061 0.000 1.131 1159 F HN 0.284 nan 8.300 nan 0.000 0.471 1160 Y N 0.305 120.597 120.300 -0.014 0.000 2.457 1160 Y HA 0.111 4.660 4.550 -0.001 0.000 0.263 1160 Y C 1.021 177.002 175.900 0.136 0.000 1.164 1160 Y CA -0.115 58.014 58.100 0.048 0.000 1.274 1160 Y CB 0.376 38.846 38.460 0.016 0.000 1.097 1160 Y HN 0.482 nan 8.280 nan 0.000 0.523 1161 T N -2.940 111.799 114.554 0.309 0.000 2.907 1161 T HA 0.432 4.780 4.350 -0.003 0.000 0.292 1161 T C -1.185 173.778 174.700 0.439 0.000 1.043 1161 T CA -0.735 61.553 62.100 0.313 0.000 1.003 1161 T CB 1.998 70.998 68.868 0.219 0.000 1.084 1161 T HN -0.016 nan 8.240 nan 0.000 0.483 1162 F N 1.437 121.519 119.950 0.220 0.000 2.388 1162 F HA 0.563 5.087 4.527 -0.003 0.000 0.358 1162 F C 0.183 176.032 175.800 0.082 0.000 1.122 1162 F CA -1.390 56.704 58.000 0.156 0.000 1.056 1162 F CB 0.747 39.785 39.000 0.063 0.000 1.155 1162 F HN 0.746 nan 8.300 nan 0.000 0.461 1163 C N 4.690 123.648 119.300 -0.570 0.000 3.104 1163 C HA 0.452 4.910 4.460 -0.003 0.000 0.284 1163 C C 1.389 175.971 174.990 -0.680 0.000 1.326 1163 C CA 0.078 58.804 59.018 -0.487 0.000 1.725 1163 C CB -1.002 26.605 27.740 -0.223 0.000 2.156 1163 C HN 1.005 nan 8.230 nan 0.000 0.638 1164 G N 0.556 108.579 108.800 -1.295 0.000 2.543 1164 G HA2 0.458 4.416 3.960 -0.003 0.000 0.267 1164 G HA3 0.458 4.416 3.960 -0.003 0.000 0.267 1164 G C -0.520 174.098 174.900 -0.469 0.000 1.406 1164 G CA 0.102 44.747 45.100 -0.757 0.000 1.048 1164 G HN 0.261 nan 8.290 nan 0.000 0.548 1165 T N 1.231 115.804 114.554 0.032 0.000 2.806 1165 T HA 0.181 4.529 4.350 -0.003 0.000 0.290 1165 T C 1.485 176.524 174.700 0.566 0.000 0.966 1165 T CA -0.523 61.733 62.100 0.259 0.000 1.060 1165 T CB 1.479 70.474 68.868 0.213 0.000 0.927 1165 T HN 0.196 nan 8.240 nan 0.000 0.485 1166 I N 2.317 123.165 120.570 0.464 0.000 2.335 1166 I HA -0.098 4.070 4.170 -0.003 0.000 0.251 1166 I C 1.993 178.234 176.117 0.206 0.000 1.129 1166 I CA 1.521 63.016 61.300 0.325 0.000 1.402 1166 I CB -0.640 37.488 38.000 0.213 0.000 1.069 1166 I HN 0.671 nan 8.210 nan 0.000 0.424 1167 E N -0.828 119.526 120.200 0.256 0.000 2.418 1167 E HA -0.162 4.187 4.350 -0.003 0.000 0.197 1167 E C 1.077 177.717 176.600 0.066 0.000 1.026 1167 E CA 0.733 57.220 56.400 0.145 0.000 0.862 1167 E CB -0.175 29.590 29.700 0.107 0.000 0.799 1167 E HN 0.504 nan 8.360 nan 0.000 0.518 1168 Y N -1.549 118.895 120.300 0.240 0.000 2.507 1168 Y HA 0.225 4.773 4.550 -0.003 0.000 0.254 1168 Y C 0.202 176.306 175.900 0.339 0.000 1.171 1168 Y CA -0.721 57.552 58.100 0.288 0.000 1.238 1168 Y CB 0.525 39.124 38.460 0.231 0.000 1.148 1168 Y HN -0.037 nan 8.280 nan 0.000 0.525 1169 C N 1.896 121.343 119.300 0.246 0.000 2.369 1169 C HA 0.796 5.255 4.460 -0.003 0.000 0.358 1169 C C 0.975 175.709 174.990 -0.427 0.000 1.274 1169 C CA -0.961 57.960 59.018 -0.163 0.000 1.935 1169 C CB -1.065 26.290 27.740 -0.641 0.000 2.431 1169 C HN 0.492 nan 8.230 nan 0.000 0.545 1170 A N 7.503 129.872 122.820 -0.752 0.000 2.466 1170 A HA 0.386 4.705 4.320 -0.003 0.000 0.238 1170 A C -1.392 175.618 177.584 -0.955 0.000 1.074 1170 A CA -0.610 50.588 52.037 -1.398 0.000 0.774 1170 A CB -0.090 18.399 19.000 -0.850 0.000 1.015 1170 A HN 0.770 nan 8.150 nan 0.000 0.498 1171 P HA -0.190 nan 4.420 nan 0.000 0.216 1171 P C 1.337 178.392 177.300 -0.408 0.000 1.150 1171 P CA 1.574 64.312 63.100 -0.603 0.000 0.837 1171 P CB 0.056 31.426 31.700 -0.551 0.000 0.786 1172 E N 0.057 120.029 120.200 -0.379 0.000 2.153 1172 E HA -0.099 4.250 4.350 -0.003 0.000 0.194 1172 E C 1.712 178.188 176.600 -0.206 0.000 0.988 1172 E CA 1.347 57.605 56.400 -0.237 0.000 0.811 1172 E CB -1.281 28.313 29.700 -0.177 0.000 0.746 1172 E HN 0.115 nan 8.360 nan 0.000 0.466 1173 V N 1.501 121.248 119.914 -0.278 0.000 2.649 1173 V HA -0.101 4.017 4.120 -0.003 0.000 0.248 1173 V C 2.582 178.508 176.094 -0.280 0.000 1.054 1173 V CA 0.797 62.948 62.300 -0.248 0.000 1.073 1173 V CB -0.431 31.182 31.823 -0.349 0.000 0.699 1173 V HN 0.169 nan 8.190 nan 0.000 0.463 1174 L N -0.850 120.170 121.223 -0.339 0.000 2.201 1174 L HA -0.115 4.223 4.340 -0.003 0.000 0.212 1174 L C 2.290 179.054 176.870 -0.178 0.000 1.105 1174 L CA 1.463 56.136 54.840 -0.279 0.000 0.775 1174 L CB -0.275 41.609 42.059 -0.291 0.000 0.913 1174 L HN 0.344 nan 8.230 nan 0.000 0.440 1175 M N -1.652 117.850 119.600 -0.163 0.000 2.509 1175 M HA 0.118 4.596 4.480 -0.003 0.000 0.250 1175 M C 1.299 177.558 176.300 -0.068 0.000 1.132 1175 M CA 0.890 56.125 55.300 -0.109 0.000 1.080 1175 M CB 0.583 33.116 32.600 -0.112 0.000 1.408 1175 M HN 0.397 nan 8.290 nan 0.000 0.484 1176 G N 0.305 109.068 108.800 -0.061 0.000 2.227 1176 G HA2 -0.169 3.790 3.960 -0.003 0.000 0.168 1176 G HA3 -0.169 3.790 3.960 -0.003 0.000 0.168 1176 G C -0.120 174.785 174.900 0.008 0.000 1.006 1176 G CA -0.654 44.440 45.100 -0.012 0.000 0.684 1176 G HN 0.404 nan 8.290 nan 0.000 0.489 1177 N N 2.026 120.715 118.700 -0.018 0.000 2.518 1177 N HA 0.359 5.097 4.740 -0.003 0.000 0.266 1177 N C -2.505 173.007 175.510 0.002 0.000 1.196 1177 N CA -0.669 52.372 53.050 -0.015 0.000 0.947 1177 N CB 1.158 39.625 38.487 -0.032 0.000 1.098 1177 N HN 0.105 nan 8.380 nan 0.000 0.450 1178 P HA 0.093 nan 4.420 nan 0.000 0.272 1178 P C -1.074 176.192 177.300 -0.057 0.000 1.223 1178 P CA 0.202 63.157 63.100 -0.243 0.000 0.784 1178 P CB 0.343 31.577 31.700 -0.777 0.000 0.923 1179 Y N -1.053 119.210 120.300 -0.062 0.000 2.598 1179 Y HA 0.632 5.180 4.550 -0.003 0.000 0.340 1179 Y C 1.217 177.204 175.900 0.145 0.000 1.038 1179 Y CA -1.285 56.835 58.100 0.034 0.000 1.100 1179 Y CB 1.242 39.735 38.460 0.056 0.000 1.281 1179 Y HN 0.174 nan 8.280 nan 0.000 0.488 1180 R N 0.191 120.844 120.500 0.254 0.000 2.140 1180 R HA 0.328 4.667 4.340 -0.003 0.000 0.213 1180 R C 1.011 177.582 176.300 0.451 0.000 1.059 1180 R CA 1.294 57.539 56.100 0.243 0.000 1.000 1180 R CB -0.179 30.207 30.300 0.144 0.000 0.910 1180 R HN 1.248 nan 8.270 nan 0.000 0.455 1181 G N -0.824 108.267 108.800 0.486 0.000 3.131 1181 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.198 1181 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.198 1181 G C -1.518 173.494 174.900 0.187 0.000 1.435 1181 G CA 0.007 45.322 45.100 0.359 0.000 1.016 1181 G HN 0.230 nan 8.290 nan 0.000 0.499 1182 P HA -0.007 nan 4.420 nan 0.000 0.215 1182 P C 1.461 178.826 177.300 0.109 0.000 1.163 1182 P CA 2.043 65.210 63.100 0.111 0.000 0.894 1182 P CB -0.159 31.601 31.700 0.100 0.000 0.791 1183 E N -0.933 119.335 120.200 0.114 0.000 2.110 1183 E HA -0.155 4.193 4.350 -0.003 0.000 0.193 1183 E C 1.882 178.552 176.600 0.118 0.000 0.988 1183 E CA 0.737 57.203 56.400 0.109 0.000 0.804 1183 E CB -1.155 28.598 29.700 0.088 0.000 0.745 1183 E HN 0.108 nan 8.360 nan 0.000 0.458 1184 L N 1.070 122.337 121.223 0.073 0.000 2.093 1184 L HA -0.139 4.200 4.340 -0.003 0.000 0.208 1184 L C 2.121 179.059 176.870 0.113 0.000 1.085 1184 L CA 1.868 56.719 54.840 0.017 0.000 0.755 1184 L CB -0.308 41.630 42.059 -0.202 0.000 0.904 1184 L HN 0.115 nan 8.230 nan 0.000 0.435 1185 E N -1.226 119.032 120.200 0.096 0.000 2.106 1185 E HA -0.218 4.130 4.350 -0.003 0.000 0.192 1185 E C 2.008 178.690 176.600 0.136 0.000 0.984 1185 E CA 1.219 57.679 56.400 0.099 0.000 0.806 1185 E CB 0.042 29.779 29.700 0.062 0.000 0.750 1185 E HN 0.406 nan 8.360 nan 0.000 0.458 1186 M N -0.175 119.517 119.600 0.153 0.000 2.200 1186 M HA -0.126 4.352 4.480 -0.003 0.000 0.265 1186 M C 2.083 178.499 176.300 0.192 0.000 1.066 1186 M CA 0.926 56.319 55.300 0.155 0.000 1.127 1186 M CB -1.360 31.323 32.600 0.139 0.000 1.379 1186 M HN 0.411 nan 8.290 nan 0.000 0.420 1187 W N 1.898 123.233 121.300 0.059 0.000 2.338 1187 W HA -0.231 4.428 4.660 -0.003 0.000 0.304 1187 W C 2.387 178.965 176.519 0.099 0.000 1.212 1187 W CA 2.448 59.829 57.345 0.061 0.000 1.264 1187 W CB -0.477 28.997 29.460 0.024 0.000 1.142 1187 W HN 0.426 nan 8.180 nan 0.000 0.512 1188 S N 0.459 116.357 115.700 0.330 0.000 2.423 1188 S HA -0.180 4.288 4.470 -0.003 0.000 0.231 1188 S C 2.027 176.765 174.600 0.229 0.000 1.014 1188 S CA 1.238 59.632 58.200 0.323 0.000 0.965 1188 S CB -0.856 62.536 63.200 0.320 0.000 0.785 1188 S HN 0.327 nan 8.310 nan 0.000 0.495 1189 L N 1.111 122.437 121.223 0.171 0.000 2.156 1189 L HA 0.114 4.452 4.340 -0.003 0.000 0.208 1189 L C 2.975 179.948 176.870 0.171 0.000 1.095 1189 L CA 0.972 55.944 54.840 0.221 0.000 0.770 1189 L CB -1.064 41.130 42.059 0.224 0.000 0.914 1189 L HN 0.528 nan 8.230 nan 0.000 0.439 1190 G N -0.288 108.511 108.800 -0.002 0.000 2.421 1190 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.216 1190 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.216 1190 G C 1.570 176.354 174.900 -0.193 0.000 1.171 1190 G CA 0.906 45.907 45.100 -0.165 0.000 0.775 1190 G HN 0.181 nan 8.290 nan 0.000 0.543 1191 V N 0.944 120.720 119.914 -0.231 0.000 2.358 1191 V HA -0.149 3.969 4.120 -0.003 0.000 0.246 1191 V C 3.132 179.244 176.094 0.029 0.000 1.047 1191 V CA 2.256 64.429 62.300 -0.211 0.000 1.035 1191 V CB -0.855 30.758 31.823 -0.351 0.000 0.658 1191 V HN 0.375 nan 8.190 nan 0.000 0.452 1192 T N 0.586 115.271 114.554 0.219 0.000 2.821 1192 T HA -0.154 4.194 4.350 -0.003 0.000 0.267 1192 T C 1.881 176.665 174.700 0.139 0.000 1.046 1192 T CA 1.645 63.923 62.100 0.297 0.000 1.139 1192 T CB -0.293 68.764 68.868 0.314 0.000 0.871 1192 T HN 0.288 nan 8.240 nan 0.000 0.454 1193 L N 0.320 121.533 121.223 -0.017 0.000 1.994 1193 L HA -0.009 4.330 4.340 -0.003 0.000 0.208 1193 L C 2.131 178.860 176.870 -0.236 0.000 1.071 1193 L CA 1.712 56.334 54.840 -0.363 0.000 0.745 1193 L CB -1.035 40.561 42.059 -0.772 0.000 0.892 1193 L HN 0.250 nan 8.230 nan 0.000 0.431 1194 Y N 0.188 120.345 120.300 -0.238 0.000 2.165 1194 Y HA -0.276 4.272 4.550 -0.003 0.000 0.286 1194 Y C 2.446 178.324 175.900 -0.038 0.000 1.155 1194 Y CA 2.457 60.487 58.100 -0.117 0.000 1.164 1194 Y CB -0.635 37.737 38.460 -0.147 0.000 0.978 1194 Y HN 0.243 nan 8.280 nan 0.000 0.513 1195 T N 0.620 115.294 114.554 0.199 0.000 2.867 1195 T HA -0.148 4.200 4.350 -0.003 0.000 0.268 1195 T C 1.785 176.540 174.700 0.092 0.000 1.057 1195 T CA 1.234 63.440 62.100 0.177 0.000 1.136 1195 T CB -0.503 68.481 68.868 0.193 0.000 0.874 1195 T HN 0.285 nan 8.240 nan 0.000 0.466 1196 L N 2.155 123.409 121.223 0.052 0.000 2.027 1196 L HA -0.023 4.315 4.340 -0.003 0.000 0.206 1196 L C 2.528 179.378 176.870 -0.033 0.000 1.074 1196 L CA 1.580 56.456 54.840 0.059 0.000 0.745 1196 L CB -0.655 41.460 42.059 0.094 0.000 0.898 1196 L HN 0.251 nan 8.230 nan 0.000 0.433 1197 V N -4.086 115.687 119.914 -0.234 0.000 2.535 1197 V HA -0.046 4.072 4.120 -0.003 0.000 0.246 1197 V C 1.923 177.750 176.094 -0.445 0.000 1.045 1197 V CA 1.289 63.324 62.300 -0.441 0.000 1.058 1197 V CB -0.950 30.377 31.823 -0.827 0.000 0.689 1197 V HN 0.283 nan 8.190 nan 0.000 0.461 1198 F N 0.734 120.578 119.950 -0.176 0.000 2.704 1198 F HA 0.454 4.979 4.527 -0.003 0.000 0.304 1198 F C 1.323 177.124 175.800 0.002 0.000 1.094 1198 F CA -0.224 57.686 58.000 -0.150 0.000 1.275 1198 F CB -0.355 38.279 39.000 -0.611 0.000 1.073 1198 F HN 0.211 nan 8.300 nan 0.000 0.586 1199 E N 0.687 120.976 120.200 0.148 0.000 2.971 1199 E HA -0.247 4.101 4.350 -0.003 0.000 0.278 1199 E C -0.119 176.549 176.600 0.113 0.000 1.009 1199 E CA 0.914 57.376 56.400 0.104 0.000 0.862 1199 E CB -1.855 27.908 29.700 0.105 0.000 1.436 1199 E HN 0.720 nan 8.360 nan 0.000 0.434 1200 E N -0.242 120.061 120.200 0.171 0.000 2.412 1200 E HA 0.400 4.748 4.350 -0.003 0.000 0.279 1200 E C -0.748 175.961 176.600 0.180 0.000 0.984 1200 E CA -0.991 55.498 56.400 0.149 0.000 0.788 1200 E CB 1.120 30.899 29.700 0.131 0.000 1.277 1200 E HN 0.010 nan 8.360 nan 0.000 0.455 1201 N N 1.593 120.325 118.700 0.053 0.000 2.492 1201 N HA 0.058 4.796 4.740 -0.003 0.000 0.260 1201 N C -1.419 173.877 175.510 -0.356 0.000 1.215 1201 N CA -1.232 51.752 53.050 -0.110 0.000 0.923 1201 N CB 0.952 39.381 38.487 -0.098 0.000 1.092 1201 N HN 0.380 nan 8.380 nan 0.000 0.448 1202 P HA -0.038 nan 4.420 nan 0.000 0.222 1202 P C -0.684 175.813 177.300 -1.340 0.000 1.147 1202 P CA 1.216 63.264 63.100 -1.753 0.000 0.790 1202 P CB 0.064 30.305 31.700 -2.431 0.000 0.780 1203 F N -1.581 118.217 119.950 -0.253 0.000 2.539 1203 F HA 0.244 4.770 4.527 -0.003 0.000 0.328 1203 F C 1.501 177.263 175.800 -0.063 0.000 1.148 1203 F CA -1.016 56.911 58.000 -0.120 0.000 0.940 1203 F CB -0.017 38.936 39.000 -0.079 0.000 1.194 1203 F HN -0.205 nan 8.300 nan 0.000 0.438 1204 C N 0.010 119.376 119.300 0.110 0.000 2.393 1204 C HA -0.110 4.348 4.460 -0.003 0.000 0.276 1204 C C 1.097 176.138 174.990 0.085 0.000 1.215 1204 C CA 0.770 59.833 59.018 0.076 0.000 1.743 1204 C CB -0.632 27.143 27.740 0.058 0.000 2.044 1204 C HN 0.607 nan 8.230 nan 0.000 0.464 1205 E N 0.852 121.107 120.200 0.093 0.000 2.231 1205 E HA 0.244 4.593 4.350 -0.003 0.000 0.277 1205 E C 0.492 177.120 176.600 0.047 0.000 0.999 1205 E CA -0.512 55.922 56.400 0.056 0.000 0.827 1205 E CB 0.913 30.631 29.700 0.031 0.000 1.101 1205 E HN 0.059 nan 8.360 nan 0.000 0.393 1206 L N 2.170 123.402 121.223 0.016 0.000 2.187 1206 L HA -0.194 4.144 4.340 -0.003 0.000 0.213 1206 L C 1.761 178.573 176.870 -0.096 0.000 1.100 1206 L CA 1.868 56.693 54.840 -0.025 0.000 0.765 1206 L CB -0.280 41.761 42.059 -0.028 0.000 0.904 1206 L HN 0.574 nan 8.230 nan 0.000 0.437 1207 E N -1.228 118.923 120.200 -0.081 0.000 2.230 1207 E HA -0.139 4.209 4.350 -0.003 0.000 0.192 1207 E C 1.845 178.355 176.600 -0.150 0.000 0.987 1207 E CA 0.393 56.726 56.400 -0.111 0.000 0.841 1207 E CB 0.022 29.680 29.700 -0.071 0.000 0.783 1207 E HN 0.548 nan 8.360 nan 0.000 0.481 1208 E N 0.395 120.518 120.200 -0.128 0.000 2.219 1208 E HA -0.207 4.141 4.350 -0.003 0.000 0.198 1208 E C 1.974 178.295 176.600 -0.465 0.000 0.998 1208 E CA 1.179 57.488 56.400 -0.151 0.000 0.818 1208 E CB -0.135 29.592 29.700 0.045 0.000 0.741 1208 E HN 0.087 nan 8.360 nan 0.000 0.477 1209 T N 0.283 114.429 114.554 -0.681 0.000 2.881 1209 T HA -0.124 4.224 4.350 -0.003 0.000 0.270 1209 T C 1.986 176.389 174.700 -0.496 0.000 1.068 1209 T CA 1.237 62.768 62.100 -0.949 0.000 1.131 1209 T CB -0.104 68.414 68.868 -0.583 0.000 0.871 1209 T HN 0.226 nan 8.240 nan 0.000 0.479 1210 V N -0.298 119.415 119.914 -0.334 0.000 2.548 1210 V HA 0.154 4.272 4.120 -0.003 0.000 0.249 1210 V C 2.362 178.365 176.094 -0.150 0.000 1.055 1210 V CA 2.183 64.345 62.300 -0.230 0.000 1.065 1210 V CB -1.339 30.374 31.823 -0.183 0.000 0.681 1210 V HN 0.556 nan 8.190 nan 0.000 0.462 1211 E N 0.167 120.287 120.200 -0.133 0.000 2.190 1211 E HA 0.465 4.813 4.350 -0.003 0.000 0.191 1211 E C 1.766 178.345 176.600 -0.034 0.000 0.978 1211 E CA 1.457 57.818 56.400 -0.065 0.000 0.839 1211 E CB -0.569 29.109 29.700 -0.038 0.000 0.787 1211 E HN 2.267 nan 8.360 nan 0.000 0.473 1212 A N -1.126 121.641 122.820 -0.089 0.000 2.846 1212 A HA 0.119 4.437 4.320 -0.003 0.000 0.287 1212 A C 0.971 178.658 177.584 0.171 0.000 1.469 1212 A CA 0.874 52.946 52.037 0.058 0.000 0.757 1212 A CB -2.442 16.678 19.000 0.200 0.000 1.033 1212 A HN 1.804 nan 8.150 nan 0.000 0.516 1213 A N 0.808 123.694 122.820 0.112 0.000 2.395 1213 A HA 0.554 4.872 4.320 -0.003 0.000 0.286 1213 A C 0.534 178.002 177.584 -0.195 0.000 1.193 1213 A CA 0.332 52.350 52.037 -0.031 0.000 0.852 1213 A CB -0.246 18.770 19.000 0.027 0.000 1.118 1213 A HN 1.491 nan 8.150 nan 0.000 0.524 1214 I N 1.215 121.551 120.570 -0.389 0.000 2.412 1214 I HA 0.504 4.672 4.170 -0.003 0.000 0.296 1214 I C -0.817 174.865 176.117 -0.726 0.000 0.987 1214 I CA -0.598 60.407 61.300 -0.492 0.000 1.180 1214 I CB 1.413 39.219 38.000 -0.324 0.000 1.340 1214 I HN 0.571 nan 8.210 nan 0.000 0.455 1215 H N 4.338 123.327 119.070 -0.135 0.000 2.917 1215 H HA 0.413 4.967 4.556 -0.003 0.000 0.279 1215 H C -2.550 172.643 175.328 -0.224 0.000 1.211 1215 H CA -1.496 54.465 56.048 -0.145 0.000 1.534 1215 H CB 1.118 30.823 29.762 -0.094 0.000 1.581 1215 H HN 0.469 nan 8.280 nan 0.000 0.510 1216 P HA 0.120 nan 4.420 nan 0.000 0.272 1216 P C -1.677 175.370 177.300 -0.422 0.000 1.223 1216 P CA -1.263 61.400 63.100 -0.729 0.000 0.784 1216 P CB 0.873 31.816 31.700 -1.261 0.000 0.923 1217 P HA -0.022 nan 4.420 nan 0.000 0.221 1217 P C -0.398 176.957 177.300 0.092 0.000 1.150 1217 P CA 1.097 64.172 63.100 -0.042 0.000 0.800 1217 P CB -0.119 31.646 31.700 0.108 0.000 0.787 1218 Y N -3.747 116.523 120.300 -0.050 0.000 2.615 1218 Y HA 0.608 5.156 4.550 -0.003 0.000 0.341 1218 Y C -1.065 174.866 175.900 0.053 0.000 1.089 1218 Y CA -2.186 55.925 58.100 0.018 0.000 1.049 1218 Y CB 0.273 38.762 38.460 0.048 0.000 1.296 1218 Y HN -0.431 nan 8.280 nan 0.000 0.470 1219 L N 4.018 125.316 121.223 0.125 0.000 2.360 1219 L HA 0.534 4.872 4.340 -0.003 0.000 0.276 1219 L C 0.192 177.099 176.870 0.063 0.000 1.121 1219 L CA -0.529 54.334 54.840 0.039 0.000 0.845 1219 L CB 0.616 42.709 42.059 0.058 0.000 1.143 1219 L HN 0.724 nan 8.230 nan 0.000 0.452 1220 V N 0.261 120.162 119.914 -0.022 0.000 3.158 1220 V HA 0.788 4.906 4.120 -0.003 0.000 0.311 1220 V C 0.171 176.257 176.094 -0.013 0.000 1.181 1220 V CA -1.028 61.265 62.300 -0.013 0.000 1.054 1220 V CB 1.578 33.325 31.823 -0.127 0.000 1.085 1220 V HN 0.785 nan 8.190 nan 0.000 0.446 1221 S N 0.383 116.090 115.700 0.013 0.000 2.558 1221 S HA 0.305 4.774 4.470 -0.003 0.000 0.288 1221 S C 1.268 175.850 174.600 -0.030 0.000 1.318 1221 S CA 0.483 58.697 58.200 0.024 0.000 1.056 1221 S CB 0.859 64.119 63.200 0.099 0.000 0.853 1221 S HN 1.832 nan 8.310 nan 0.000 0.505 1222 K N 2.263 122.655 120.400 -0.013 0.000 2.281 1222 K HA -0.110 4.209 4.320 -0.003 0.000 0.203 1222 K C 1.738 178.313 176.600 -0.041 0.000 1.046 1222 K CA 2.076 58.346 56.287 -0.030 0.000 0.938 1222 K CB -1.152 31.343 32.500 -0.009 0.000 0.737 1222 K HN 0.859 nan 8.250 nan 0.000 0.458 1223 E N -0.205 119.988 120.200 -0.010 0.000 2.072 1223 E HA -0.033 4.315 4.350 -0.003 0.000 0.190 1223 E C 1.935 178.451 176.600 -0.140 0.000 0.982 1223 E CA 0.981 57.386 56.400 0.009 0.000 0.803 1223 E CB -0.118 29.667 29.700 0.142 0.000 0.755 1223 E HN 0.401 nan 8.360 nan 0.000 0.453 1224 L N -0.043 120.968 121.223 -0.354 0.000 2.072 1224 L HA -0.059 4.279 4.340 -0.003 0.000 0.205 1224 L C 1.810 178.407 176.870 -0.454 0.000 1.079 1224 L CA 1.617 55.980 54.840 -0.795 0.000 0.752 1224 L CB -0.348 41.059 42.059 -1.086 0.000 0.906 1224 L HN 0.145 nan 8.230 nan 0.000 0.436 1225 M N -0.419 119.023 119.600 -0.262 0.000 2.213 1225 M HA -0.129 4.349 4.480 -0.003 0.000 0.263 1225 M C 2.428 178.648 176.300 -0.133 0.000 1.062 1225 M CA 1.779 56.979 55.300 -0.166 0.000 1.105 1225 M CB -1.508 31.023 32.600 -0.114 0.000 1.385 1225 M HN 0.597 nan 8.290 nan 0.000 0.417 1226 S N -0.090 115.542 115.700 -0.113 0.000 2.436 1226 S HA -0.058 4.410 4.470 -0.003 0.000 0.228 1226 S C 1.853 176.409 174.600 -0.074 0.000 1.014 1226 S CA 0.486 58.644 58.200 -0.071 0.000 0.950 1226 S CB -0.713 62.465 63.200 -0.037 0.000 0.784 1226 S HN 0.385 nan 8.310 nan 0.000 0.504 1227 L N 2.993 124.145 121.223 -0.119 0.000 2.027 1227 L HA 0.033 4.372 4.340 -0.003 0.000 0.206 1227 L C 2.576 179.368 176.870 -0.130 0.000 1.074 1227 L CA 1.971 56.745 54.840 -0.110 0.000 0.745 1227 L CB -0.866 41.094 42.059 -0.165 0.000 0.898 1227 L HN 0.343 nan 8.230 nan 0.000 0.433 1228 V N -3.483 116.314 119.914 -0.194 0.000 2.427 1228 V HA -0.141 3.977 4.120 -0.003 0.000 0.248 1228 V C 2.295 178.317 176.094 -0.119 0.000 1.051 1228 V CA 1.904 64.109 62.300 -0.159 0.000 1.048 1228 V CB -1.066 30.688 31.823 -0.115 0.000 0.666 1228 V HN 0.453 nan 8.190 nan 0.000 0.456 1229 S N 1.358 117.002 115.700 -0.092 0.000 2.383 1229 S HA 0.011 4.479 4.470 -0.003 0.000 0.227 1229 S C 1.975 176.555 174.600 -0.033 0.000 1.026 1229 S CA 1.496 59.658 58.200 -0.062 0.000 0.981 1229 S CB -0.775 62.394 63.200 -0.051 0.000 0.818 1229 S HN 0.849 nan 8.310 nan 0.000 0.472 1230 G N 0.993 109.777 108.800 -0.027 0.000 2.421 1230 G HA2 -0.048 3.910 3.960 -0.003 0.000 0.217 1230 G HA3 -0.048 3.910 3.960 -0.003 0.000 0.217 1230 G C 1.280 176.191 174.900 0.020 0.000 1.143 1230 G CA 0.337 45.442 45.100 0.007 0.000 0.784 1230 G HN 0.430 nan 8.290 nan 0.000 0.541 1231 L N -0.323 120.886 121.223 -0.023 0.000 2.270 1231 L HA 0.279 4.617 4.340 -0.003 0.000 0.210 1231 L C 1.477 178.272 176.870 -0.125 0.000 1.104 1231 L CA 0.257 55.079 54.840 -0.030 0.000 0.804 1231 L CB 0.050 42.081 42.059 -0.047 0.000 0.937 1231 L HN 0.102 nan 8.230 nan 0.000 0.450 1232 L N 0.311 121.395 121.223 -0.232 0.000 3.036 1232 L HA 0.180 4.519 4.340 -0.003 0.000 0.237 1232 L C 0.079 177.003 176.870 0.090 0.000 1.319 1232 L CA -0.312 54.251 54.840 -0.462 0.000 1.112 1232 L CB -0.124 41.617 42.059 -0.530 0.000 1.480 1232 L HN 0.112 nan 8.230 nan 0.000 0.506 1233 Q N 2.230 122.166 119.800 0.227 0.000 2.307 1233 Q HA 0.172 4.510 4.340 -0.003 0.000 0.259 1233 Q C -1.552 174.657 176.000 0.348 0.000 0.998 1233 Q CA -1.652 54.293 55.803 0.237 0.000 0.923 1233 Q CB 1.208 30.032 28.738 0.143 0.000 1.196 1233 Q HN -0.019 nan 8.270 nan 0.000 0.416 1234 P HA -0.069 nan 4.420 nan 0.000 0.229 1234 P C -0.462 176.820 177.300 -0.031 0.000 1.160 1234 P CA 0.440 63.577 63.100 0.061 0.000 0.777 1234 P CB 0.314 32.017 31.700 0.005 0.000 0.814 1235 V N 3.328 123.254 119.914 0.019 0.000 2.334 1235 V HA 0.141 4.259 4.120 -0.003 0.000 0.267 1235 V C -1.083 175.026 176.094 0.024 0.000 1.040 1235 V CA -1.457 60.843 62.300 -0.000 0.000 0.866 1235 V CB 0.847 32.674 31.823 0.007 0.000 1.019 1235 V HN -0.023 nan 8.190 nan 0.000 0.468 1236 P HA -0.183 nan 4.420 nan 0.000 0.218 1236 P C 1.126 178.453 177.300 0.046 0.000 1.146 1236 P CA 1.229 64.346 63.100 0.028 0.000 0.813 1236 P CB 0.364 32.064 31.700 -0.001 0.000 0.778 1237 E N 0.192 120.412 120.200 0.033 0.000 2.371 1237 E HA -0.073 4.275 4.350 -0.003 0.000 0.194 1237 E C 1.661 178.285 176.600 0.040 0.000 1.012 1237 E CA 0.527 56.948 56.400 0.034 0.000 0.860 1237 E CB -0.441 29.274 29.700 0.024 0.000 0.811 1237 E HN 0.339 nan 8.360 nan 0.000 0.502 1238 R N 0.614 121.140 120.500 0.044 0.000 2.312 1238 R HA 0.198 4.537 4.340 -0.003 0.000 0.205 1238 R C 1.046 177.382 176.300 0.061 0.000 0.904 1238 R CA -0.334 55.794 56.100 0.046 0.000 1.052 1238 R CB 0.331 30.655 30.300 0.039 0.000 1.014 1238 R HN -0.052 nan 8.270 nan 0.000 0.503 1239 R N 1.548 122.097 120.500 0.080 0.000 2.643 1239 R HA 0.029 4.367 4.340 -0.003 0.000 0.270 1239 R C -0.492 175.859 176.300 0.084 0.000 1.061 1239 R CA 0.263 56.425 56.100 0.104 0.000 1.107 1239 R CB 0.604 30.993 30.300 0.148 0.000 0.999 1239 R HN -0.092 nan 8.270 nan 0.000 0.460 1240 T N 2.766 117.368 114.554 0.080 0.000 2.908 1240 T HA -0.044 4.304 4.350 -0.003 0.000 0.301 1240 T C 0.435 175.182 174.700 0.078 0.000 1.019 1240 T CA 0.320 62.463 62.100 0.071 0.000 1.152 1240 T CB 0.906 69.816 68.868 0.069 0.000 0.966 1240 T HN 0.544 nan 8.240 nan 0.000 0.540 1241 T N 1.620 116.214 114.554 0.067 0.000 2.862 1241 T HA 0.288 4.636 4.350 -0.003 0.000 0.276 1241 T C 1.358 176.093 174.700 0.059 0.000 0.974 1241 T CA -0.898 61.240 62.100 0.064 0.000 0.966 1241 T CB 0.559 69.460 68.868 0.054 0.000 1.072 1241 T HN 0.434 nan 8.240 nan 0.000 0.538 1242 L N 1.839 123.092 121.223 0.051 0.000 2.141 1242 L HA 0.075 4.413 4.340 -0.003 0.000 0.209 1242 L C 2.239 179.130 176.870 0.035 0.000 1.094 1242 L CA 1.939 56.802 54.840 0.038 0.000 0.763 1242 L CB -0.711 41.364 42.059 0.026 0.000 0.908 1242 L HN 0.723 nan 8.230 nan 0.000 0.437 1243 E N -0.242 119.980 120.200 0.037 0.000 2.077 1243 E HA -0.208 4.140 4.350 -0.003 0.000 0.193 1243 E C 2.141 178.766 176.600 0.041 0.000 0.989 1243 E CA 1.514 57.935 56.400 0.035 0.000 0.800 1243 E CB -0.160 29.560 29.700 0.033 0.000 0.746 1243 E HN 0.441 nan 8.360 nan 0.000 0.452 1244 K N 0.239 120.668 120.400 0.048 0.000 2.097 1244 K HA -0.021 4.298 4.320 -0.003 0.000 0.205 1244 K C 2.161 178.802 176.600 0.069 0.000 1.050 1244 K CA 0.602 56.922 56.287 0.055 0.000 0.938 1244 K CB -0.110 32.423 32.500 0.054 0.000 0.718 1244 K HN 0.124 nan 8.250 nan 0.000 0.442 1245 L N 1.101 122.368 121.223 0.073 0.000 2.056 1245 L HA -0.168 4.170 4.340 -0.003 0.000 0.207 1245 L C 2.113 179.034 176.870 0.085 0.000 1.078 1245 L CA 1.140 56.039 54.840 0.098 0.000 0.749 1245 L CB -0.116 41.999 42.059 0.094 0.000 0.901 1245 L HN -0.000 nan 8.230 nan 0.000 0.433 1246 V N -1.080 118.863 119.914 0.049 0.000 2.407 1246 V HA -0.268 3.850 4.120 -0.003 0.000 0.248 1246 V C 2.463 178.585 176.094 0.048 0.000 1.055 1246 V CA 2.232 64.551 62.300 0.032 0.000 1.049 1246 V CB -0.692 31.142 31.823 0.019 0.000 0.662 1246 V HN 0.514 nan 8.190 nan 0.000 0.455 1247 T N -1.443 113.144 114.554 0.055 0.000 3.100 1247 T HA -0.030 4.318 4.350 -0.003 0.000 0.253 1247 T C 0.811 175.556 174.700 0.075 0.000 1.118 1247 T CA -0.206 61.928 62.100 0.057 0.000 1.058 1247 T CB -0.594 68.302 68.868 0.047 0.000 0.953 1247 T HN 0.546 nan 8.240 nan 0.000 0.515 1248 D N 1.831 122.291 120.400 0.100 0.000 2.533 1248 D HA -0.009 4.629 4.640 -0.003 0.000 0.236 1248 D C -1.485 174.902 176.300 0.146 0.000 1.137 1248 D CA -1.231 52.848 54.000 0.132 0.000 0.867 1248 D CB 1.606 42.513 40.800 0.178 0.000 1.170 1248 D HN 0.165 nan 8.370 nan 0.000 0.474 1249 P HA -0.118 nan 4.420 nan 0.000 0.215 1249 P C 1.140 178.537 177.300 0.161 0.000 1.153 1249 P CA 0.901 64.076 63.100 0.125 0.000 0.853 1249 P CB -0.030 31.738 31.700 0.114 0.000 0.788 1250 W N -0.168 121.156 121.300 0.041 0.000 2.425 1250 W HA -0.114 4.544 4.660 -0.003 0.000 0.277 1250 W C 1.808 178.369 176.519 0.071 0.000 1.231 1250 W CA 1.055 58.423 57.345 0.039 0.000 1.248 1250 W CB -0.479 28.991 29.460 0.016 0.000 1.117 1250 W HN -0.303 nan 8.180 nan 0.000 0.568 1251 V N -0.049 120.032 119.914 0.277 0.000 2.488 1251 V HA -0.121 3.997 4.120 -0.003 0.000 0.246 1251 V C 2.295 178.407 176.094 0.030 0.000 1.046 1251 V CA 2.434 64.855 62.300 0.203 0.000 1.053 1251 V CB -1.411 30.577 31.823 0.275 0.000 0.679 1251 V HN 0.338 nan 8.190 nan 0.000 0.458 1252 T N -0.092 114.480 114.554 0.029 0.000 3.134 1252 T HA 0.234 4.582 4.350 -0.003 0.000 0.260 1252 T C 0.786 175.476 174.700 -0.016 0.000 1.027 1252 T CA -0.280 61.825 62.100 0.008 0.000 0.913 1252 T CB -0.205 68.680 68.868 0.028 0.000 1.046 1252 T HN 0.585 nan 8.240 nan 0.000 0.553 1253 Q N 1.413 121.177 119.800 -0.060 0.000 2.469 1253 Q HA 0.234 4.573 4.340 -0.003 0.000 0.279 1253 Q C -2.569 173.394 176.000 -0.063 0.000 1.097 1253 Q CA -1.352 54.407 55.803 -0.073 0.000 0.951 1253 Q CB -0.528 28.120 28.738 -0.149 0.000 1.297 1253 Q HN 0.074 nan 8.270 nan 0.000 0.465 1254 P HA 0.072 nan 4.420 nan 0.000 0.271 1254 P C -1.255 176.025 177.300 -0.034 0.000 1.226 1254 P CA -0.193 62.891 63.100 -0.027 0.000 0.765 1254 P CB 0.980 32.668 31.700 -0.019 0.000 0.835 1255 V N 4.193 124.092 119.914 -0.024 0.000 2.588 1255 V HA 0.420 4.538 4.120 -0.003 0.000 0.304 1255 V C -0.934 175.140 176.094 -0.032 0.000 1.042 1255 V CA -0.694 61.593 62.300 -0.021 0.000 0.877 1255 V CB 1.740 33.540 31.823 -0.039 0.000 0.996 1255 V HN 0.482 nan 8.190 nan 0.000 0.425 1256 N N 5.685 124.378 118.700 -0.012 0.000 2.564 1256 N HA 0.354 5.092 4.740 -0.003 0.000 0.248 1256 N C 0.522 176.013 175.510 -0.032 0.000 0.986 1256 N CA -0.367 52.655 53.050 -0.047 0.000 0.921 1256 N CB 1.596 40.038 38.487 -0.076 0.000 1.136 1256 N HN 0.742 nan 8.380 nan 0.000 0.509 1257 L N 1.863 123.064 121.223 -0.036 0.000 2.552 1257 L HA 0.064 4.403 4.340 -0.003 0.000 0.227 1257 L C 2.129 179.035 176.870 0.061 0.000 1.146 1257 L CA 0.402 55.265 54.840 0.039 0.000 0.858 1257 L CB -0.041 41.947 42.059 -0.117 0.000 0.969 1257 L HN 0.487 nan 8.230 nan 0.000 0.451 1258 A N -0.274 122.535 122.820 -0.019 0.000 2.206 1258 A HA -0.028 4.290 4.320 -0.003 0.000 0.211 1258 A C 1.762 179.290 177.584 -0.094 0.000 1.158 1258 A CA 1.184 53.206 52.037 -0.024 0.000 0.761 1258 A CB -0.796 18.186 19.000 -0.031 0.000 0.801 1258 A HN 0.493 nan 8.150 nan 0.000 0.473 1259 D N -1.799 118.456 120.400 -0.242 0.000 2.339 1259 D HA 0.394 5.032 4.640 -0.003 0.000 0.217 1259 D C -0.256 175.642 176.300 -0.670 0.000 1.050 1259 D CA 0.121 53.837 54.000 -0.475 0.000 0.856 1259 D CB -0.295 40.119 40.800 -0.644 0.000 0.922 1259 D HN 0.486 nan 8.370 nan 0.000 0.518 1260 Y N -0.668 119.641 120.300 0.015 0.000 2.442 1260 Y HA 0.559 5.107 4.550 -0.003 0.000 0.344 1260 Y C 0.033 176.075 175.900 0.237 0.000 0.976 1260 Y CA -1.361 56.779 58.100 0.067 0.000 1.040 1260 Y CB 2.431 40.832 38.460 -0.097 0.000 1.228 1260 Y HN -0.114 nan 8.280 nan 0.000 0.451 1261 T N 2.214 117.026 114.554 0.430 0.000 2.887 1261 T HA 0.052 4.401 4.350 -0.003 0.000 0.288 1261 T C 0.260 175.278 174.700 0.529 0.000 1.021 1261 T CA -0.714 61.628 62.100 0.404 0.000 1.000 1261 T CB 1.486 70.492 68.868 0.230 0.000 1.034 1261 T HN 0.907 nan 8.240 nan 0.000 0.467 1262 W N 2.085 123.511 121.300 0.211 0.000 2.358 1262 W HA -0.177 4.481 4.660 -0.003 0.000 0.303 1262 W C 1.947 178.594 176.519 0.213 0.000 1.208 1262 W CA 2.169 59.574 57.345 0.099 0.000 1.274 1262 W CB -0.234 29.123 29.460 -0.172 0.000 1.138 1262 W HN 0.991 nan 8.180 nan 0.000 0.515 1263 E N 0.695 121.022 120.200 0.212 0.000 2.110 1263 E HA -0.257 4.091 4.350 -0.003 0.000 0.193 1263 E C 1.814 178.444 176.600 0.049 0.000 0.988 1263 E CA 2.654 59.117 56.400 0.104 0.000 0.804 1263 E CB -1.340 28.441 29.700 0.135 0.000 0.745 1263 E HN 0.588 nan 8.360 nan 0.000 0.458 1264 E N 0.137 120.399 120.200 0.103 0.000 2.028 1264 E HA -0.007 4.341 4.350 -0.003 0.000 0.191 1264 E C 2.474 179.106 176.600 0.053 0.000 0.988 1264 E CA 1.422 57.871 56.400 0.082 0.000 0.799 1264 E CB -0.965 28.810 29.700 0.125 0.000 0.755 1264 E HN 0.442 nan 8.360 nan 0.000 0.447 1265 V N -0.734 119.253 119.914 0.121 0.000 2.379 1265 V HA -0.035 4.083 4.120 -0.003 0.000 0.245 1265 V C 2.128 178.182 176.094 -0.067 0.000 1.044 1265 V CA 1.410 63.769 62.300 0.099 0.000 1.036 1265 V CB -0.415 31.609 31.823 0.334 0.000 0.664 1265 V HN 0.574 nan 8.190 nan 0.000 0.453 1266 F N 1.154 120.834 119.950 -0.451 0.000 2.769 1266 F HA 0.351 4.876 4.527 -0.003 0.000 0.304 1266 F C 1.177 176.767 175.800 -0.350 0.000 1.158 1266 F CA -0.475 57.160 58.000 -0.607 0.000 1.398 1266 F CB -0.688 37.581 39.000 -1.217 0.000 1.094 1266 F HN 0.089 nan 8.300 nan 0.000 0.553 1267 R N 0.000 120.363 120.500 -0.228 0.000 2.786 1267 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 1267 R CA 0.000 55.992 56.100 -0.181 0.000 0.921 1267 R CB 0.000 30.156 30.300 -0.240 0.000 0.687 1267 R HN 0.000 nan 8.270 nan 0.000 0.535