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 2zm3_1_B DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEXX XXXXXAPPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEEN 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.664 174.600 0.107 0.000 1.055 980 S CA 0.000 58.248 58.200 0.081 0.000 1.107 980 S CB 0.000 63.252 63.200 0.087 0.000 0.593 981 F N 4.965 124.924 119.950 0.014 0.000 2.602 981 F HA 0.452 4.979 4.527 0.000 0.000 0.385 981 F C 0.479 176.295 175.800 0.026 0.000 1.063 981 F CA 1.284 59.295 58.000 0.019 0.000 1.233 981 F CB 0.502 39.511 39.000 0.015 0.000 1.067 981 F HN 0.379 nan 8.300 nan 0.000 0.564 982 S N 3.990 119.500 115.700 -0.316 0.000 2.880 982 S HA 0.705 5.176 4.470 0.000 0.000 0.308 982 S C 0.517 175.005 174.600 -0.186 0.000 1.195 982 S CA -0.384 57.746 58.200 -0.116 0.000 0.866 982 S CB 0.838 64.009 63.200 -0.049 0.000 1.254 982 S HN 0.824 nan 8.310 nan 0.000 0.571 983 A N 0.503 123.318 122.820 -0.010 0.000 2.019 983 A HA 0.318 4.639 4.320 0.000 0.000 0.219 983 A C 2.232 179.873 177.584 0.095 0.000 1.164 983 A CA 1.832 53.946 52.037 0.128 0.000 0.644 983 A CB -1.624 17.414 19.000 0.063 0.000 0.805 983 A HN 1.510 nan 8.150 nan 0.000 0.449 984 A N -0.387 122.419 122.820 -0.024 0.000 2.125 984 A HA -0.135 4.185 4.320 0.000 0.000 0.219 984 A C 1.596 179.129 177.584 -0.086 0.000 1.156 984 A CA 1.577 53.597 52.037 -0.027 0.000 0.671 984 A CB -0.338 18.644 19.000 -0.031 0.000 0.794 984 A HN 0.494 nan 8.150 nan 0.000 0.459 985 D N -0.977 119.288 120.400 -0.225 0.000 2.305 985 D HA 0.035 4.675 4.640 0.000 0.000 0.206 985 D C 1.688 177.863 176.300 -0.209 0.000 0.974 985 D CA 0.956 54.768 54.000 -0.312 0.000 0.871 985 D CB 0.430 40.774 40.800 -0.760 0.000 0.947 985 D HN 0.306 nan 8.370 nan 0.000 0.516 986 V N -0.399 119.418 119.914 -0.162 0.000 2.908 986 V HA -0.043 4.077 4.120 0.000 0.000 0.240 986 V C 1.110 177.068 176.094 -0.226 0.000 1.117 986 V CA 0.422 62.609 62.300 -0.189 0.000 1.133 986 V CB -0.171 31.490 31.823 -0.269 0.000 0.857 986 V HN 0.068 nan 8.190 nan 0.000 0.478 987 Y N -0.121 120.136 120.300 -0.072 0.000 2.470 987 Y HA 0.524 5.074 4.550 0.000 0.000 0.284 987 Y C 0.250 176.091 175.900 -0.099 0.000 1.188 987 Y CA 0.230 58.285 58.100 -0.075 0.000 1.269 987 Y CB 0.944 39.357 38.460 -0.078 0.000 1.094 987 Y HN 0.078 nan 8.280 nan 0.000 0.518 988 V N 0.877 120.800 119.914 0.015 0.000 2.817 988 V HA 0.422 4.543 4.120 0.000 0.000 0.303 988 V C -2.622 173.480 176.094 0.013 0.000 1.151 988 V CA -2.411 59.872 62.300 -0.029 0.000 0.929 988 V CB 2.292 34.080 31.823 -0.059 0.000 1.030 988 V HN -0.112 nan 8.190 nan 0.000 0.427 989 P HA 0.316 nan 4.420 nan 0.000 0.269 989 P C -0.191 177.205 177.300 0.161 0.000 1.209 989 P CA -0.055 63.128 63.100 0.138 0.000 0.776 989 P CB 0.636 32.498 31.700 0.270 0.000 0.876 990 D N 0.451 120.908 120.400 0.095 0.000 2.264 990 D HA -0.143 4.497 4.640 0.000 0.000 0.208 990 D C 1.567 177.906 176.300 0.065 0.000 0.966 990 D CA 0.769 54.810 54.000 0.069 0.000 0.864 990 D CB -0.177 40.643 40.800 0.033 0.000 0.933 990 D HN 0.465 nan 8.370 nan 0.000 0.499 991 E N -0.390 119.844 120.200 0.056 0.000 2.160 991 E HA -0.171 4.180 4.350 0.000 0.000 0.195 991 E C 1.011 177.527 176.600 -0.140 0.000 0.991 991 E CA 0.824 57.179 56.400 -0.076 0.000 0.810 991 E CB -0.123 29.480 29.700 -0.161 0.000 0.742 991 E HN 0.451 nan 8.360 nan 0.000 0.466 992 W N 1.555 122.836 121.300 -0.031 0.000 3.256 992 W HA 0.126 4.786 4.660 0.000 0.000 0.269 992 W C 0.816 177.318 176.519 -0.029 0.000 1.310 992 W CA -0.348 56.976 57.345 -0.035 0.000 1.673 992 W CB 0.107 29.538 29.460 -0.049 0.000 1.115 992 W HN 0.007 nan 8.180 nan 0.000 0.686 993 E N 1.432 121.718 120.200 0.144 0.000 2.360 993 E HA 0.241 4.591 4.350 0.000 0.000 0.269 993 E C -0.253 176.378 176.600 0.052 0.000 1.022 993 E CA -0.306 56.147 56.400 0.089 0.000 0.887 993 E CB 0.906 30.640 29.700 0.057 0.000 0.990 993 E HN -0.080 nan 8.360 nan 0.000 0.426 994 V N 1.753 121.697 119.914 0.051 0.000 2.628 994 V HA 0.809 4.930 4.120 0.000 0.000 0.306 994 V C -0.132 175.976 176.094 0.024 0.000 1.045 994 V CA -0.569 61.749 62.300 0.031 0.000 0.905 994 V CB 1.352 33.196 31.823 0.035 0.000 0.997 994 V HN 0.846 nan 8.190 nan 0.000 0.436 995 A N 4.054 126.882 122.820 0.013 0.000 2.488 995 A HA 0.368 4.688 4.320 0.000 0.000 0.249 995 A C 1.237 178.827 177.584 0.009 0.000 1.083 995 A CA 0.237 52.279 52.037 0.010 0.000 0.768 995 A CB -0.033 18.970 19.000 0.004 0.000 1.017 995 A HN 1.100 nan 8.150 nan 0.000 0.496 996 R N 0.906 121.411 120.500 0.007 0.000 2.152 996 R HA -0.157 4.183 4.340 0.000 0.000 0.232 996 R C 1.089 177.388 176.300 -0.001 0.000 1.117 996 R CA 1.947 58.049 56.100 0.004 0.000 0.981 996 R CB -0.046 30.254 30.300 -0.001 0.000 0.870 996 R HN 0.892 nan 8.270 nan 0.000 0.451 997 E N 0.327 120.526 120.200 -0.002 0.000 2.204 997 E HA -0.142 4.209 4.350 0.000 0.000 0.194 997 E C 1.433 178.031 176.600 -0.002 0.000 0.989 997 E CA 1.166 57.564 56.400 -0.004 0.000 0.824 997 E CB 0.114 29.812 29.700 -0.003 0.000 0.756 997 E HN 0.295 nan 8.360 nan 0.000 0.477 998 K N 0.041 120.441 120.400 0.001 0.000 2.515 998 K HA -0.009 4.311 4.320 0.000 0.000 0.196 998 K C 0.112 176.715 176.600 0.004 0.000 1.038 998 K CA 0.430 56.719 56.287 0.003 0.000 0.967 998 K CB 0.278 32.781 32.500 0.005 0.000 0.780 998 K HN 0.105 nan 8.250 nan 0.000 0.483 999 I N 1.354 121.926 120.570 0.003 0.000 2.460 999 I HA 0.178 4.348 4.170 0.000 0.000 0.298 999 I C -0.174 175.938 176.117 -0.007 0.000 0.989 999 I CA -0.302 61.000 61.300 0.003 0.000 1.173 999 I CB 1.735 39.739 38.000 0.007 0.000 1.338 999 I HN -0.162 nan 8.210 nan 0.000 0.456 1000 T N 6.016 120.566 114.554 -0.006 0.000 2.928 1000 T HA 0.531 4.881 4.350 0.000 0.000 0.296 1000 T C -0.176 174.515 174.700 -0.016 0.000 1.000 1000 T CA -0.625 61.465 62.100 -0.016 0.000 0.989 1000 T CB 1.836 70.699 68.868 -0.008 0.000 1.005 1000 T HN 0.348 nan 8.240 nan 0.000 0.442 1001 M N 2.294 121.866 119.600 -0.046 0.000 2.157 1001 M HA 0.351 4.831 4.480 0.000 0.000 0.354 1001 M C 0.814 177.104 176.300 -0.016 0.000 1.170 1001 M CA -0.537 54.734 55.300 -0.048 0.000 1.060 1001 M CB 1.474 33.956 32.600 -0.197 0.000 1.615 1001 M HN 0.624 nan 8.290 nan 0.000 0.460 1002 S N 2.776 118.500 115.700 0.040 0.000 2.324 1002 S HA 0.163 4.633 4.470 0.000 0.000 0.210 1002 S C 0.484 175.132 174.600 0.080 0.000 1.027 1002 S CA 0.588 58.817 58.200 0.048 0.000 0.945 1002 S CB 0.306 63.535 63.200 0.049 0.000 0.908 1002 S HN 0.798 nan 8.310 nan 0.000 0.496 1003 R N 0.493 121.074 120.500 0.135 0.000 2.752 1003 R HA 0.518 4.858 4.340 0.000 0.000 0.271 1003 R C -1.751 174.682 176.300 0.221 0.000 1.026 1003 R CA -0.892 55.307 56.100 0.165 0.000 0.901 1003 R CB 0.892 31.245 30.300 0.089 0.000 1.243 1003 R HN -0.020 nan 8.270 nan 0.000 0.463 1004 E N 0.669 120.957 120.200 0.146 0.000 2.392 1004 E HA 0.060 4.411 4.350 0.000 0.000 0.264 1004 E C 0.071 176.640 176.600 -0.051 0.000 1.024 1004 E CA -0.014 56.347 56.400 -0.065 0.000 0.903 1004 E CB 0.954 30.584 29.700 -0.116 0.000 0.963 1004 E HN 0.420 nan 8.360 nan 0.000 0.432 1005 L N 1.184 122.347 121.223 -0.100 0.000 2.356 1005 L HA 0.323 4.663 4.340 0.000 0.000 0.193 1005 L C 1.076 177.906 176.870 -0.066 0.000 1.087 1005 L CA 0.449 55.258 54.840 -0.051 0.000 0.817 1005 L CB 0.192 42.233 42.059 -0.030 0.000 1.035 1005 L HN 0.640 nan 8.230 nan 0.000 0.482 1006 G N -1.194 107.543 108.800 -0.104 0.000 2.506 1006 G HA2 0.357 4.317 3.960 0.000 0.000 0.292 1006 G HA3 0.357 4.317 3.960 0.000 0.000 0.292 1006 G C -2.056 172.777 174.900 -0.113 0.000 1.425 1006 G CA -0.473 44.574 45.100 -0.088 0.000 0.788 1006 G HN -0.162 nan 8.290 nan 0.000 0.490 1007 Q N -0.085 119.663 119.800 -0.086 0.000 2.304 1007 Q HA 0.582 4.922 4.340 0.000 0.000 0.260 1007 Q C 0.605 176.571 176.000 -0.057 0.000 0.965 1007 Q CA 0.660 56.414 55.803 -0.080 0.000 0.898 1007 Q CB 0.958 29.657 28.738 -0.065 0.000 1.196 1007 Q HN 0.889 nan 8.270 nan 0.000 0.402 1008 G N 1.307 110.083 108.800 -0.040 0.000 2.642 1008 G HA2 0.303 4.263 3.960 0.000 0.000 0.291 1008 G HA3 0.303 4.263 3.960 0.000 0.000 0.291 1008 G C 0.275 175.143 174.900 -0.053 0.000 1.345 1008 G CA -0.257 44.838 45.100 -0.007 0.000 1.043 1008 G HN 0.688 nan 8.290 nan 0.000 0.528 1009 S N -0.915 114.734 115.700 -0.086 0.000 2.382 1009 S HA -0.064 4.406 4.470 0.000 0.000 0.228 1009 S C 1.408 175.690 174.600 -0.530 0.000 1.027 1009 S CA 1.467 59.444 58.200 -0.372 0.000 0.991 1009 S CB -0.274 62.585 63.200 -0.569 0.000 0.823 1009 S HN 0.436 nan 8.310 nan 0.000 0.469 1010 F N 0.361 120.341 119.950 0.051 0.000 2.706 1010 F HA 0.497 5.025 4.527 0.000 0.000 0.313 1010 F C 1.086 176.828 175.800 -0.096 0.000 1.096 1010 F CA 0.086 58.081 58.000 -0.010 0.000 1.219 1010 F CB 0.933 39.958 39.000 0.042 0.000 1.051 1010 F HN 0.267 nan 8.300 nan 0.000 0.568 1011 G N 0.037 108.875 108.800 0.062 0.000 2.320 1011 G HA2 0.311 4.271 3.960 0.000 0.000 0.297 1011 G HA3 0.311 4.271 3.960 0.000 0.000 0.297 1011 G C -1.651 173.239 174.900 -0.018 0.000 1.344 1011 G CA -1.221 43.881 45.100 0.004 0.000 0.851 1011 G HN -0.118 nan 8.290 nan 0.000 0.567 1012 M N 0.703 120.267 119.600 -0.059 0.000 2.248 1012 M HA 0.515 4.995 4.480 0.000 0.000 0.345 1012 M C -0.060 176.078 176.300 -0.271 0.000 1.243 1012 M CA 0.027 55.203 55.300 -0.208 0.000 1.090 1012 M CB 0.819 33.230 32.600 -0.315 0.000 1.683 1012 M HN 0.456 nan 8.290 nan 0.000 0.450 1013 V N 6.716 126.443 119.914 -0.311 0.000 2.472 1013 V HA 0.442 4.562 4.120 0.000 0.000 0.290 1013 V C -0.874 174.997 176.094 -0.371 0.000 1.037 1013 V CA -0.533 61.653 62.300 -0.191 0.000 0.908 1013 V CB 1.090 32.882 31.823 -0.051 0.000 0.985 1013 V HN 0.778 nan 8.190 nan 0.000 0.454 1014 Y N 1.177 121.498 120.300 0.035 0.000 2.562 1014 Y HA 0.508 5.058 4.550 0.000 0.000 0.343 1014 Y C 0.327 176.242 175.900 0.025 0.000 1.025 1014 Y CA -0.806 57.309 58.100 0.026 0.000 1.082 1014 Y CB 1.534 40.007 38.460 0.022 0.000 1.264 1014 Y HN 0.620 nan 8.280 nan 0.000 0.478 1015 E N 0.470 120.781 120.200 0.186 0.000 2.283 1015 E HA 0.662 5.012 4.350 0.000 0.000 0.267 1015 E C -0.308 176.356 176.600 0.107 0.000 1.045 1015 E CA -0.288 56.179 56.400 0.112 0.000 0.884 1015 E CB 1.230 30.975 29.700 0.074 0.000 1.106 1015 E HN 0.890 nan 8.360 nan 0.000 0.408 1016 G N 0.373 109.214 108.800 0.069 0.000 2.340 1016 G HA2 0.351 4.311 3.960 0.000 0.000 0.299 1016 G HA3 0.351 4.311 3.960 0.000 0.000 0.299 1016 G C -1.561 173.359 174.900 0.034 0.000 1.291 1016 G CA -0.488 44.642 45.100 0.048 0.000 0.841 1016 G HN 0.463 nan 8.290 nan 0.000 0.500 1017 V N -0.449 119.479 119.914 0.024 0.000 2.960 1017 V HA 0.906 5.026 4.120 0.000 0.000 0.315 1017 V C 0.221 176.325 176.094 0.018 0.000 1.087 1017 V CA -0.305 62.007 62.300 0.019 0.000 0.982 1017 V CB 1.644 33.474 31.823 0.013 0.000 1.039 1017 V HN 1.878 nan 8.190 nan 0.000 0.437 1018 A N 2.273 125.103 122.820 0.017 0.000 2.385 1018 A HA 0.598 4.918 4.320 0.000 0.000 0.290 1018 A C -0.516 177.075 177.584 0.011 0.000 1.094 1018 A CA -0.730 51.316 52.037 0.016 0.000 0.729 1018 A CB 0.904 19.918 19.000 0.023 0.000 1.194 1018 A HN 0.741 nan 8.150 nan 0.000 0.442 1019 K N 1.407 121.811 120.400 0.007 0.000 2.378 1019 K HA 0.380 4.700 4.320 0.000 0.000 0.288 1019 K C 0.887 177.488 176.600 0.001 0.000 1.057 1019 K CA 0.922 57.211 56.287 0.003 0.000 0.971 1019 K CB 0.614 33.115 32.500 0.001 0.000 0.975 1019 K HN 1.618 nan 8.250 nan 0.000 0.475 1020 G N 2.043 110.842 108.800 -0.001 0.000 2.351 1020 G HA2 -0.212 3.749 3.960 0.000 0.000 0.297 1020 G HA3 -0.212 3.749 3.960 0.000 0.000 0.297 1020 G C 0.336 175.232 174.900 -0.007 0.000 1.054 1020 G CA 0.340 45.437 45.100 -0.006 0.000 1.123 1020 G HN 0.562 nan 8.290 nan 0.000 0.512 1021 V N -3.307 116.606 119.914 -0.002 0.000 3.477 1021 V HA 0.657 4.777 4.120 0.000 0.000 0.297 1021 V C 0.637 176.728 176.094 -0.004 0.000 1.433 1021 V CA 0.391 62.692 62.300 0.001 0.000 1.052 1021 V CB 0.765 32.598 31.823 0.017 0.000 0.895 1021 V HN 0.699 nan 8.190 nan 0.000 0.438 1022 V N 0.812 120.723 119.914 -0.006 0.000 2.760 1022 V HA 0.383 4.503 4.120 0.000 0.000 0.309 1022 V C -0.113 175.974 176.094 -0.013 0.000 1.077 1022 V CA -1.213 61.082 62.300 -0.008 0.000 0.910 1022 V CB 2.123 33.947 31.823 0.002 0.000 1.008 1022 V HN 0.433 nan 8.190 nan 0.000 0.424 1023 K N 2.607 122.996 120.400 -0.018 0.000 2.524 1023 K HA -0.022 4.298 4.320 0.000 0.000 0.279 1023 K C 0.471 177.064 176.600 -0.013 0.000 0.993 1023 K CA 0.815 57.090 56.287 -0.019 0.000 1.030 1023 K CB 0.062 32.549 32.500 -0.022 0.000 0.891 1023 K HN 0.845 nan 8.250 nan 0.000 0.488 1024 D N 2.247 122.640 120.400 -0.012 0.000 2.708 1024 D HA -0.207 4.433 4.640 0.000 0.000 0.236 1024 D C -1.330 174.966 176.300 -0.006 0.000 1.146 1024 D CA 1.562 55.557 54.000 -0.009 0.000 0.662 1024 D CB -0.700 40.095 40.800 -0.009 0.000 1.059 1024 D HN 0.670 nan 8.370 nan 0.000 0.428 1025 E N -1.166 119.030 120.200 -0.006 0.000 2.349 1025 E HA 0.278 4.628 4.350 0.000 0.000 0.290 1025 E C -2.206 174.392 176.600 -0.003 0.000 0.901 1025 E CA -1.333 55.066 56.400 -0.002 0.000 0.800 1025 E CB 1.379 31.079 29.700 -0.000 0.000 1.303 1025 E HN -0.050 nan 8.360 nan 0.000 0.397 1026 P HA 0.033 nan 4.420 nan 0.000 0.214 1026 P C -0.557 176.744 177.300 0.001 0.000 1.167 1026 P CA 0.633 63.732 63.100 -0.002 0.000 0.882 1026 P CB 0.419 32.118 31.700 -0.001 0.000 0.777 1027 E N -0.733 119.469 120.200 0.002 0.000 2.176 1027 E HA 0.401 4.751 4.350 0.000 0.000 0.267 1027 E C -0.855 175.749 176.600 0.006 0.000 0.893 1027 E CA -0.300 56.103 56.400 0.005 0.000 0.761 1027 E CB 1.585 31.288 29.700 0.005 0.000 1.133 1027 E HN -0.107 nan 8.360 nan 0.000 0.409 1028 T N 2.830 117.389 114.554 0.009 0.000 2.829 1028 T HA 0.339 4.689 4.350 0.000 0.000 0.280 1028 T C -0.156 174.552 174.700 0.014 0.000 0.999 1028 T CA -0.756 61.351 62.100 0.011 0.000 0.983 1028 T CB 0.988 69.864 68.868 0.013 0.000 0.968 1028 T HN 0.242 nan 8.240 nan 0.000 0.446 1029 R N 1.841 122.349 120.500 0.013 0.000 2.442 1029 R HA 0.515 4.855 4.340 0.000 0.000 0.291 1029 R C -0.011 176.301 176.300 0.021 0.000 1.069 1029 R CA -0.406 55.704 56.100 0.016 0.000 1.022 1029 R CB 0.420 30.727 30.300 0.011 0.000 0.976 1029 R HN 0.494 nan 8.270 nan 0.000 0.443 1030 V N -1.185 118.747 119.914 0.030 0.000 3.130 1030 V HA 0.855 4.975 4.120 0.000 0.000 0.310 1030 V C -0.666 175.459 176.094 0.051 0.000 1.158 1030 V CA -1.305 61.018 62.300 0.038 0.000 1.029 1030 V CB 2.056 33.905 31.823 0.043 0.000 1.057 1030 V HN 0.789 nan 8.190 nan 0.000 0.436 1031 A N 2.701 125.554 122.820 0.056 0.000 2.292 1031 A HA 0.893 5.213 4.320 0.000 0.000 0.319 1031 A C -0.559 177.081 177.584 0.094 0.000 1.206 1031 A CA -0.576 51.504 52.037 0.071 0.000 0.835 1031 A CB 0.371 19.405 19.000 0.057 0.000 1.164 1031 A HN 0.918 nan 8.150 nan 0.000 0.505 1032 I N 3.004 123.653 120.570 0.131 0.000 2.390 1032 I HA 0.218 4.388 4.170 0.000 0.000 0.283 1032 I C -0.070 176.166 176.117 0.199 0.000 1.016 1032 I CA -0.214 61.183 61.300 0.163 0.000 1.151 1032 I CB 1.548 39.653 38.000 0.174 0.000 1.293 1032 I HN 0.549 nan 8.210 nan 0.000 0.458 1033 K N 5.137 125.658 120.400 0.201 0.000 2.258 1033 K HA 0.424 4.745 4.320 0.000 0.000 0.284 1033 K C 0.198 176.953 176.600 0.259 0.000 1.051 1033 K CA -0.399 56.038 56.287 0.250 0.000 0.923 1033 K CB 1.254 33.958 32.500 0.341 0.000 1.046 1033 K HN 0.655 nan 8.250 nan 0.000 0.474 1034 T N -1.771 112.877 114.554 0.156 0.000 2.950 1034 T HA 0.540 4.890 4.350 0.000 0.000 0.288 1034 T C -0.377 174.190 174.700 -0.221 0.000 1.035 1034 T CA -0.827 61.291 62.100 0.030 0.000 1.028 1034 T CB 1.503 70.455 68.868 0.140 0.000 1.109 1034 T HN 0.187 nan 8.240 nan 0.000 0.514 1035 V N 2.157 121.876 119.914 -0.325 0.000 2.482 1035 V HA 0.364 4.485 4.120 0.000 0.000 0.295 1035 V C -0.167 175.820 176.094 -0.178 0.000 1.026 1035 V CA -1.079 60.994 62.300 -0.379 0.000 0.856 1035 V CB 1.338 32.727 31.823 -0.724 0.000 1.001 1035 V HN 1.034 nan 8.190 nan 0.000 0.424 1036 N N 2.811 121.451 118.700 -0.100 0.000 2.329 1036 N HA -0.029 4.711 4.740 0.000 0.000 0.237 1036 N C 1.405 176.881 175.510 -0.056 0.000 1.258 1036 N CA 0.487 53.506 53.050 -0.052 0.000 0.866 1036 N CB 0.568 39.039 38.487 -0.027 0.000 1.102 1036 N HN 0.830 nan 8.380 nan 0.000 0.440 1037 E N 0.455 120.634 120.200 -0.036 0.000 2.204 1037 E HA -0.222 4.128 4.350 0.000 0.000 0.195 1037 E C 1.060 177.646 176.600 -0.022 0.000 0.990 1037 E CA 1.246 57.629 56.400 -0.028 0.000 0.821 1037 E CB -0.134 29.555 29.700 -0.017 0.000 0.750 1037 E HN 0.598 nan 8.360 nan 0.000 0.477 1038 A N 1.368 124.176 122.820 -0.019 0.000 2.208 1038 A HA 0.398 4.719 4.320 0.000 0.000 0.209 1038 A C 1.346 178.921 177.584 -0.014 0.000 1.161 1038 A CA 0.331 52.361 52.037 -0.012 0.000 0.782 1038 A CB -0.150 18.846 19.000 -0.007 0.000 0.816 1038 A HN 0.334 nan 8.150 nan 0.000 0.477 1039 A N 1.161 123.966 122.820 -0.025 0.000 2.511 1039 A HA 0.462 4.782 4.320 0.000 0.000 0.242 1039 A C 0.960 178.534 177.584 -0.016 0.000 1.069 1039 A CA 0.343 52.367 52.037 -0.022 0.000 0.763 1039 A CB -0.204 18.769 19.000 -0.045 0.000 1.001 1039 A HN 1.076 nan 8.150 nan 0.000 0.498 1040 S N 2.979 118.677 115.700 -0.003 0.000 2.579 1040 S HA 0.150 4.620 4.470 0.000 0.000 0.275 1040 S C 1.171 175.765 174.600 -0.010 0.000 1.345 1040 S CA 0.295 58.495 58.200 -0.001 0.000 1.031 1040 S CB 0.290 63.494 63.200 0.007 0.000 0.892 1040 S HN 0.904 nan 8.310 nan 0.000 0.529 1041 M N 1.122 120.717 119.600 -0.009 0.000 2.106 1041 M HA -0.185 4.295 4.480 0.000 0.000 0.259 1041 M C 2.239 178.509 176.300 -0.050 0.000 1.068 1041 M CA 2.061 57.347 55.300 -0.022 0.000 1.100 1041 M CB -0.271 32.330 32.600 0.002 0.000 1.351 1041 M HN 0.835 nan 8.290 nan 0.000 0.404 1042 R N 0.698 121.181 120.500 -0.028 0.000 2.091 1042 R HA -0.134 4.206 4.340 0.000 0.000 0.238 1042 R C 1.765 178.052 176.300 -0.022 0.000 1.136 1042 R CA 1.982 58.062 56.100 -0.033 0.000 0.959 1042 R CB -0.577 29.721 30.300 -0.004 0.000 0.856 1042 R HN 0.454 nan 8.270 nan 0.000 0.437 1043 E N -0.038 120.173 120.200 0.019 0.000 2.152 1043 E HA -0.121 4.229 4.350 0.000 0.000 0.192 1043 E C 1.944 178.545 176.600 0.001 0.000 0.983 1043 E CA 0.726 57.183 56.400 0.094 0.000 0.818 1043 E CB -0.208 29.581 29.700 0.149 0.000 0.758 1043 E HN 0.367 nan 8.360 nan 0.000 0.467 1044 R N 0.584 121.047 120.500 -0.061 0.000 2.075 1044 R HA -0.017 4.323 4.340 0.000 0.000 0.232 1044 R C 2.398 178.609 176.300 -0.148 0.000 1.126 1044 R CA 0.808 56.849 56.100 -0.098 0.000 0.963 1044 R CB -0.178 30.070 30.300 -0.086 0.000 0.858 1044 R HN 0.085 nan 8.270 nan 0.000 0.435 1045 I N 0.649 121.072 120.570 -0.245 0.000 2.226 1045 I HA -0.253 3.917 4.170 0.000 0.000 0.245 1045 I C 2.332 178.255 176.117 -0.323 0.000 1.100 1045 I CA 1.442 62.468 61.300 -0.457 0.000 1.374 1045 I CB -0.225 37.414 38.000 -0.602 0.000 1.057 1045 I HN 0.283 nan 8.210 nan 0.000 0.413 1046 E N 1.020 121.100 120.200 -0.200 0.000 2.051 1046 E HA -0.281 4.069 4.350 0.000 0.000 0.192 1046 E C 2.049 178.434 176.600 -0.358 0.000 0.991 1046 E CA 1.513 57.828 56.400 -0.142 0.000 0.799 1046 E CB -0.378 29.376 29.700 0.089 0.000 0.748 1046 E HN 0.374 nan 8.360 nan 0.000 0.449 1047 F N 0.665 120.097 119.950 -0.863 0.000 2.091 1047 F HA -0.198 4.329 4.527 0.000 0.000 0.299 1047 F C 1.772 177.231 175.800 -0.568 0.000 1.103 1047 F CA 1.682 58.967 58.000 -1.191 0.000 1.228 1047 F CB -0.244 38.156 39.000 -1.001 0.000 0.984 1047 F HN 0.060 nan 8.300 nan 0.000 0.477 1048 L N -0.173 120.824 121.223 -0.376 0.000 2.109 1048 L HA -0.194 4.146 4.340 0.000 0.000 0.207 1048 L C 2.148 178.819 176.870 -0.331 0.000 1.086 1048 L CA 1.569 56.202 54.840 -0.346 0.000 0.760 1048 L CB -0.889 41.080 42.059 -0.150 0.000 0.910 1048 L HN 0.211 nan 8.230 nan 0.000 0.437 1049 N N -0.236 118.299 118.700 -0.275 0.000 2.120 1049 N HA -0.243 4.497 4.740 0.000 0.000 0.188 1049 N C 1.783 177.145 175.510 -0.246 0.000 1.024 1049 N CA 1.086 54.011 53.050 -0.207 0.000 0.852 1049 N CB -0.001 38.400 38.487 -0.143 0.000 1.003 1049 N HN 0.353 nan 8.380 nan 0.000 0.424 1050 E N 1.051 121.086 120.200 -0.275 0.000 2.058 1050 E HA -0.211 4.140 4.350 0.000 0.000 0.194 1050 E C 2.023 178.417 176.600 -0.344 0.000 0.997 1050 E CA 1.181 57.436 56.400 -0.242 0.000 0.801 1050 E CB -0.051 29.549 29.700 -0.166 0.000 0.746 1050 E HN 0.358 nan 8.360 nan 0.000 0.450 1051 A N 0.413 122.949 122.820 -0.475 0.000 1.892 1051 A HA -0.221 4.099 4.320 0.000 0.000 0.218 1051 A C 2.366 179.647 177.584 -0.505 0.000 1.188 1051 A CA 2.096 53.833 52.037 -0.500 0.000 0.631 1051 A CB -0.721 17.932 19.000 -0.577 0.000 0.822 1051 A HN 0.298 nan 8.150 nan 0.000 0.447 1052 S N -0.703 114.724 115.700 -0.454 0.000 2.419 1052 S HA -0.085 4.385 4.470 0.000 0.000 0.233 1052 S C 1.741 176.061 174.600 -0.468 0.000 1.016 1052 S CA 1.268 59.193 58.200 -0.457 0.000 0.974 1052 S CB -0.271 62.744 63.200 -0.309 0.000 0.786 1052 S HN 0.354 nan 8.310 nan 0.000 0.492 1053 V N 1.089 120.729 119.914 -0.455 0.000 2.591 1053 V HA -0.006 4.115 4.120 0.000 0.000 0.249 1053 V C 2.111 177.592 176.094 -1.022 0.000 1.053 1053 V CA 1.394 63.347 62.300 -0.578 0.000 1.068 1053 V CB -0.403 31.177 31.823 -0.405 0.000 0.689 1053 V HN 0.454 nan 8.190 nan 0.000 0.462 1054 M N -0.589 118.525 119.600 -0.810 0.000 2.236 1054 M HA -0.090 4.391 4.480 0.000 0.000 0.266 1054 M C 2.155 178.036 176.300 -0.699 0.000 1.070 1054 M CA 1.543 56.343 55.300 -0.834 0.000 1.137 1054 M CB -0.124 32.214 32.600 -0.437 0.000 1.378 1054 M HN 0.108 nan 8.290 nan 0.000 0.426 1055 K N -0.142 119.868 120.400 -0.651 0.000 2.113 1055 K HA -0.243 4.077 4.320 0.000 0.000 0.208 1055 K C 1.717 178.124 176.600 -0.322 0.000 1.047 1055 K CA 1.621 57.531 56.287 -0.628 0.000 0.928 1055 K CB -0.145 31.572 32.500 -1.305 0.000 0.716 1055 K HN 0.196 nan 8.250 nan 0.000 0.446 1056 E N -0.193 119.745 120.200 -0.437 0.000 2.427 1056 E HA -0.030 4.320 4.350 0.000 0.000 0.196 1056 E C -0.576 176.026 176.600 0.004 0.000 1.028 1056 E CA 0.287 56.571 56.400 -0.195 0.000 0.864 1056 E CB 0.179 29.737 29.700 -0.237 0.000 0.813 1056 E HN 0.017 nan 8.360 nan 0.000 0.514 1057 F N 1.350 121.228 119.950 -0.120 0.000 2.438 1057 F HA 0.272 4.799 4.527 0.000 0.000 0.360 1057 F C 0.408 176.193 175.800 -0.025 0.000 1.118 1057 F CA -0.941 57.038 58.000 -0.036 0.000 1.164 1057 F CB -0.010 38.824 39.000 -0.276 0.000 1.131 1057 F HN -0.160 nan 8.300 nan 0.000 0.527 1058 N N 3.503 122.335 118.700 0.220 0.000 2.776 1058 N HA 0.344 5.084 4.740 0.000 0.000 0.245 1058 N C -1.649 173.702 175.510 -0.264 0.000 1.121 1058 N CA -0.107 52.957 53.050 0.025 0.000 0.852 1058 N CB 0.799 39.351 38.487 0.109 0.000 1.142 1058 N HN 0.597 nan 8.380 nan 0.000 0.514 1059 C N 2.691 121.771 119.300 -0.368 0.000 2.985 1059 C HA 0.378 4.838 4.460 0.000 0.000 0.314 1059 C C 1.395 176.249 174.990 -0.227 0.000 1.215 1059 C CA -0.601 58.125 59.018 -0.486 0.000 1.414 1059 C CB 0.583 27.698 27.740 -1.043 0.000 1.842 1059 C HN 0.930 nan 8.230 nan 0.000 0.477 1060 H N 0.752 119.646 119.070 -0.294 0.000 2.521 1060 H HA 0.093 4.649 4.556 0.000 0.000 0.286 1060 H C 0.961 176.057 175.328 -0.386 0.000 1.034 1060 H CA 2.034 57.878 56.048 -0.341 0.000 1.278 1060 H CB -0.007 29.492 29.762 -0.439 0.000 1.386 1060 H HN 0.822 nan 8.280 nan 0.000 0.567 1061 H N -1.184 117.838 119.070 -0.081 0.000 2.487 1061 H HA 0.359 4.915 4.556 0.000 0.000 0.290 1061 H C -0.734 174.565 175.328 -0.049 0.000 1.081 1061 H CA -0.253 55.755 56.048 -0.065 0.000 1.116 1061 H CB 0.716 30.506 29.762 0.046 0.000 1.560 1061 H HN 0.015 nan 8.280 nan 0.000 0.548 1062 V N 1.395 121.306 119.914 -0.004 0.000 2.588 1062 V HA 0.139 4.260 4.120 0.000 0.000 0.304 1062 V C 0.036 176.164 176.094 0.057 0.000 1.042 1062 V CA -1.109 61.242 62.300 0.086 0.000 0.877 1062 V CB 2.529 34.383 31.823 0.053 0.000 0.996 1062 V HN 0.000 nan 8.190 nan 0.000 0.425 1063 V N 5.200 125.193 119.914 0.133 0.000 2.540 1063 V HA 0.141 4.262 4.120 0.000 0.000 0.297 1063 V C 0.693 176.836 176.094 0.083 0.000 1.024 1063 V CA 0.192 62.544 62.300 0.086 0.000 1.105 1063 V CB 0.397 32.285 31.823 0.109 0.000 0.938 1063 V HN 0.804 nan 8.190 nan 0.000 0.482 1064 R N 4.104 124.625 120.500 0.034 0.000 2.410 1064 R HA 0.513 4.853 4.340 0.000 0.000 0.288 1064 R C -0.533 175.787 176.300 0.033 0.000 1.051 1064 R CA -0.690 55.428 56.100 0.031 0.000 1.021 1064 R CB 0.922 31.236 30.300 0.023 0.000 1.032 1064 R HN 0.720 nan 8.270 nan 0.000 0.481 1065 L N 5.933 127.167 121.223 0.018 0.000 2.265 1065 L HA 0.233 4.573 4.340 0.000 0.000 0.288 1065 L C 0.041 176.969 176.870 0.096 0.000 1.058 1065 L CA -0.244 54.601 54.840 0.009 0.000 0.809 1065 L CB 0.857 42.855 42.059 -0.101 0.000 1.179 1065 L HN 0.810 nan 8.230 nan 0.000 0.429 1066 L N 5.259 126.540 121.223 0.097 0.000 2.590 1066 L HA 0.510 4.851 4.340 0.000 0.000 0.227 1066 L C 0.814 177.787 176.870 0.172 0.000 1.099 1066 L CA 0.303 55.218 54.840 0.125 0.000 0.872 1066 L CB 0.061 42.163 42.059 0.072 0.000 1.088 1066 L HN 0.818 nan 8.230 nan 0.000 0.479 1067 G N -0.670 108.235 108.800 0.175 0.000 2.321 1067 G HA2 0.373 4.334 3.960 0.000 0.000 0.298 1067 G HA3 0.373 4.334 3.960 0.000 0.000 0.298 1067 G C -1.919 173.051 174.900 0.117 0.000 1.385 1067 G CA -0.624 44.601 45.100 0.208 0.000 0.856 1067 G HN -0.295 nan 8.290 nan 0.000 0.584 1068 V N -0.656 119.332 119.914 0.123 0.000 2.823 1068 V HA 0.742 4.862 4.120 0.000 0.000 0.312 1068 V C -0.191 175.948 176.094 0.076 0.000 1.072 1068 V CA -0.849 61.493 62.300 0.071 0.000 0.937 1068 V CB 2.019 33.858 31.823 0.027 0.000 1.013 1068 V HN 0.866 nan 8.190 nan 0.000 0.430 1069 V N 2.622 122.577 119.914 0.069 0.000 2.326 1069 V HA 0.309 4.429 4.120 0.000 0.000 0.281 1069 V C 0.841 176.961 176.094 0.043 0.000 1.015 1069 V CA 0.254 62.584 62.300 0.051 0.000 0.823 1069 V CB 1.119 32.968 31.823 0.043 0.000 1.009 1069 V HN 1.064 nan 8.190 nan 0.000 0.436 1070 S N 2.635 118.352 115.700 0.028 0.000 2.511 1070 S HA 0.184 4.654 4.470 0.000 0.000 0.214 1070 S C 0.559 175.152 174.600 -0.011 0.000 0.997 1070 S CA -0.310 57.895 58.200 0.009 0.000 0.908 1070 S CB 0.239 63.437 63.200 -0.003 0.000 0.803 1070 S HN 0.619 nan 8.310 nan 0.000 0.504 1071 Q N 1.937 121.735 119.800 -0.003 0.000 2.303 1071 Q HA 0.617 4.957 4.340 0.000 0.000 0.257 1071 Q C 0.541 176.539 176.000 -0.004 0.000 0.941 1071 Q CA 0.488 56.287 55.803 -0.006 0.000 0.931 1071 Q CB 0.763 29.501 28.738 0.001 0.000 1.215 1071 Q HN 0.576 nan 8.270 nan 0.000 0.437 1072 G N 2.503 111.299 108.800 -0.007 0.000 2.758 1072 G HA2 -0.162 3.799 3.960 0.000 0.000 0.686 1072 G HA3 -0.162 3.799 3.960 0.000 0.000 0.686 1072 G C -0.921 173.972 174.900 -0.012 0.000 1.389 1072 G CA -0.854 44.243 45.100 -0.006 0.000 0.845 1072 G HN 0.445 nan 8.290 nan 0.000 0.572 1073 Q N 0.331 120.123 119.800 -0.014 0.000 2.230 1073 Q HA 0.571 4.911 4.340 0.000 0.000 0.253 1073 Q C -1.778 174.207 176.000 -0.024 0.000 0.919 1073 Q CA -1.215 54.575 55.803 -0.021 0.000 0.908 1073 Q CB 1.398 30.124 28.738 -0.020 0.000 1.245 1073 Q HN 0.525 nan 8.270 nan 0.000 0.437 1074 P HA 0.269 nan 4.420 nan 0.000 0.280 1074 P C -0.792 176.490 177.300 -0.030 0.000 1.272 1074 P CA -0.538 62.539 63.100 -0.038 0.000 0.819 1074 P CB 0.511 32.187 31.700 -0.039 0.000 1.122 1075 T N 1.172 115.695 114.554 -0.052 0.000 2.834 1075 T HA 0.307 4.658 4.350 0.000 0.000 0.298 1075 T C 0.103 174.827 174.700 0.040 0.000 0.966 1075 T CA -0.037 62.060 62.100 -0.005 0.000 1.141 1075 T CB -0.337 68.526 68.868 -0.007 0.000 0.905 1075 T HN 0.138 nan 8.240 nan 0.000 0.535 1076 L N 3.338 124.624 121.223 0.105 0.000 2.334 1076 L HA 0.665 5.005 4.340 0.000 0.000 0.276 1076 L C -0.380 176.615 176.870 0.207 0.000 1.014 1076 L CA -1.197 53.733 54.840 0.151 0.000 0.815 1076 L CB 1.784 43.899 42.059 0.092 0.000 1.268 1076 L HN 0.313 nan 8.230 nan 0.000 0.428 1077 V N 3.793 123.864 119.914 0.261 0.000 2.448 1077 V HA 0.411 4.531 4.120 0.000 0.000 0.295 1077 V C -0.215 175.941 176.094 0.103 0.000 1.025 1077 V CA -0.414 61.961 62.300 0.125 0.000 0.859 1077 V CB 2.119 33.936 31.823 -0.009 0.000 0.988 1077 V HN 0.440 nan 8.190 nan 0.000 0.431 1078 I N 6.510 127.121 120.570 0.069 0.000 2.321 1078 I HA 0.474 4.644 4.170 0.000 0.000 0.291 1078 I C 0.101 176.251 176.117 0.054 0.000 0.998 1078 I CA 0.139 61.481 61.300 0.069 0.000 1.227 1078 I CB 1.258 39.298 38.000 0.067 0.000 1.368 1078 I HN 0.366 nan 8.210 nan 0.000 0.466 1079 M N 4.270 123.904 119.600 0.056 0.000 2.598 1079 M HA 0.358 4.838 4.480 0.000 0.000 0.317 1079 M C 0.023 176.349 176.300 0.042 0.000 1.179 1079 M CA -0.780 54.548 55.300 0.047 0.000 0.936 1079 M CB 1.555 34.186 32.600 0.052 0.000 1.713 1079 M HN 0.568 nan 8.290 nan 0.000 0.460 1080 E N 1.832 122.052 120.200 0.034 0.000 2.480 1080 E HA 0.085 4.435 4.350 0.000 0.000 0.258 1080 E C -1.274 175.338 176.600 0.019 0.000 0.984 1080 E CA -0.306 56.108 56.400 0.022 0.000 0.930 1080 E CB 0.645 30.351 29.700 0.011 0.000 0.936 1080 E HN 0.478 nan 8.360 nan 0.000 0.466 1081 L N 5.645 126.876 121.223 0.014 0.000 2.319 1081 L HA 0.186 4.526 4.340 0.000 0.000 0.280 1081 L C -0.562 176.302 176.870 -0.009 0.000 1.099 1081 L CA 0.062 54.908 54.840 0.010 0.000 0.828 1081 L CB 1.061 43.127 42.059 0.012 0.000 1.150 1081 L HN 0.647 nan 8.230 nan 0.000 0.442 1082 M N 5.050 124.642 119.600 -0.012 0.000 2.103 1082 M HA 0.184 4.664 4.480 0.000 0.000 0.350 1082 M C 1.257 177.533 176.300 -0.040 0.000 1.100 1082 M CA -0.208 55.072 55.300 -0.033 0.000 1.042 1082 M CB 0.366 32.950 32.600 -0.028 0.000 1.368 1082 M HN 0.761 nan 8.290 nan 0.000 0.404 1083 T N -0.806 113.715 114.554 -0.056 0.000 3.025 1083 T HA -0.043 4.307 4.350 0.000 0.000 0.270 1083 T C 1.327 175.993 174.700 -0.057 0.000 1.126 1083 T CA 0.996 63.066 62.100 -0.051 0.000 1.105 1083 T CB -0.016 68.815 68.868 -0.062 0.000 0.884 1083 T HN 0.602 nan 8.240 nan 0.000 0.522 1084 R N 0.862 121.312 120.500 -0.083 0.000 2.432 1084 R HA 0.444 4.785 4.340 0.000 0.000 0.260 1084 R C 1.375 177.677 176.300 0.003 0.000 0.935 1084 R CA 0.177 56.240 56.100 -0.061 0.000 1.080 1084 R CB 0.301 30.494 30.300 -0.179 0.000 1.155 1084 R HN 0.549 nan 8.270 nan 0.000 0.531 1085 G N 2.385 111.183 108.800 -0.003 0.000 2.693 1085 G HA2 -0.319 3.641 3.960 0.000 0.000 0.226 1085 G HA3 -0.319 3.641 3.960 0.000 0.000 0.226 1085 G C -0.783 174.132 174.900 0.026 0.000 1.354 1085 G CA -0.220 44.893 45.100 0.022 0.000 0.873 1085 G HN 0.500 nan 8.290 nan 0.000 0.562 1086 D N -0.570 119.854 120.400 0.039 0.000 2.372 1086 D HA 0.393 5.034 4.640 0.000 0.000 0.243 1086 D C 1.583 177.932 176.300 0.081 0.000 1.121 1086 D CA -0.234 53.789 54.000 0.038 0.000 0.898 1086 D CB 0.937 41.751 40.800 0.024 0.000 1.202 1086 D HN 0.676 nan 8.370 nan 0.000 0.428 1087 L N 1.688 122.954 121.223 0.071 0.000 2.043 1087 L HA -0.204 4.136 4.340 0.000 0.000 0.212 1087 L C 2.107 179.081 176.870 0.173 0.000 1.075 1087 L CA 1.930 56.844 54.840 0.123 0.000 0.752 1087 L CB -0.776 41.335 42.059 0.086 0.000 0.891 1087 L HN 0.692 nan 8.230 nan 0.000 0.432 1088 K N -1.239 119.233 120.400 0.120 0.000 2.026 1088 K HA -0.157 4.163 4.320 0.000 0.000 0.208 1088 K C 2.076 178.742 176.600 0.110 0.000 1.048 1088 K CA 1.702 58.060 56.287 0.120 0.000 0.929 1088 K CB -0.102 32.458 32.500 0.100 0.000 0.713 1088 K HN 0.393 nan 8.250 nan 0.000 0.439 1089 S N 0.188 115.950 115.700 0.102 0.000 2.356 1089 S HA -0.186 4.284 4.470 0.000 0.000 0.223 1089 S C 1.639 176.301 174.600 0.103 0.000 1.032 1089 S CA 1.434 59.685 58.200 0.086 0.000 1.005 1089 S CB -0.570 62.675 63.200 0.076 0.000 0.867 1089 S HN 0.448 nan 8.310 nan 0.000 0.449 1090 Y N 2.378 122.702 120.300 0.041 0.000 2.081 1090 Y HA -0.196 4.354 4.550 0.000 0.000 0.280 1090 Y C 1.943 177.874 175.900 0.052 0.000 1.163 1090 Y CA 1.492 59.624 58.100 0.054 0.000 1.135 1090 Y CB -0.593 37.910 38.460 0.072 0.000 0.970 1090 Y HN 0.134 nan 8.280 nan 0.000 0.498 1091 L N -0.021 121.241 121.223 0.065 0.000 2.079 1091 L HA -0.270 4.070 4.340 0.000 0.000 0.210 1091 L C 2.568 179.374 176.870 -0.108 0.000 1.081 1091 L CA 1.761 56.576 54.840 -0.042 0.000 0.752 1091 L CB -0.463 41.640 42.059 0.073 0.000 0.896 1091 L HN 0.225 nan 8.230 nan 0.000 0.433 1092 R N -0.581 119.887 120.500 -0.053 0.000 2.153 1092 R HA -0.079 4.261 4.340 0.000 0.000 0.218 1092 R C 2.503 178.753 176.300 -0.083 0.000 1.072 1092 R CA 1.277 57.347 56.100 -0.049 0.000 0.990 1092 R CB -0.282 30.016 30.300 -0.004 0.000 0.889 1092 R HN 0.444 nan 8.270 nan 0.000 0.452 1093 S N 0.811 116.437 115.700 -0.122 0.000 2.447 1093 S HA -0.021 4.449 4.470 0.000 0.000 0.233 1093 S C 1.895 176.394 174.600 -0.169 0.000 1.006 1093 S CA 0.666 58.790 58.200 -0.126 0.000 0.957 1093 S CB -0.204 62.927 63.200 -0.114 0.000 0.773 1093 S HN 0.236 nan 8.310 nan 0.000 0.507 1094 L N 0.358 121.435 121.223 -0.245 0.000 2.395 1094 L HA 0.143 4.484 4.340 0.000 0.000 0.218 1094 L C 1.301 178.094 176.870 -0.127 0.000 1.130 1094 L CA 0.260 54.971 54.840 -0.214 0.000 0.826 1094 L CB -0.342 41.559 42.059 -0.263 0.000 0.941 1094 L HN 0.176 nan 8.230 nan 0.000 0.451 1095 R N 1.688 122.125 120.500 -0.106 0.000 2.484 1095 R HA 0.108 4.448 4.340 0.000 0.000 0.293 1095 R C -2.062 174.202 176.300 -0.061 0.000 1.023 1095 R CA -1.535 54.520 56.100 -0.076 0.000 1.037 1095 R CB -0.095 30.167 30.300 -0.062 0.000 0.951 1095 R HN -0.066 nan 8.270 nan 0.000 0.418 1096 P HA 0.108 nan 4.420 nan 0.000 0.269 1096 P C -0.656 176.623 177.300 -0.035 0.000 1.252 1096 P CA 0.303 63.377 63.100 -0.043 0.000 0.780 1096 P CB 0.838 32.513 31.700 -0.041 0.000 0.829 1106 P HA 0.601 nan 4.420 nan 0.000 0.277 1106 P C -2.601 174.656 177.300 -0.073 0.000 1.276 1106 P CA -0.899 62.144 63.100 -0.095 0.000 0.788 1106 P CB -0.462 31.178 31.700 -0.099 0.000 1.114 1107 P HA 0.103 nan 4.420 nan 0.000 0.277 1107 P C -0.099 177.173 177.300 -0.046 0.000 1.271 1107 P CA -0.351 62.721 63.100 -0.047 0.000 0.795 1107 P CB 0.010 31.695 31.700 -0.024 0.000 1.101 1108 S N 0.111 115.785 115.700 -0.044 0.000 2.573 1108 S HA -0.009 4.461 4.470 0.000 0.000 0.277 1108 S C 1.174 175.751 174.600 -0.038 0.000 1.346 1108 S CA -0.472 57.703 58.200 -0.041 0.000 1.034 1108 S CB -0.126 63.050 63.200 -0.040 0.000 0.879 1108 S HN 0.385 nan 8.310 nan 0.000 0.528 1109 L N 2.796 123.998 121.223 -0.036 0.000 2.081 1109 L HA -0.098 4.242 4.340 0.000 0.000 0.212 1109 L C 2.489 179.340 176.870 -0.033 0.000 1.080 1109 L CA 2.108 56.928 54.840 -0.034 0.000 0.754 1109 L CB -1.406 40.635 42.059 -0.030 0.000 0.893 1109 L HN 0.889 nan 8.230 nan 0.000 0.433 1110 S N -0.630 115.051 115.700 -0.032 0.000 2.356 1110 S HA -0.157 4.313 4.470 0.000 0.000 0.223 1110 S C 1.897 176.478 174.600 -0.031 0.000 1.032 1110 S CA 1.175 59.356 58.200 -0.032 0.000 1.005 1110 S CB -0.257 62.925 63.200 -0.030 0.000 0.867 1110 S HN 0.401 nan 8.310 nan 0.000 0.449 1111 K N 1.333 121.714 120.400 -0.032 0.000 2.032 1111 K HA 0.016 4.337 4.320 0.000 0.000 0.209 1111 K C 2.090 178.683 176.600 -0.012 0.000 1.048 1111 K CA 1.260 57.532 56.287 -0.026 0.000 0.927 1111 K CB -0.636 31.845 32.500 -0.031 0.000 0.712 1111 K HN 0.437 nan 8.250 nan 0.000 0.441 1112 M N 0.340 119.929 119.600 -0.018 0.000 2.117 1112 M HA -0.129 4.351 4.480 0.000 0.000 0.262 1112 M C 2.093 178.379 176.300 -0.024 0.000 1.065 1112 M CA 1.158 56.446 55.300 -0.019 0.000 1.114 1112 M CB -0.347 32.233 32.600 -0.033 0.000 1.361 1112 M HN -0.024 nan 8.290 nan 0.000 0.408 1113 I N 0.433 120.984 120.570 -0.032 0.000 2.208 1113 I HA -0.277 3.893 4.170 0.000 0.000 0.245 1113 I C 2.493 178.580 176.117 -0.050 0.000 1.097 1113 I CA 1.691 62.967 61.300 -0.041 0.000 1.363 1113 I CB -1.325 36.644 38.000 -0.052 0.000 1.051 1113 I HN 0.363 nan 8.210 nan 0.000 0.413 1114 Q N 0.822 120.598 119.800 -0.041 0.000 2.020 1114 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 1114 Q C 2.332 178.327 176.000 -0.008 0.000 0.982 1114 Q CA 1.850 57.632 55.803 -0.034 0.000 0.838 1114 Q CB -0.260 28.478 28.738 -0.001 0.000 0.899 1114 Q HN 0.413 nan 8.270 nan 0.000 0.423 1115 M N -0.674 118.934 119.600 0.013 0.000 2.082 1115 M HA -0.225 4.255 4.480 0.000 0.000 0.258 1115 M C 2.161 178.486 176.300 0.043 0.000 1.069 1115 M CA 1.759 57.078 55.300 0.032 0.000 1.102 1115 M CB -0.495 32.125 32.600 0.034 0.000 1.336 1115 M HN 0.348 nan 8.290 nan 0.000 0.404 1116 A N 0.342 123.186 122.820 0.040 0.000 1.898 1116 A HA -0.027 4.294 4.320 0.000 0.000 0.216 1116 A C 2.357 180.062 177.584 0.202 0.000 1.181 1116 A CA 1.833 53.951 52.037 0.135 0.000 0.620 1116 A CB -1.436 17.617 19.000 0.088 0.000 0.819 1116 A HN 0.563 nan 8.150 nan 0.000 0.442 1117 G N -0.640 108.172 108.800 0.019 0.000 2.422 1117 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 1117 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 1117 G C 1.420 176.270 174.900 -0.083 0.000 1.140 1117 G CA 0.986 46.021 45.100 -0.107 0.000 0.775 1117 G HN 0.644 nan 8.290 nan 0.000 0.545 1118 E N -0.070 120.075 120.200 -0.091 0.000 2.072 1118 E HA 0.022 4.372 4.350 0.000 0.000 0.190 1118 E C 2.467 178.967 176.600 -0.166 0.000 0.982 1118 E CA 0.386 56.613 56.400 -0.288 0.000 0.803 1118 E CB -0.082 29.545 29.700 -0.122 0.000 0.755 1118 E HN 0.449 nan 8.360 nan 0.000 0.453 1119 I N 1.206 121.792 120.570 0.027 0.000 2.179 1119 I HA -0.287 3.884 4.170 0.000 0.000 0.242 1119 I C 2.535 178.657 176.117 0.009 0.000 1.088 1119 I CA 1.072 62.428 61.300 0.093 0.000 1.357 1119 I CB -0.327 37.829 38.000 0.261 0.000 1.051 1119 I HN 0.096 nan 8.210 nan 0.000 0.409 1120 A N 0.398 123.253 122.820 0.058 0.000 1.908 1120 A HA -0.323 3.998 4.320 0.000 0.000 0.218 1120 A C 1.985 179.482 177.584 -0.145 0.000 1.181 1120 A CA 2.421 54.343 52.037 -0.193 0.000 0.627 1120 A CB -0.858 18.078 19.000 -0.106 0.000 0.818 1120 A HN 0.493 nan 8.150 nan 0.000 0.445 1121 D N -0.843 119.571 120.400 0.023 0.000 2.104 1121 D HA -0.068 4.573 4.640 0.000 0.000 0.194 1121 D C 1.981 178.353 176.300 0.121 0.000 0.994 1121 D CA 1.840 55.952 54.000 0.187 0.000 0.830 1121 D CB -0.435 40.545 40.800 0.299 0.000 0.959 1121 D HN 0.309 nan 8.370 nan 0.000 0.452 1122 G N -0.036 108.783 108.800 0.033 0.000 2.418 1122 G HA2 -0.233 3.728 3.960 0.000 0.000 0.217 1122 G HA3 -0.233 3.728 3.960 0.000 0.000 0.217 1122 G C 1.519 176.340 174.900 -0.132 0.000 1.158 1122 G CA 0.889 46.000 45.100 0.019 0.000 0.771 1122 G HN 0.183 nan 8.290 nan 0.000 0.545 1123 M N 1.205 120.569 119.600 -0.392 0.000 2.159 1123 M HA 0.072 4.553 4.480 0.000 0.000 0.263 1123 M C 2.970 178.947 176.300 -0.538 0.000 1.063 1123 M CA 1.145 56.011 55.300 -0.724 0.000 1.110 1123 M CB -1.257 30.230 32.600 -1.855 0.000 1.374 1123 M HN 0.318 nan 8.290 nan 0.000 0.411 1124 A N -0.837 121.781 122.820 -0.337 0.000 1.930 1124 A HA -0.210 4.110 4.320 0.000 0.000 0.217 1124 A C 2.150 179.562 177.584 -0.286 0.000 1.175 1124 A CA 1.315 53.337 52.037 -0.025 0.000 0.627 1124 A CB -1.074 18.098 19.000 0.285 0.000 0.815 1124 A HN 0.509 nan 8.150 nan 0.000 0.443 1125 Y N 0.491 120.401 120.300 -0.651 0.000 2.145 1125 Y HA -0.167 4.383 4.550 0.000 0.000 0.286 1125 Y C 1.949 177.492 175.900 -0.595 0.000 1.145 1125 Y CA 1.800 59.223 58.100 -1.128 0.000 1.148 1125 Y CB -0.351 37.673 38.460 -0.728 0.000 0.981 1125 Y HN 0.213 nan 8.280 nan 0.000 0.507 1126 L N 0.311 121.290 121.223 -0.407 0.000 1.989 1126 L HA -0.308 4.032 4.340 0.000 0.000 0.211 1126 L C 2.281 179.036 176.870 -0.191 0.000 1.071 1126 L CA 1.783 56.410 54.840 -0.356 0.000 0.749 1126 L CB -0.711 41.247 42.059 -0.168 0.000 0.890 1126 L HN 0.323 nan 8.230 nan 0.000 0.431 1127 N N -0.174 118.449 118.700 -0.129 0.000 2.309 1127 N HA -0.113 4.627 4.740 0.000 0.000 0.182 1127 N C 1.772 177.240 175.510 -0.070 0.000 1.018 1127 N CA 1.299 54.328 53.050 -0.035 0.000 0.876 1127 N CB -0.040 38.479 38.487 0.053 0.000 0.972 1127 N HN 0.318 nan 8.380 nan 0.000 0.434 1128 A N 1.143 123.872 122.820 -0.152 0.000 1.969 1128 A HA -0.045 4.275 4.320 0.000 0.000 0.218 1128 A C 1.708 179.215 177.584 -0.128 0.000 1.169 1128 A CA 0.986 52.967 52.037 -0.094 0.000 0.635 1128 A CB -0.183 18.789 19.000 -0.048 0.000 0.810 1128 A HN 0.229 nan 8.150 nan 0.000 0.445 1129 N N 0.026 118.591 118.700 -0.225 0.000 2.370 1129 N HA 0.005 4.745 4.740 0.000 0.000 0.198 1129 N C -0.517 174.969 175.510 -0.041 0.000 1.156 1129 N CA 0.194 53.185 53.050 -0.099 0.000 0.839 1129 N CB 0.197 38.611 38.487 -0.122 0.000 0.989 1129 N HN 0.148 nan 8.380 nan 0.000 0.468 1130 K N 0.200 120.546 120.400 -0.091 0.000 3.239 1130 K HA -0.166 4.154 4.320 0.000 0.000 0.270 1130 K C -1.150 175.245 176.600 -0.342 0.000 1.049 1130 K CA 0.665 56.843 56.287 -0.181 0.000 0.769 1130 K CB -2.016 30.353 32.500 -0.219 0.000 1.305 1130 K HN 0.165 nan 8.250 nan 0.000 0.469 1131 F N -0.505 119.422 119.950 -0.039 0.000 2.540 1131 F HA 0.398 4.925 4.527 0.000 0.000 0.317 1131 F C 0.677 176.494 175.800 0.028 0.000 1.104 1131 F CA -1.137 56.869 58.000 0.011 0.000 0.913 1131 F CB 1.664 40.685 39.000 0.036 0.000 1.170 1131 F HN -0.086 nan 8.300 nan 0.000 0.450 1132 V N 0.821 120.878 119.914 0.239 0.000 2.439 1132 V HA 0.293 4.414 4.120 0.000 0.000 0.282 1132 V C 0.851 177.082 176.094 0.230 0.000 1.039 1132 V CA -0.482 61.946 62.300 0.213 0.000 0.913 1132 V CB 1.184 33.112 31.823 0.174 0.000 0.983 1132 V HN 0.945 nan 8.190 nan 0.000 0.460 1133 H N 4.834 123.990 119.070 0.143 0.000 2.307 1133 H HA 0.005 4.561 4.556 0.000 0.000 0.303 1133 H C 1.512 176.869 175.328 0.049 0.000 1.073 1133 H CA 2.277 58.378 56.048 0.089 0.000 1.338 1133 H CB 0.322 30.100 29.762 0.027 0.000 1.389 1133 H HN 0.853 nan 8.280 nan 0.000 0.503 1134 R N -0.834 119.828 120.500 0.271 0.000 3.785 1134 R HA -0.176 4.165 4.340 0.000 0.000 0.476 1134 R C -0.335 176.092 176.300 0.211 0.000 0.905 1134 R CA 1.240 57.434 56.100 0.156 0.000 1.412 1134 R CB -1.532 28.632 30.300 -0.227 0.000 2.077 1134 R HN 0.336 nan 8.270 nan 0.000 0.504 1135 D N 0.271 120.903 120.400 0.388 0.000 2.865 1135 D HA 0.141 4.781 4.640 0.000 0.000 0.347 1135 D C -0.955 175.464 176.300 0.199 0.000 1.498 1135 D CA -0.411 53.740 54.000 0.252 0.000 0.787 1135 D CB 0.363 41.212 40.800 0.082 0.000 1.190 1135 D HN 0.026 nan 8.370 nan 0.000 0.445 1136 L N 1.725 123.027 121.223 0.131 0.000 2.477 1136 L HA 0.580 4.921 4.340 0.000 0.000 0.272 1136 L C -0.452 176.413 176.870 -0.008 0.000 1.157 1136 L CA 0.268 55.057 54.840 -0.085 0.000 0.889 1136 L CB 0.130 42.214 42.059 0.043 0.000 1.158 1136 L HN 0.181 nan 8.230 nan 0.000 0.473 1137 A N 3.999 126.739 122.820 -0.134 0.000 2.608 1137 A HA 0.688 5.009 4.320 0.000 0.000 0.292 1137 A C 0.571 178.111 177.584 -0.073 0.000 1.066 1137 A CA -0.175 51.735 52.037 -0.212 0.000 0.676 1137 A CB 0.442 18.879 19.000 -0.939 0.000 1.277 1137 A HN 1.034 nan 8.150 nan 0.000 0.413 1138 A N 0.848 123.714 122.820 0.075 0.000 1.948 1138 A HA -0.192 4.128 4.320 0.000 0.000 0.220 1138 A C 1.942 179.536 177.584 0.017 0.000 1.177 1138 A CA 2.173 54.261 52.037 0.086 0.000 0.636 1138 A CB -0.551 18.551 19.000 0.170 0.000 0.815 1138 A HN 1.124 nan 8.150 nan 0.000 0.449 1139 R N -1.099 119.373 120.500 -0.046 0.000 2.280 1139 R HA 0.011 4.351 4.340 0.000 0.000 0.207 1139 R C 0.237 176.494 176.300 -0.071 0.000 1.043 1139 R CA 1.367 57.434 56.100 -0.055 0.000 1.006 1139 R CB -0.322 29.921 30.300 -0.096 0.000 0.885 1139 R HN 0.359 nan 8.270 nan 0.000 0.467 1140 N N -0.006 118.637 118.700 -0.096 0.000 2.205 1140 N HA 0.107 4.847 4.740 0.000 0.000 0.201 1140 N C -0.609 174.851 175.510 -0.084 0.000 1.128 1140 N CA -0.066 52.930 53.050 -0.090 0.000 0.867 1140 N CB 0.514 38.942 38.487 -0.097 0.000 0.996 1140 N HN 0.142 nan 8.380 nan 0.000 0.503 1141 C N 0.991 120.259 119.300 -0.054 0.000 2.358 1141 C HA 0.593 5.053 4.460 0.000 0.000 0.354 1141 C C 0.287 175.271 174.990 -0.010 0.000 1.183 1141 C CA -0.786 58.212 59.018 -0.033 0.000 2.150 1141 C CB 1.108 28.842 27.740 -0.010 0.000 2.361 1141 C HN 0.183 nan 8.230 nan 0.000 0.535 1142 M N 1.579 121.174 119.600 -0.008 0.000 2.602 1142 M HA 0.537 5.018 4.480 0.000 0.000 0.312 1142 M C -1.054 175.224 176.300 -0.036 0.000 1.181 1142 M CA -0.488 54.804 55.300 -0.013 0.000 0.910 1142 M CB 1.747 34.343 32.600 -0.007 0.000 1.723 1142 M HN 0.331 nan 8.290 nan 0.000 0.459 1143 V N 1.442 121.313 119.914 -0.072 0.000 2.378 1143 V HA 0.647 4.767 4.120 0.000 0.000 0.288 1143 V C 0.409 176.411 176.094 -0.153 0.000 1.016 1143 V CA -0.911 61.303 62.300 -0.144 0.000 0.840 1143 V CB 1.076 32.720 31.823 -0.299 0.000 0.994 1143 V HN 1.024 nan 8.190 nan 0.000 0.431 1144 A N 3.024 125.763 122.820 -0.135 0.000 2.267 1144 A HA 0.446 4.766 4.320 0.000 0.000 0.271 1144 A C 1.374 178.822 177.584 -0.228 0.000 1.131 1144 A CA 0.246 52.203 52.037 -0.133 0.000 0.818 1144 A CB 0.178 19.128 19.000 -0.084 0.000 1.118 1144 A HN 0.930 nan 8.150 nan 0.000 0.501 1145 E N 0.008 120.098 120.200 -0.184 0.000 2.118 1145 E HA -0.211 4.139 4.350 0.000 0.000 0.195 1145 E C 0.897 177.296 176.600 -0.335 0.000 0.992 1145 E CA 2.045 58.303 56.400 -0.237 0.000 0.804 1145 E CB -0.097 29.530 29.700 -0.122 0.000 0.741 1145 E HN 0.695 nan 8.360 nan 0.000 0.458 1146 D N -1.421 118.875 120.400 -0.172 0.000 2.358 1146 D HA -0.052 4.588 4.640 0.000 0.000 0.224 1146 D C -0.131 176.244 176.300 0.125 0.000 1.123 1146 D CA -0.300 53.686 54.000 -0.024 0.000 0.833 1146 D CB -0.559 40.287 40.800 0.076 0.000 0.946 1146 D HN 0.264 nan 8.370 nan 0.000 0.505 1147 F N -1.191 118.735 119.950 -0.040 0.000 2.656 1147 F HA -0.235 4.292 4.527 0.000 0.000 0.381 1147 F C 0.415 176.176 175.800 -0.065 0.000 0.603 1147 F CA 0.723 58.664 58.000 -0.098 0.000 1.335 1147 F CB -2.522 36.440 39.000 -0.063 0.000 1.836 1147 F HN -0.092 nan 8.300 nan 0.000 0.290 1148 T N 2.107 116.727 114.554 0.110 0.000 2.888 1148 T HA 0.430 4.780 4.350 0.000 0.000 0.301 1148 T C 0.553 175.290 174.700 0.061 0.000 1.001 1148 T CA -0.185 61.990 62.100 0.126 0.000 1.147 1148 T CB 1.188 70.141 68.868 0.142 0.000 0.931 1148 T HN 0.046 nan 8.240 nan 0.000 0.541 1149 V N 5.130 125.095 119.914 0.086 0.000 2.546 1149 V HA 0.417 4.537 4.120 0.000 0.000 0.284 1149 V C 0.371 176.516 176.094 0.085 0.000 1.050 1149 V CA -0.392 61.938 62.300 0.050 0.000 0.981 1149 V CB 1.078 32.927 31.823 0.042 0.000 0.990 1149 V HN 0.773 nan 8.190 nan 0.000 0.474 1150 K N 3.777 124.204 120.400 0.045 0.000 2.480 1150 K HA 0.652 4.973 4.320 0.000 0.000 0.258 1150 K C -1.278 175.340 176.600 0.030 0.000 0.990 1150 K CA -0.942 55.380 56.287 0.058 0.000 0.857 1150 K CB 2.685 35.196 32.500 0.018 0.000 1.384 1150 K HN 0.408 nan 8.250 nan 0.000 0.446 1151 I N 0.919 121.514 120.570 0.041 0.000 2.395 1151 I HA 0.157 4.328 4.170 0.000 0.000 0.289 1151 I C 1.022 177.150 176.117 0.019 0.000 1.023 1151 I CA 0.272 61.551 61.300 -0.035 0.000 1.350 1151 I CB 1.296 39.248 38.000 -0.080 0.000 1.409 1151 I HN 0.959 nan 8.210 nan 0.000 0.507 1152 G N 3.910 112.658 108.800 -0.086 0.000 2.707 1152 G HA2 -0.003 3.957 3.960 0.000 0.000 0.198 1152 G HA3 -0.003 3.957 3.960 0.000 0.000 0.198 1152 G C 0.038 174.938 174.900 0.001 0.000 1.065 1152 G CA 0.049 45.162 45.100 0.021 0.000 0.763 1152 G HN 0.586 nan 8.290 nan 0.000 0.625 1153 D N -0.158 120.134 120.400 -0.181 0.000 2.425 1153 D HA 0.374 5.015 4.640 0.000 0.000 0.240 1153 D C -0.897 175.195 176.300 -0.346 0.000 1.080 1153 D CA -0.669 53.260 54.000 -0.118 0.000 0.836 1153 D CB 1.276 42.036 40.800 -0.067 0.000 1.125 1153 D HN 0.023 nan 8.370 nan 0.000 0.525 1154 F N 1.697 121.626 119.950 -0.035 0.000 2.772 1154 F HA 0.283 4.810 4.527 0.000 0.000 0.302 1154 F C 2.053 177.773 175.800 -0.134 0.000 1.136 1154 F CA -0.608 57.308 58.000 -0.140 0.000 1.322 1154 F CB 1.167 40.168 39.000 0.001 0.000 0.967 1154 F HN 0.526 nan 8.300 nan 0.000 0.513 1155 G N 0.083 108.883 108.800 0.000 0.000 2.470 1155 G HA2 -0.161 3.799 3.960 0.000 0.000 0.220 1155 G HA3 -0.161 3.799 3.960 0.000 0.000 0.220 1155 G C 1.435 176.316 174.900 -0.031 0.000 1.121 1155 G CA 0.712 45.821 45.100 0.014 0.000 0.766 1155 G HN 0.151 nan 8.290 nan 0.000 0.553 1156 M N 1.062 120.597 119.600 -0.108 0.000 2.313 1156 M HA 0.157 4.638 4.480 0.000 0.000 0.273 1156 M C 0.465 176.699 176.300 -0.110 0.000 1.049 1156 M CA 0.163 55.392 55.300 -0.119 0.000 1.004 1156 M CB -0.170 32.340 32.600 -0.150 0.000 1.461 1156 M HN -0.118 nan 8.290 nan 0.000 0.514 1157 T N 2.911 117.424 114.554 -0.069 0.000 2.940 1157 T HA 0.206 4.556 4.350 0.000 0.000 0.309 1157 T C 0.562 175.345 174.700 0.138 0.000 1.056 1157 T CA 0.223 62.353 62.100 0.050 0.000 1.137 1157 T CB 0.917 69.888 68.868 0.172 0.000 0.976 1157 T HN 0.130 nan 8.240 nan 0.000 0.547 1158 R N 1.855 122.474 120.500 0.197 0.000 2.628 1158 R HA 0.318 4.658 4.340 0.000 0.000 0.288 1158 R C -0.934 175.464 176.300 0.164 0.000 0.980 1158 R CA -0.985 55.210 56.100 0.158 0.000 0.891 1158 R CB 1.639 31.964 30.300 0.042 0.000 1.188 1158 R HN 0.631 nan 8.270 nan 0.000 0.450 1159 D N 3.193 123.605 120.400 0.019 0.000 2.383 1159 D HA 0.229 4.869 4.640 0.000 0.000 0.252 1159 D C 0.224 176.401 176.300 -0.205 0.000 1.166 1159 D CA -0.063 53.739 54.000 -0.331 0.000 0.879 1159 D CB 0.479 41.093 40.800 -0.309 0.000 1.164 1159 D HN 0.470 nan 8.370 nan 0.000 0.462 1163 T N -1.517 113.030 114.554 -0.011 0.000 12.566 1163 T HA -0.376 3.974 4.350 0.000 0.000 0.419 1163 T C 0.406 175.109 174.700 0.005 0.000 1.442 1163 T CA 1.936 64.036 62.100 0.001 0.000 2.381 1163 T CB -1.788 67.082 68.868 0.003 0.000 2.842 1163 T HN 0.886 nan 8.240 nan 0.000 0.781 1168 K N 2.655 123.177 120.400 0.203 0.000 2.378 1168 K HA 0.244 4.565 4.320 0.000 0.000 0.288 1168 K C 0.902 177.556 176.600 0.091 0.000 1.057 1168 K CA 0.866 57.242 56.287 0.149 0.000 0.971 1168 K CB 0.974 33.611 32.500 0.228 0.000 0.975 1168 K HN 0.667 nan 8.250 nan 0.000 0.475 1169 G N 2.994 111.829 108.800 0.058 0.000 2.637 1169 G HA2 -0.089 3.871 3.960 0.000 0.000 0.215 1169 G HA3 -0.089 3.871 3.960 0.000 0.000 0.215 1169 G C 0.656 175.579 174.900 0.038 0.000 1.289 1169 G CA 0.800 45.925 45.100 0.041 0.000 0.816 1169 G HN 0.724 nan 8.290 nan 0.000 0.580 1170 G N -0.617 108.204 108.800 0.034 0.000 3.194 1170 G HA2 0.448 4.408 3.960 0.000 0.000 0.160 1170 G HA3 0.448 4.408 3.960 0.000 0.000 0.160 1170 G C -0.453 174.468 174.900 0.034 0.000 1.267 1170 G CA -0.139 44.979 45.100 0.030 0.000 0.962 1170 G HN 0.422 nan 8.290 nan 0.000 0.612 1171 K N 0.288 120.705 120.400 0.027 0.000 2.524 1171 K HA 0.437 4.757 4.320 0.000 0.000 0.279 1171 K C 0.202 176.820 176.600 0.030 0.000 0.993 1171 K CA 0.796 57.099 56.287 0.027 0.000 1.030 1171 K CB 0.139 32.651 32.500 0.019 0.000 0.891 1171 K HN 0.628 nan 8.250 nan 0.000 0.488 1172 G N 2.915 111.739 108.800 0.040 0.000 2.519 1172 G HA2 0.543 4.503 3.960 0.000 0.000 0.307 1172 G HA3 0.543 4.503 3.960 0.000 0.000 0.307 1172 G C -0.554 174.368 174.900 0.036 0.000 1.266 1172 G CA -0.796 44.327 45.100 0.038 0.000 0.970 1172 G HN 0.577 nan 8.290 nan 0.000 0.481 1173 L N 1.100 122.335 121.223 0.020 0.000 3.066 1173 L HA 0.330 4.670 4.340 0.000 0.000 0.265 1173 L C 0.256 177.143 176.870 0.028 0.000 1.232 1173 L CA -0.115 54.736 54.840 0.019 0.000 1.031 1173 L CB 0.043 42.101 42.059 -0.003 0.000 1.379 1173 L HN 0.199 nan 8.230 nan 0.000 0.563 1174 L N 1.333 122.587 121.223 0.053 0.000 2.426 1174 L HA 0.225 4.565 4.340 0.000 0.000 0.271 1174 L C -1.784 175.161 176.870 0.126 0.000 1.169 1174 L CA -1.721 53.168 54.840 0.083 0.000 0.836 1174 L CB 0.068 42.205 42.059 0.130 0.000 1.112 1174 L HN -0.077 nan 8.230 nan 0.000 0.465 1175 P HA 0.029 nan 4.420 nan 0.000 0.271 1175 P C 0.787 178.281 177.300 0.324 0.000 1.220 1175 P CA -0.412 62.832 63.100 0.239 0.000 0.768 1175 P CB 0.768 32.631 31.700 0.272 0.000 0.848 1176 V N 3.573 123.631 119.914 0.239 0.000 2.469 1176 V HA -0.235 3.886 4.120 0.000 0.000 0.251 1176 V C 1.946 178.146 176.094 0.176 0.000 1.064 1176 V CA 1.648 64.043 62.300 0.159 0.000 1.066 1176 V CB -1.153 30.708 31.823 0.064 0.000 0.667 1176 V HN 0.524 nan 8.190 nan 0.000 0.461 1177 R N -1.216 119.437 120.500 0.255 0.000 2.307 1177 R HA -0.001 4.339 4.340 0.000 0.000 0.199 1177 R C 1.545 177.832 176.300 -0.022 0.000 1.000 1177 R CA 0.811 56.934 56.100 0.038 0.000 1.023 1177 R CB -0.076 30.114 30.300 -0.185 0.000 0.908 1177 R HN 0.585 nan 8.270 nan 0.000 0.473 1178 W N -0.174 121.275 121.300 0.249 0.000 3.005 1178 W HA 0.316 4.976 4.660 0.000 0.000 0.374 1178 W C -0.172 176.569 176.519 0.369 0.000 1.076 1178 W CA -0.517 57.025 57.345 0.328 0.000 1.794 1178 W CB 0.351 29.969 29.460 0.264 0.000 1.113 1178 W HN -0.028 nan 8.180 nan 0.000 0.584 1179 M N 1.386 121.215 119.600 0.381 0.000 2.188 1179 M HA 0.120 4.600 4.480 0.000 0.000 0.357 1179 M C 1.058 177.178 176.300 -0.301 0.000 1.204 1179 M CA 0.029 55.412 55.300 0.138 0.000 1.095 1179 M CB 1.447 34.102 32.600 0.090 0.000 1.604 1179 M HN -0.230 nan 8.290 nan 0.000 0.464 1180 S N 3.266 118.606 115.700 -0.601 0.000 2.576 1180 S HA 0.178 4.648 4.470 0.000 0.000 0.272 1180 S C -2.068 171.973 174.600 -0.931 0.000 1.352 1180 S CA -0.962 56.429 58.200 -1.349 0.000 1.021 1180 S CB 0.267 63.034 63.200 -0.722 0.000 0.887 1180 S HN 0.460 nan 8.310 nan 0.000 0.542 1181 P HA -0.176 nan 4.420 nan 0.000 0.216 1181 P C 1.667 178.680 177.300 -0.479 0.000 1.150 1181 P CA 1.535 64.266 63.100 -0.616 0.000 0.843 1181 P CB -0.087 31.240 31.700 -0.623 0.000 0.787 1182 E N -0.584 119.316 120.200 -0.500 0.000 2.152 1182 E HA -0.084 4.266 4.350 0.000 0.000 0.192 1182 E C 1.645 178.021 176.600 -0.373 0.000 0.983 1182 E CA 1.317 57.491 56.400 -0.376 0.000 0.818 1182 E CB -1.085 28.426 29.700 -0.315 0.000 0.758 1182 E HN 0.148 nan 8.360 nan 0.000 0.467 1183 S N 1.324 116.740 115.700 -0.474 0.000 2.371 1183 S HA 0.017 4.487 4.470 0.000 0.000 0.224 1183 S C 2.156 176.541 174.600 -0.358 0.000 1.029 1183 S CA 0.860 58.689 58.200 -0.618 0.000 0.978 1183 S CB -0.244 62.464 63.200 -0.819 0.000 0.833 1183 S HN 0.201 nan 8.310 nan 0.000 0.466 1184 L N 1.195 122.251 121.223 -0.278 0.000 2.141 1184 L HA -0.069 4.272 4.340 0.000 0.000 0.209 1184 L C 2.490 179.277 176.870 -0.138 0.000 1.094 1184 L CA 1.204 55.943 54.840 -0.169 0.000 0.763 1184 L CB -0.342 41.613 42.059 -0.172 0.000 0.908 1184 L HN 0.256 nan 8.230 nan 0.000 0.437 1185 K N -0.423 119.875 120.400 -0.169 0.000 2.098 1185 K HA -0.093 4.227 4.320 0.000 0.000 0.203 1185 K C 0.822 177.361 176.600 -0.102 0.000 1.051 1185 K CA 1.400 57.613 56.287 -0.123 0.000 0.957 1185 K CB 0.339 32.759 32.500 -0.133 0.000 0.738 1185 K HN 0.225 nan 8.250 nan 0.000 0.447 1186 D N -1.585 118.737 120.400 -0.130 0.000 2.520 1186 D HA 0.123 4.763 4.640 0.000 0.000 0.223 1186 D C 0.265 176.515 176.300 -0.083 0.000 1.186 1186 D CA 0.585 54.529 54.000 -0.093 0.000 0.821 1186 D CB 1.276 42.021 40.800 -0.091 0.000 1.072 1186 D HN 0.414 nan 8.370 nan 0.000 0.518 1187 G N 1.579 110.301 108.800 -0.129 0.000 2.221 1187 G HA2 -0.266 3.695 3.960 0.000 0.000 0.265 1187 G HA3 -0.266 3.695 3.960 0.000 0.000 0.265 1187 G C 0.211 175.062 174.900 -0.081 0.000 1.041 1187 G CA 0.233 45.298 45.100 -0.059 0.000 0.807 1187 G HN 0.280 nan 8.290 nan 0.000 0.502 1188 V N 0.130 119.863 119.914 -0.301 0.000 2.472 1188 V HA 0.783 4.903 4.120 0.000 0.000 0.290 1188 V C -0.155 175.676 176.094 -0.438 0.000 1.037 1188 V CA -0.510 61.680 62.300 -0.183 0.000 0.908 1188 V CB 1.300 33.058 31.823 -0.108 0.000 0.985 1188 V HN 0.241 nan 8.190 nan 0.000 0.454 1189 F N 2.859 122.828 119.950 0.032 0.000 2.518 1189 F HA 0.700 5.227 4.527 0.000 0.000 0.323 1189 F C 0.466 176.294 175.800 0.047 0.000 1.129 1189 F CA -0.466 57.566 58.000 0.052 0.000 0.920 1189 F CB 2.235 41.274 39.000 0.065 0.000 1.160 1189 F HN 0.590 nan 8.300 nan 0.000 0.440 1190 T N -2.729 111.937 114.554 0.187 0.000 2.693 1190 T HA 0.245 4.595 4.350 0.000 0.000 0.278 1190 T C 0.780 175.490 174.700 0.017 0.000 0.994 1190 T CA -0.114 62.017 62.100 0.052 0.000 1.033 1190 T CB 1.390 70.246 68.868 -0.019 0.000 1.342 1190 T HN 0.452 nan 8.240 nan 0.000 0.538 1191 T N -1.061 113.372 114.554 -0.201 0.000 2.915 1191 T HA -0.050 4.300 4.350 0.000 0.000 0.269 1191 T C 1.236 175.897 174.700 -0.064 0.000 1.071 1191 T CA 1.383 63.419 62.100 -0.106 0.000 1.132 1191 T CB -0.865 67.892 68.868 -0.185 0.000 0.878 1191 T HN 0.568 nan 8.240 nan 0.000 0.479 1192 Y N 1.856 122.211 120.300 0.092 0.000 2.293 1192 Y HA -0.008 4.542 4.550 0.000 0.000 0.291 1192 Y C 3.019 179.000 175.900 0.135 0.000 1.137 1192 Y CA 0.949 59.086 58.100 0.061 0.000 1.202 1192 Y CB -0.941 37.540 38.460 0.035 0.000 0.990 1192 Y HN 0.360 nan 8.280 nan 0.000 0.537 1193 S N -0.866 115.001 115.700 0.278 0.000 2.414 1193 S HA -0.122 4.349 4.470 0.000 0.000 0.227 1193 S C 1.513 176.353 174.600 0.400 0.000 1.022 1193 S CA 1.021 59.391 58.200 0.284 0.000 0.958 1193 S CB -0.328 62.968 63.200 0.160 0.000 0.797 1193 S HN 0.278 nan 8.310 nan 0.000 0.493 1194 D N 1.754 122.383 120.400 0.382 0.000 2.144 1194 D HA -0.024 4.616 4.640 0.000 0.000 0.199 1194 D C 2.011 178.624 176.300 0.521 0.000 0.984 1194 D CA 0.842 55.122 54.000 0.467 0.000 0.834 1194 D CB -0.421 40.674 40.800 0.491 0.000 0.955 1194 D HN 0.315 nan 8.370 nan 0.000 0.465 1195 V N 0.826 120.907 119.914 0.278 0.000 2.427 1195 V HA -0.176 3.944 4.120 0.000 0.000 0.248 1195 V C 2.131 178.422 176.094 0.328 0.000 1.051 1195 V CA 1.080 63.401 62.300 0.034 0.000 1.048 1195 V CB -0.435 31.226 31.823 -0.271 0.000 0.666 1195 V HN 0.411 nan 8.190 nan 0.000 0.456 1196 W N 1.269 122.720 121.300 0.252 0.000 2.335 1196 W HA -0.214 4.446 4.660 0.000 0.000 0.311 1196 W C 2.380 179.173 176.519 0.457 0.000 1.213 1196 W CA 2.123 59.681 57.345 0.355 0.000 1.274 1196 W CB -0.504 29.120 29.460 0.273 0.000 1.148 1196 W HN 0.349 nan 8.180 nan 0.000 0.498 1197 S N 0.747 116.869 115.700 0.705 0.000 2.402 1197 S HA -0.210 4.260 4.470 0.000 0.000 0.229 1197 S C 1.512 176.428 174.600 0.526 0.000 1.021 1197 S CA 1.397 59.987 58.200 0.651 0.000 0.974 1197 S CB -1.051 62.528 63.200 0.631 0.000 0.800 1197 S HN 0.336 nan 8.310 nan 0.000 0.484 1198 F N 2.891 123.049 119.950 0.347 0.000 2.161 1198 F HA -0.046 4.482 4.527 0.000 0.000 0.300 1198 F C 2.215 178.115 175.800 0.167 0.000 1.089 1198 F CA 1.153 59.319 58.000 0.276 0.000 1.282 1198 F CB -0.898 38.308 39.000 0.345 0.000 1.010 1198 F HN 0.215 nan 8.300 nan 0.000 0.485 1199 G N -0.035 108.834 108.800 0.115 0.000 2.421 1199 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 1199 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 1199 G C 1.705 176.722 174.900 0.194 0.000 1.171 1199 G CA 1.246 46.239 45.100 -0.179 0.000 0.775 1199 G HN 0.334 nan 8.290 nan 0.000 0.543 1200 V N 0.595 120.745 119.914 0.394 0.000 2.407 1200 V HA -0.158 3.962 4.120 0.000 0.000 0.248 1200 V C 2.990 179.274 176.094 0.316 0.000 1.055 1200 V CA 1.366 63.834 62.300 0.279 0.000 1.049 1200 V CB -0.382 31.433 31.823 -0.014 0.000 0.662 1200 V HN 0.245 nan 8.190 nan 0.000 0.455 1201 V N -0.222 119.851 119.914 0.266 0.000 2.358 1201 V HA -0.231 3.889 4.120 0.000 0.000 0.246 1201 V C 2.334 178.458 176.094 0.050 0.000 1.047 1201 V CA 1.775 64.191 62.300 0.194 0.000 1.035 1201 V CB -0.512 31.366 31.823 0.092 0.000 0.658 1201 V HN 0.435 nan 8.190 nan 0.000 0.452 1202 L N -1.483 119.663 121.223 -0.129 0.000 1.989 1202 L HA -0.256 4.085 4.340 0.000 0.000 0.211 1202 L C 2.344 179.242 176.870 0.046 0.000 1.071 1202 L CA 2.459 57.211 54.840 -0.147 0.000 0.749 1202 L CB -0.610 41.281 42.059 -0.280 0.000 0.890 1202 L HN 0.507 nan 8.230 nan 0.000 0.431 1203 W N 1.314 122.609 121.300 -0.009 0.000 2.338 1203 W HA -0.230 4.430 4.660 0.000 0.000 0.304 1203 W C 2.502 179.041 176.519 0.034 0.000 1.212 1203 W CA 1.849 59.235 57.345 0.069 0.000 1.264 1203 W CB -0.060 29.515 29.460 0.191 0.000 1.142 1203 W HN 0.109 nan 8.180 nan 0.000 0.512 1204 E N -0.098 120.315 120.200 0.355 0.000 2.130 1204 E HA -0.276 4.074 4.350 0.000 0.000 0.196 1204 E C 1.997 178.606 176.600 0.016 0.000 0.998 1204 E CA 1.987 58.519 56.400 0.220 0.000 0.806 1204 E CB -0.493 29.404 29.700 0.329 0.000 0.738 1204 E HN 0.418 nan 8.360 nan 0.000 0.459 1205 I N 0.679 121.254 120.570 0.009 0.000 2.286 1205 I HA -0.196 3.974 4.170 0.000 0.000 0.245 1205 I C 2.442 178.496 176.117 -0.104 0.000 1.104 1205 I CA 0.856 62.141 61.300 -0.025 0.000 1.397 1205 I CB -0.206 37.788 38.000 -0.011 0.000 1.072 1205 I HN 0.035 nan 8.210 nan 0.000 0.417 1206 A N 0.401 123.119 122.820 -0.171 0.000 2.121 1206 A HA -0.139 4.181 4.320 0.000 0.000 0.218 1206 A C 2.209 179.591 177.584 -0.337 0.000 1.154 1206 A CA 1.941 53.839 52.037 -0.231 0.000 0.679 1206 A CB -0.858 18.005 19.000 -0.230 0.000 0.795 1206 A HN 0.524 nan 8.150 nan 0.000 0.458 1207 T N -4.065 110.218 114.554 -0.451 0.000 3.054 1207 T HA 0.422 4.772 4.350 0.000 0.000 0.255 1207 T C 0.512 175.055 174.700 -0.262 0.000 1.035 1207 T CA 0.239 62.049 62.100 -0.484 0.000 0.941 1207 T CB -0.457 67.871 68.868 -0.900 0.000 1.026 1207 T HN 0.558 nan 8.240 nan 0.000 0.533 1208 L N 0.660 121.777 121.223 -0.175 0.000 3.597 1208 L HA -0.200 4.140 4.340 0.000 0.000 0.440 1208 L C 0.760 177.600 176.870 -0.051 0.000 1.277 1208 L CA 0.134 54.917 54.840 -0.094 0.000 0.852 1208 L CB -2.353 39.647 42.059 -0.100 0.000 1.708 1208 L HN 0.783 nan 8.230 nan 0.000 0.885 1209 A N -0.887 121.923 122.820 -0.017 0.000 2.971 1209 A HA -0.174 4.146 4.320 0.000 0.000 0.280 1209 A C 0.506 178.143 177.584 0.088 0.000 1.430 1209 A CA 1.320 53.405 52.037 0.079 0.000 0.749 1209 A CB -1.350 17.704 19.000 0.090 0.000 1.038 1209 A HN 0.649 nan 8.150 nan 0.000 0.510 1210 E N 0.017 120.250 120.200 0.055 0.000 2.343 1210 E HA 0.299 4.649 4.350 0.000 0.000 0.269 1210 E C 0.520 177.292 176.600 0.287 0.000 1.047 1210 E CA -0.579 55.893 56.400 0.119 0.000 0.874 1210 E CB 0.571 30.293 29.700 0.038 0.000 1.033 1210 E HN 0.592 nan 8.360 nan 0.000 0.409 1211 Q N 3.145 123.075 119.800 0.216 0.000 2.255 1211 Q HA 0.048 4.389 4.340 0.000 0.000 0.280 1211 Q C -2.205 173.864 176.000 0.114 0.000 1.068 1211 Q CA -1.448 54.463 55.803 0.179 0.000 0.911 1211 Q CB 0.393 29.207 28.738 0.127 0.000 1.157 1211 Q HN 0.131 nan 8.270 nan 0.000 0.380 1212 P HA -0.089 nan 4.420 nan 0.000 0.269 1212 P C -1.226 175.828 177.300 -0.410 0.000 1.209 1212 P CA 0.328 63.021 63.100 -0.678 0.000 0.776 1212 P CB 0.175 31.321 31.700 -0.923 0.000 0.876 1213 Y N -1.597 118.425 120.300 -0.464 0.000 3.589 1213 Y HA -0.265 4.285 4.550 0.000 0.000 0.218 1213 Y C 0.939 176.710 175.900 -0.214 0.000 1.234 1213 Y CA 0.487 58.378 58.100 -0.349 0.000 1.576 1213 Y CB -2.712 35.542 38.460 -0.343 0.000 1.487 1213 Y HN 0.433 nan 8.280 nan 0.000 0.616 1214 Q N 0.806 120.583 119.800 -0.038 0.000 2.315 1214 Q HA 0.321 4.661 4.340 0.000 0.000 0.289 1214 Q C 1.494 177.479 176.000 -0.025 0.000 1.044 1214 Q CA 1.446 57.250 55.803 0.002 0.000 0.920 1214 Q CB 0.491 29.254 28.738 0.041 0.000 1.214 1214 Q HN 0.786 nan 8.270 nan 0.000 0.392 1215 G N 2.915 111.702 108.800 -0.021 0.000 2.234 1215 G HA2 -0.236 3.724 3.960 0.000 0.000 0.235 1215 G HA3 -0.236 3.724 3.960 0.000 0.000 0.235 1215 G C -0.151 174.716 174.900 -0.055 0.000 0.997 1215 G CA 0.058 45.137 45.100 -0.036 0.000 0.623 1215 G HN 0.530 nan 8.290 nan 0.000 0.514 1216 L N 2.313 123.493 121.223 -0.071 0.000 2.309 1216 L HA 0.608 4.949 4.340 0.000 0.000 0.282 1216 L C 1.260 178.101 176.870 -0.049 0.000 1.036 1216 L CA -0.284 54.503 54.840 -0.088 0.000 0.806 1216 L CB 1.739 43.700 42.059 -0.163 0.000 1.220 1216 L HN 0.425 nan 8.230 nan 0.000 0.429 1217 S N 1.289 116.965 115.700 -0.040 0.000 2.624 1217 S HA 0.177 4.647 4.470 0.000 0.000 0.263 1217 S C 0.900 175.484 174.600 -0.027 0.000 1.287 1217 S CA -0.740 57.449 58.200 -0.020 0.000 0.990 1217 S CB 0.889 64.082 63.200 -0.013 0.000 0.950 1217 S HN 0.598 nan 8.310 nan 0.000 0.561 1218 N N 1.517 120.213 118.700 -0.006 0.000 2.036 1218 N HA -0.169 4.571 4.740 0.000 0.000 0.195 1218 N C 1.576 177.071 175.510 -0.026 0.000 1.037 1218 N CA 2.051 55.097 53.050 -0.006 0.000 0.855 1218 N CB -0.794 37.706 38.487 0.022 0.000 1.033 1218 N HN 0.803 nan 8.380 nan 0.000 0.423 1219 E N 0.603 120.793 120.200 -0.017 0.000 2.160 1219 E HA -0.166 4.184 4.350 0.000 0.000 0.195 1219 E C 1.985 178.567 176.600 -0.029 0.000 0.991 1219 E CA 0.925 57.313 56.400 -0.019 0.000 0.810 1219 E CB -0.048 29.646 29.700 -0.010 0.000 0.742 1219 E HN 0.486 nan 8.360 nan 0.000 0.466 1220 Q N -0.200 119.578 119.800 -0.036 0.000 2.187 1220 Q HA -0.071 4.269 4.340 0.000 0.000 0.199 1220 Q C 2.271 178.238 176.000 -0.056 0.000 0.957 1220 Q CA 0.805 56.585 55.803 -0.038 0.000 0.857 1220 Q CB 0.239 28.948 28.738 -0.050 0.000 0.929 1220 Q HN 0.146 nan 8.270 nan 0.000 0.453 1221 V N 1.182 121.025 119.914 -0.118 0.000 2.343 1221 V HA -0.265 3.855 4.120 0.000 0.000 0.247 1221 V C 2.169 178.162 176.094 -0.170 0.000 1.051 1221 V CA 1.500 63.658 62.300 -0.237 0.000 1.036 1221 V CB -0.499 31.130 31.823 -0.324 0.000 0.654 1221 V HN 0.337 nan 8.190 nan 0.000 0.451 1222 L N 0.247 121.406 121.223 -0.107 0.000 2.012 1222 L HA -0.198 4.143 4.340 0.000 0.000 0.210 1222 L C 2.604 179.435 176.870 -0.065 0.000 1.073 1222 L CA 2.028 56.817 54.840 -0.085 0.000 0.748 1222 L CB -0.498 41.529 42.059 -0.053 0.000 0.891 1222 L HN 0.192 nan 8.230 nan 0.000 0.431 1223 R N -1.784 118.699 120.500 -0.028 0.000 2.090 1223 R HA -0.120 4.220 4.340 0.000 0.000 0.228 1223 R C 2.231 178.536 176.300 0.008 0.000 1.110 1223 R CA 1.478 57.572 56.100 -0.011 0.000 0.973 1223 R CB -0.626 29.678 30.300 0.007 0.000 0.869 1223 R HN 0.360 nan 8.270 nan 0.000 0.440 1224 F N 1.286 121.157 119.950 -0.130 0.000 2.046 1224 F HA -0.224 4.303 4.527 0.001 0.000 0.297 1224 F C 2.042 177.769 175.800 -0.121 0.000 1.123 1224 F CA 1.479 59.403 58.000 -0.126 0.000 1.199 1224 F CB -0.341 38.560 39.000 -0.165 0.000 0.972 1224 F HN -0.292 nan 8.300 nan 0.000 0.474 1225 V N 0.401 120.230 119.914 -0.140 0.000 2.427 1225 V HA -0.314 3.806 4.120 0.000 0.000 0.248 1225 V C 2.451 178.460 176.094 -0.141 0.000 1.051 1225 V CA 2.059 64.249 62.300 -0.185 0.000 1.048 1225 V CB -0.596 31.115 31.823 -0.187 0.000 0.666 1225 V HN 0.476 nan 8.190 nan 0.000 0.456 1226 M N -0.386 119.142 119.600 -0.119 0.000 2.229 1226 M HA -0.141 4.339 4.480 0.000 0.000 0.264 1226 M C 1.717 178.033 176.300 0.026 0.000 1.063 1226 M CA 1.675 56.939 55.300 -0.060 0.000 1.114 1226 M CB -0.015 32.542 32.600 -0.072 0.000 1.387 1226 M HN 0.334 nan 8.290 nan 0.000 0.420 1227 E N -1.163 118.989 120.200 -0.080 0.000 2.444 1227 E HA 0.183 4.534 4.350 0.000 0.000 0.191 1227 E C 0.812 177.248 176.600 -0.273 0.000 1.041 1227 E CA 0.388 56.704 56.400 -0.140 0.000 0.883 1227 E CB 0.470 30.096 29.700 -0.124 0.000 1.024 1227 E HN 0.708 nan 8.360 nan 0.000 0.470 1228 G N 1.003 109.650 108.800 -0.255 0.000 2.192 1228 G HA2 -0.198 3.762 3.960 0.000 0.000 0.193 1228 G HA3 -0.198 3.762 3.960 0.000 0.000 0.193 1228 G C 0.568 175.284 174.900 -0.307 0.000 0.999 1228 G CA -0.476 44.441 45.100 -0.306 0.000 0.659 1228 G HN 0.434 nan 8.290 nan 0.000 0.503 1229 G N -0.105 108.320 108.800 -0.625 0.000 2.554 1229 G HA2 0.558 4.518 3.960 0.000 0.000 0.238 1229 G HA3 0.558 4.518 3.960 0.000 0.000 0.238 1229 G C -0.034 174.572 174.900 -0.490 0.000 1.259 1229 G CA 0.143 44.504 45.100 -1.232 0.000 0.843 1229 G HN 0.799 nan 8.290 nan 0.000 0.582 1230 L N 0.438 121.583 121.223 -0.131 0.000 2.376 1230 L HA 0.425 4.765 4.340 0.000 0.000 0.258 1230 L C 0.091 177.043 176.870 0.137 0.000 1.013 1230 L CA -1.032 53.829 54.840 0.036 0.000 0.822 1230 L CB 2.034 44.140 42.059 0.079 0.000 1.388 1230 L HN 0.323 nan 8.230 nan 0.000 0.413 1231 L N 1.013 122.016 121.223 -0.367 0.000 2.467 1231 L HA 0.112 4.452 4.340 0.000 0.000 0.270 1231 L C -0.176 176.755 176.870 0.102 0.000 1.205 1231 L CA -0.130 54.431 54.840 -0.466 0.000 0.828 1231 L CB 0.228 41.529 42.059 -1.263 0.000 1.101 1231 L HN 0.498 nan 8.230 nan 0.000 0.479 1232 D N 1.339 121.831 120.400 0.153 0.000 2.329 1232 D HA 0.099 4.740 4.640 0.000 0.000 0.246 1232 D C -0.017 176.418 176.300 0.225 0.000 1.111 1232 D CA -0.365 53.762 54.000 0.212 0.000 0.941 1232 D CB 0.885 41.751 40.800 0.111 0.000 1.169 1232 D HN 0.279 nan 8.370 nan 0.000 0.441 1233 K N 1.649 121.838 120.400 -0.351 0.000 2.412 1233 K HA 0.139 4.459 4.320 0.000 0.000 0.284 1233 K C -2.277 174.167 176.600 -0.260 0.000 1.046 1233 K CA -1.068 54.731 56.287 -0.812 0.000 0.999 1233 K CB 0.231 31.895 32.500 -1.393 0.000 0.941 1233 K HN 0.071 nan 8.250 nan 0.000 0.474 1234 P HA -0.034 nan 4.420 nan 0.000 0.269 1234 P C 0.038 177.235 177.300 -0.172 0.000 1.217 1234 P CA -0.306 62.678 63.100 -0.194 0.000 0.783 1234 P CB 0.574 32.075 31.700 -0.332 0.000 0.898 1235 D N 0.806 121.121 120.400 -0.141 0.000 2.127 1235 D HA -0.178 4.463 4.640 0.000 0.000 0.190 1235 D C 0.311 176.547 176.300 -0.107 0.000 1.000 1235 D CA 1.773 55.707 54.000 -0.111 0.000 0.839 1235 D CB -0.409 40.336 40.800 -0.091 0.000 0.955 1235 D HN 0.496 nan 8.370 nan 0.000 0.446 1236 N N -0.722 117.912 118.700 -0.110 0.000 2.535 1236 N HA 0.146 4.886 4.740 0.000 0.000 0.294 1236 N C -0.812 174.643 175.510 -0.092 0.000 1.408 1236 N CA -0.354 52.641 53.050 -0.091 0.000 0.927 1236 N CB 0.881 39.321 38.487 -0.078 0.000 1.276 1236 N HN 0.034 nan 8.380 nan 0.000 0.505 1237 C N 1.942 121.178 119.300 -0.107 0.000 2.499 1237 C HA 0.358 4.818 4.460 0.000 0.000 0.386 1237 C C -2.002 172.958 174.990 -0.049 0.000 1.293 1237 C CA -1.780 57.186 59.018 -0.087 0.000 1.884 1237 C CB -0.320 27.362 27.740 -0.096 0.000 2.509 1237 C HN 0.336 nan 8.230 nan 0.000 0.566 1238 P HA 0.077 nan 4.420 nan 0.000 0.262 1238 P C 0.356 177.666 177.300 0.017 0.000 1.182 1238 P CA 0.499 63.590 63.100 -0.014 0.000 0.761 1238 P CB 0.536 32.225 31.700 -0.019 0.000 0.795 1239 D N 2.520 122.932 120.400 0.022 0.000 2.133 1239 D HA -0.201 4.439 4.640 0.000 0.000 0.195 1239 D C 1.665 178.005 176.300 0.066 0.000 0.997 1239 D CA 1.243 55.278 54.000 0.058 0.000 0.840 1239 D CB -0.475 40.348 40.800 0.039 0.000 0.947 1239 D HN 0.348 nan 8.370 nan 0.000 0.452 1240 M N 0.198 119.813 119.600 0.026 0.000 2.082 1240 M HA -0.175 4.305 4.480 0.000 0.000 0.258 1240 M C 2.024 178.321 176.300 -0.004 0.000 1.069 1240 M CA 1.256 56.559 55.300 0.005 0.000 1.102 1240 M CB -0.444 32.151 32.600 -0.009 0.000 1.336 1240 M HN 0.088 nan 8.290 nan 0.000 0.404 1241 L N -0.119 121.108 121.223 0.007 0.000 2.109 1241 L HA -0.131 4.209 4.340 0.000 0.000 0.207 1241 L C 2.181 179.046 176.870 -0.009 0.000 1.086 1241 L CA 1.314 56.144 54.840 -0.016 0.000 0.760 1241 L CB -0.800 41.249 42.059 -0.016 0.000 0.910 1241 L HN 0.299 nan 8.230 nan 0.000 0.437 1242 F N 0.049 119.945 119.950 -0.090 0.000 2.234 1242 F HA -0.129 4.398 4.527 0.000 0.000 0.299 1242 F C 2.321 178.044 175.800 -0.128 0.000 1.087 1242 F CA 1.194 59.139 58.000 -0.091 0.000 1.340 1242 F CB -0.038 38.951 39.000 -0.019 0.000 1.031 1242 F HN 0.107 nan 8.300 nan 0.000 0.500 1243 E N 0.100 120.227 120.200 -0.122 0.000 2.106 1243 E HA -0.174 4.176 4.350 0.000 0.000 0.192 1243 E C 2.247 178.686 176.600 -0.269 0.000 0.984 1243 E CA 0.806 57.088 56.400 -0.196 0.000 0.806 1243 E CB -0.813 28.846 29.700 -0.069 0.000 0.750 1243 E HN 0.385 nan 8.360 nan 0.000 0.458 1244 L N 0.559 121.643 121.223 -0.232 0.000 2.056 1244 L HA -0.081 4.259 4.340 0.000 0.000 0.207 1244 L C 2.230 178.849 176.870 -0.417 0.000 1.078 1244 L CA 1.479 56.181 54.840 -0.231 0.000 0.749 1244 L CB -0.471 41.508 42.059 -0.135 0.000 0.901 1244 L HN 0.075 nan 8.230 nan 0.000 0.433 1245 M N -1.136 118.090 119.600 -0.623 0.000 2.108 1245 M HA -0.258 4.222 4.480 0.000 0.000 0.261 1245 M C 2.349 177.858 176.300 -1.318 0.000 1.066 1245 M CA 1.763 56.340 55.300 -1.204 0.000 1.107 1245 M CB -0.521 31.252 32.600 -1.380 0.000 1.356 1245 M HN 0.179 nan 8.290 nan 0.000 0.406 1246 R N -0.040 119.923 120.500 -0.895 0.000 2.152 1246 R HA -0.056 4.285 4.340 0.000 0.000 0.232 1246 R C 2.043 178.160 176.300 -0.305 0.000 1.117 1246 R CA 1.244 57.022 56.100 -0.537 0.000 0.981 1246 R CB -0.232 29.800 30.300 -0.448 0.000 0.870 1246 R HN 0.461 nan 8.270 nan 0.000 0.451 1247 M N -0.948 118.466 119.600 -0.311 0.000 2.236 1247 M HA -0.096 4.384 4.480 0.000 0.000 0.266 1247 M C 2.268 178.479 176.300 -0.148 0.000 1.070 1247 M CA 1.004 56.201 55.300 -0.172 0.000 1.137 1247 M CB -0.019 32.496 32.600 -0.143 0.000 1.378 1247 M HN 0.163 nan 8.290 nan 0.000 0.426 1248 C N -0.461 118.669 119.300 -0.283 0.000 2.435 1248 C HA -0.106 4.355 4.460 0.000 0.000 0.279 1248 C C 1.671 176.635 174.990 -0.044 0.000 1.321 1248 C CA 0.205 59.101 59.018 -0.203 0.000 1.752 1248 C CB -0.957 26.583 27.740 -0.334 0.000 1.959 1248 C HN 0.657 nan 8.230 nan 0.000 0.500 1249 W N 0.886 122.042 121.300 -0.240 0.000 3.391 1249 W HA 0.283 4.943 4.660 0.000 0.000 0.372 1249 W C 0.552 177.155 176.519 0.139 0.000 1.171 1249 W CA -0.569 56.577 57.345 -0.332 0.000 1.862 1249 W CB -1.256 27.816 29.460 -0.645 0.000 1.048 1249 W HN 0.375 nan 8.180 nan 0.000 0.726 1250 Q N 0.304 120.281 119.800 0.294 0.000 2.286 1250 Q HA -0.145 4.195 4.340 0.000 0.000 0.290 1250 Q C 1.060 177.266 176.000 0.343 0.000 1.049 1250 Q CA 0.328 56.281 55.803 0.250 0.000 0.923 1250 Q CB 0.574 29.384 28.738 0.121 0.000 1.183 1250 Q HN 0.323 nan 8.270 nan 0.000 0.383 1251 Y N 3.069 123.470 120.300 0.169 0.000 2.181 1251 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 1251 Y C 0.898 176.817 175.900 0.032 0.000 1.146 1251 Y CA 1.300 59.463 58.100 0.105 0.000 1.164 1251 Y CB 0.328 38.812 38.460 0.039 0.000 0.982 1251 Y HN 0.572 nan 8.280 nan 0.000 0.515 1252 N N 1.083 119.820 118.700 0.063 0.000 2.411 1252 N HA 0.062 4.802 4.740 0.000 0.000 0.259 1252 N C -2.144 173.308 175.510 -0.098 0.000 1.103 1252 N CA -1.836 51.181 53.050 -0.056 0.000 0.954 1252 N CB 1.337 39.823 38.487 -0.002 0.000 1.085 1252 N HN 0.027 nan 8.380 nan 0.000 0.485 1253 P HA -0.136 nan 4.420 nan 0.000 0.216 1253 P C 0.825 177.854 177.300 -0.451 0.000 1.153 1253 P CA 1.390 64.363 63.100 -0.212 0.000 0.858 1253 P CB 0.364 31.945 31.700 -0.199 0.000 0.789 1254 K N -1.325 118.801 120.400 -0.456 0.000 2.439 1254 K HA 0.071 4.391 4.320 0.000 0.000 0.197 1254 K C 1.420 177.868 176.600 -0.253 0.000 1.041 1254 K CA 0.839 56.832 56.287 -0.489 0.000 0.970 1254 K CB -0.344 31.971 32.500 -0.309 0.000 0.773 1254 K HN 0.247 nan 8.250 nan 0.000 0.479 1255 M N 0.242 119.748 119.600 -0.157 0.000 2.495 1255 M HA 0.079 4.559 4.480 0.000 0.000 0.237 1255 M C 0.327 176.600 176.300 -0.044 0.000 1.131 1255 M CA 0.221 55.478 55.300 -0.071 0.000 1.032 1255 M CB -0.154 32.430 32.600 -0.027 0.000 1.513 1255 M HN -0.083 nan 8.290 nan 0.000 0.488 1256 R N 0.782 121.251 120.500 -0.053 0.000 2.543 1256 R HA 0.405 4.745 4.340 0.000 0.000 0.268 1256 R C -2.187 174.105 176.300 -0.014 0.000 1.067 1256 R CA -1.421 54.675 56.100 -0.007 0.000 1.142 1256 R CB -0.032 30.302 30.300 0.057 0.000 1.110 1256 R HN -0.019 nan 8.270 nan 0.000 0.549 1257 P HA 0.084 nan 4.420 nan 0.000 0.276 1257 P C -0.836 176.411 177.300 -0.088 0.000 1.252 1257 P CA -0.544 62.523 63.100 -0.056 0.000 0.802 1257 P CB 0.968 32.616 31.700 -0.087 0.000 1.035 1258 S N -0.271 115.392 115.700 -0.061 0.000 2.693 1258 S HA 0.338 4.809 4.470 0.000 0.000 0.276 1258 S C 0.784 175.287 174.600 -0.162 0.000 1.192 1258 S CA -0.363 57.784 58.200 -0.088 0.000 0.994 1258 S CB 0.069 63.296 63.200 0.044 0.000 1.012 1258 S HN 0.177 nan 8.310 nan 0.000 0.550 1259 F N 0.286 120.213 119.950 -0.038 0.000 2.171 1259 F HA 0.052 4.579 4.527 0.000 0.000 0.300 1259 F C 2.090 177.881 175.800 -0.014 0.000 1.090 1259 F CA 0.964 58.896 58.000 -0.112 0.000 1.293 1259 F CB -0.755 38.172 39.000 -0.121 0.000 1.013 1259 F HN 0.453 nan 8.300 nan 0.000 0.486 1260 L N -0.330 121.046 121.223 0.254 0.000 2.042 1260 L HA -0.229 4.111 4.340 0.000 0.000 0.210 1260 L C 2.285 179.265 176.870 0.184 0.000 1.076 1260 L CA 1.545 56.555 54.840 0.283 0.000 0.749 1260 L CB -0.667 41.551 42.059 0.265 0.000 0.893 1260 L HN 0.177 nan 8.230 nan 0.000 0.432 1261 E N 0.119 120.377 120.200 0.097 0.000 2.106 1261 E HA -0.184 4.167 4.350 0.000 0.000 0.192 1261 E C 2.264 178.866 176.600 0.004 0.000 0.984 1261 E CA 1.035 57.464 56.400 0.048 0.000 0.806 1261 E CB -0.028 29.684 29.700 0.021 0.000 0.750 1261 E HN 0.494 nan 8.360 nan 0.000 0.458 1262 I N 0.875 121.432 120.570 -0.022 0.000 2.202 1262 I HA -0.262 3.908 4.170 0.000 0.000 0.242 1262 I C 2.340 178.425 176.117 -0.054 0.000 1.091 1262 I CA 0.984 62.261 61.300 -0.038 0.000 1.368 1262 I CB -0.251 37.704 38.000 -0.076 0.000 1.058 1262 I HN 0.086 nan 8.210 nan 0.000 0.410 1263 I N 0.200 120.727 120.570 -0.070 0.000 2.118 1263 I HA -0.376 3.794 4.170 0.000 0.000 0.241 1263 I C 2.813 178.735 176.117 -0.325 0.000 1.070 1263 I CA 1.785 62.955 61.300 -0.216 0.000 1.327 1263 I CB -0.454 37.375 38.000 -0.285 0.000 1.034 1263 I HN 0.232 nan 8.210 nan 0.000 0.405 1264 S N 0.393 115.947 115.700 -0.243 0.000 2.400 1264 S HA -0.205 4.265 4.470 0.000 0.000 0.232 1264 S C 2.146 176.701 174.600 -0.074 0.000 1.025 1264 S CA 1.916 60.035 58.200 -0.135 0.000 0.993 1264 S CB -0.388 62.858 63.200 0.076 0.000 0.808 1264 S HN 0.614 nan 8.310 nan 0.000 0.478 1265 S N 0.961 116.624 115.700 -0.061 0.000 2.522 1265 S HA 0.089 4.560 4.470 0.000 0.000 0.227 1265 S C 1.519 176.085 174.600 -0.055 0.000 0.986 1265 S CA 0.622 58.798 58.200 -0.040 0.000 0.929 1265 S CB -0.654 62.529 63.200 -0.029 0.000 0.769 1265 S HN 0.828 nan 8.310 nan 0.000 0.529 1266 I N -1.933 118.580 120.570 -0.095 0.000 4.240 1266 I HA 0.328 4.498 4.170 0.000 0.000 0.331 1266 I C 1.742 177.772 176.117 -0.145 0.000 1.381 1266 I CA -0.396 60.842 61.300 -0.103 0.000 1.136 1266 I CB -0.012 37.928 38.000 -0.099 0.000 1.137 1266 I HN 0.116 nan 8.210 nan 0.000 0.411 1267 K N 1.481 121.777 120.400 -0.172 0.000 2.113 1267 K HA -0.163 4.157 4.320 0.000 0.000 0.208 1267 K C 1.285 177.846 176.600 -0.065 0.000 1.047 1267 K CA 1.615 57.797 56.287 -0.176 0.000 0.928 1267 K CB -0.415 32.023 32.500 -0.104 0.000 0.716 1267 K HN 0.253 nan 8.250 nan 0.000 0.446 1268 E N 1.248 121.435 120.200 -0.021 0.000 2.171 1268 E HA -0.163 4.187 4.350 0.000 0.000 0.197 1268 E C 1.708 178.296 176.600 -0.021 0.000 0.997 1268 E CA 1.172 57.572 56.400 0.002 0.000 0.810 1268 E CB -0.076 29.629 29.700 0.008 0.000 0.738 1268 E HN 0.498 nan 8.360 nan 0.000 0.467 1269 E N -0.261 119.909 120.200 -0.050 0.000 2.489 1269 E HA 0.046 4.396 4.350 0.000 0.000 0.193 1269 E C 0.914 177.471 176.600 -0.071 0.000 1.057 1269 E CA 0.058 56.427 56.400 -0.052 0.000 0.866 1269 E CB -0.035 29.633 29.700 -0.053 0.000 0.916 1269 E HN 0.250 nan 8.360 nan 0.000 0.500 1270 M N 1.020 120.553 119.600 -0.111 0.000 2.226 1270 M HA 0.111 4.591 4.480 0.000 0.000 0.324 1270 M C 0.692 176.975 176.300 -0.030 0.000 1.112 1270 M CA 0.130 55.345 55.300 -0.141 0.000 1.176 1270 M CB 0.284 32.676 32.600 -0.347 0.000 1.430 1270 M HN -0.124 nan 8.290 nan 0.000 0.462 1271 E N 1.729 121.937 120.200 0.014 0.000 2.408 1271 E HA 0.010 4.360 4.350 0.000 0.000 0.259 1271 E C -1.517 175.143 176.600 0.101 0.000 1.110 1271 E CA -1.318 55.118 56.400 0.060 0.000 0.929 1271 E CB 0.229 29.977 29.700 0.081 0.000 0.971 1271 E HN 0.390 nan 8.360 nan 0.000 0.438 1272 P HA -0.116 nan 4.420 nan 0.000 0.219 1272 P C 1.012 178.364 177.300 0.086 0.000 1.146 1272 P CA 1.067 64.207 63.100 0.067 0.000 0.808 1272 P CB 0.128 31.851 31.700 0.039 0.000 0.779 1273 G N -1.844 107.023 108.800 0.111 0.000 2.679 1273 G HA2 -0.211 3.749 3.960 0.000 0.000 0.212 1273 G HA3 -0.211 3.749 3.960 0.000 0.000 0.212 1273 G C 1.108 176.089 174.900 0.135 0.000 1.137 1273 G CA -0.236 44.918 45.100 0.090 0.000 0.787 1273 G HN 0.173 nan 8.290 nan 0.000 0.534 1274 F N 0.979 120.972 119.950 0.071 0.000 2.293 1274 F HA 0.098 4.625 4.527 0.000 0.000 0.300 1274 F C 2.468 178.375 175.800 0.179 0.000 1.086 1274 F CA 0.888 58.981 58.000 0.155 0.000 1.375 1274 F CB 0.145 39.255 39.000 0.183 0.000 1.045 1274 F HN 0.129 nan 8.300 nan 0.000 0.516 1275 R N 0.429 120.977 120.500 0.080 0.000 2.276 1275 R HA -0.085 4.256 4.340 0.000 0.000 0.203 1275 R C 1.997 178.244 176.300 -0.090 0.000 1.017 1275 R CA 1.344 57.366 56.100 -0.130 0.000 1.010 1275 R CB -0.187 29.867 30.300 -0.409 0.000 0.900 1275 R HN 0.566 nan 8.270 nan 0.000 0.469 1276 E N -0.546 119.602 120.200 -0.085 0.000 2.340 1276 E HA -0.057 4.293 4.350 0.000 0.000 0.198 1276 E C 1.488 178.002 176.600 -0.143 0.000 0.961 1276 E CA 0.789 57.130 56.400 -0.097 0.000 0.905 1276 E CB 0.352 29.999 29.700 -0.089 0.000 0.884 1276 E HN 0.262 nan 8.360 nan 0.000 0.491 1277 V N -0.185 119.603 119.914 -0.211 0.000 3.379 1277 V HA 0.140 4.260 4.120 0.000 0.000 0.249 1277 V C 1.314 177.261 176.094 -0.245 0.000 1.184 1277 V CA 0.255 62.356 62.300 -0.333 0.000 1.106 1277 V CB 0.087 31.498 31.823 -0.686 0.000 0.826 1277 V HN 0.233 nan 8.190 nan 0.000 0.465 1278 S N 0.011 115.543 115.700 -0.280 0.000 2.600 1278 S HA 0.259 4.729 4.470 0.000 0.000 0.265 1278 S C 0.707 175.313 174.600 0.010 0.000 1.325 1278 S CA 0.322 58.387 58.200 -0.225 0.000 1.002 1278 S CB 0.573 63.173 63.200 -1.001 0.000 0.921 1278 S HN 0.494 nan 8.310 nan 0.000 0.554 1279 F N 1.043 121.013 119.950 0.034 0.000 2.367 1279 F HA 0.048 4.576 4.527 0.000 0.000 0.298 1279 F C 1.873 177.730 175.800 0.095 0.000 1.094 1279 F CA 0.729 58.786 58.000 0.095 0.000 1.409 1279 F CB -0.598 38.522 39.000 0.200 0.000 1.064 1279 F HN 0.804 nan 8.300 nan 0.000 0.528 1280 Y N -0.329 119.892 120.300 -0.132 0.000 2.165 1280 Y HA -0.287 4.263 4.550 0.000 0.000 0.286 1280 Y C 1.335 176.987 175.900 -0.413 0.000 1.155 1280 Y CA 2.147 60.084 58.100 -0.271 0.000 1.164 1280 Y CB -0.535 37.872 38.460 -0.088 0.000 0.978 1280 Y HN 0.138 nan 8.280 nan 0.000 0.513 1281 Y N -0.108 120.141 120.300 -0.085 0.000 2.468 1281 Y HA 0.149 4.700 4.550 0.000 0.000 0.268 1281 Y C 1.216 177.017 175.900 -0.164 0.000 1.177 1281 Y CA -0.192 57.839 58.100 -0.116 0.000 1.265 1281 Y CB 0.005 38.472 38.460 0.011 0.000 1.103 1281 Y HN -0.010 nan 8.280 nan 0.000 0.522 1282 S N -0.500 115.128 115.700 -0.121 0.000 2.624 1282 S HA 0.067 4.537 4.470 0.000 0.000 0.263 1282 S C 1.151 175.668 174.600 -0.139 0.000 1.287 1282 S CA -0.704 57.434 58.200 -0.104 0.000 0.990 1282 S CB 1.076 64.227 63.200 -0.082 0.000 0.950 1282 S HN 0.258 nan 8.310 nan 0.000 0.561 1283 E N 0.700 120.859 120.200 -0.069 0.000 2.150 1283 E HA -0.159 4.191 4.350 0.000 0.000 0.193 1283 E C 1.722 178.282 176.600 -0.066 0.000 0.985 1283 E CA 0.940 57.306 56.400 -0.057 0.000 0.814 1283 E CB -0.339 29.351 29.700 -0.017 0.000 0.752 1283 E HN 0.888 nan 8.360 nan 0.000 0.466 1284 E N 0.977 121.151 120.200 -0.043 0.000 2.209 1284 E HA -0.155 4.195 4.350 0.000 0.000 0.196 1284 E C 0.982 177.552 176.600 -0.051 0.000 0.993 1284 E CA 0.442 56.865 56.400 0.039 0.000 0.819 1284 E CB 0.119 29.962 29.700 0.239 0.000 0.745 1284 E HN 0.018 nan 8.360 nan 0.000 0.477 1285 N N 0.000 118.493 118.700 -0.345 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.798 53.050 -0.420 0.000 0.885 1285 N CB 0.000 37.936 38.487 -0.919 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667