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 3f5p_1_C DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEMX XXPVLAPPSL 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 YYSEENK 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 0.000 174.679 174.600 0.131 0.000 1.055 980 S CA 0.000 58.255 58.200 0.092 0.000 1.107 980 S CB 0.000 63.246 63.200 0.077 0.000 0.593 981 F N 2.902 122.857 119.950 0.007 0.000 2.420 981 F HA 0.687 5.214 4.527 -0.000 0.000 0.352 981 F C 0.667 176.477 175.800 0.017 0.000 1.108 981 F CA 0.829 58.836 58.000 0.012 0.000 1.162 981 F CB 1.191 40.196 39.000 0.009 0.000 1.118 981 F HN 0.947 nan 8.300 nan 0.000 0.510 982 S N 3.187 118.721 115.700 -0.276 0.000 2.685 982 S HA 0.712 5.182 4.470 -0.000 0.000 0.282 982 S C 0.502 174.974 174.600 -0.214 0.000 1.159 982 S CA -0.443 57.669 58.200 -0.146 0.000 0.833 982 S CB 1.195 64.341 63.200 -0.090 0.000 1.151 982 S HN 0.768 nan 8.310 nan 0.000 0.485 983 A N 0.894 123.689 122.820 -0.042 0.000 1.948 983 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 983 A C 2.322 179.957 177.584 0.084 0.000 1.177 983 A CA 2.255 54.352 52.037 0.101 0.000 0.636 983 A CB -1.728 17.304 19.000 0.054 0.000 0.815 983 A HN 1.548 nan 8.150 nan 0.000 0.449 984 A N 0.023 122.821 122.820 -0.037 0.000 1.958 984 A HA -0.278 4.042 4.320 -0.000 0.000 0.221 984 A C 1.800 179.334 177.584 -0.084 0.000 1.178 984 A CA 1.948 53.960 52.037 -0.042 0.000 0.642 984 A CB -0.645 18.316 19.000 -0.064 0.000 0.816 984 A HN 0.598 nan 8.150 nan 0.000 0.453 985 D N -0.855 119.403 120.400 -0.238 0.000 2.144 985 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 985 D C 2.020 178.186 176.300 -0.224 0.000 0.978 985 D CA 1.757 55.565 54.000 -0.319 0.000 0.833 985 D CB -0.046 40.310 40.800 -0.741 0.000 0.961 985 D HN 0.417 nan 8.370 nan 0.000 0.470 986 V N -0.735 119.041 119.914 -0.230 0.000 2.672 986 V HA -0.090 4.030 4.120 -0.000 0.000 0.242 986 V C 1.571 177.544 176.094 -0.200 0.000 1.059 986 V CA 0.687 62.865 62.300 -0.203 0.000 1.081 986 V CB -0.525 31.140 31.823 -0.263 0.000 0.752 986 V HN 0.015 nan 8.190 nan 0.000 0.472 987 Y N 0.368 120.631 120.300 -0.062 0.000 2.578 987 Y HA 0.356 4.906 4.550 0.000 0.000 0.297 987 Y C 1.006 176.872 175.900 -0.056 0.000 1.176 987 Y CA 1.015 59.085 58.100 -0.051 0.000 1.315 987 Y CB 0.329 38.752 38.460 -0.061 0.000 1.031 987 Y HN 0.174 nan 8.280 nan 0.000 0.524 988 V N 2.542 122.501 119.914 0.075 0.000 2.350 988 V HA 0.394 4.514 4.120 -0.000 0.000 0.285 988 V C -2.472 173.688 176.094 0.111 0.000 1.014 988 V CA -2.939 59.395 62.300 0.056 0.000 0.831 988 V CB 1.243 33.091 31.823 0.041 0.000 1.000 988 V HN -0.119 nan 8.190 nan 0.000 0.433 989 P HA 0.059 nan 4.420 nan 0.000 0.258 989 P C -0.049 177.383 177.300 0.219 0.000 1.172 989 P CA 0.269 63.501 63.100 0.220 0.000 0.762 989 P CB 0.304 32.219 31.700 0.360 0.000 0.764 990 D N 2.871 123.333 120.400 0.104 0.000 2.403 990 D HA -0.076 4.564 4.640 -0.000 0.000 0.260 990 D C 0.708 177.029 176.300 0.035 0.000 1.243 990 D CA 0.750 54.793 54.000 0.072 0.000 0.918 990 D CB -0.057 40.765 40.800 0.037 0.000 0.939 990 D HN 0.558 nan 8.370 nan 0.000 0.507 991 E N -1.585 118.624 120.200 0.016 0.000 2.481 991 E HA 0.031 4.381 4.350 -0.000 0.000 0.198 991 E C 0.961 177.377 176.600 -0.306 0.000 1.027 991 E CA -0.085 56.219 56.400 -0.161 0.000 0.900 991 E CB 0.288 29.838 29.700 -0.251 0.000 0.993 991 E HN 0.336 nan 8.360 nan 0.000 0.482 992 W N 1.583 122.874 121.300 -0.016 0.000 3.058 992 W HA 0.212 4.872 4.660 0.000 0.000 0.306 992 W C 0.794 177.307 176.519 -0.009 0.000 1.188 992 W CA -0.549 56.788 57.345 -0.014 0.000 1.651 992 W CB 0.547 29.996 29.460 -0.019 0.000 1.051 992 W HN -0.072 nan 8.180 nan 0.000 0.592 993 E N 1.323 121.625 120.200 0.171 0.000 2.436 993 E HA 0.172 4.522 4.350 -0.000 0.000 0.262 993 E C -0.474 176.169 176.600 0.071 0.000 1.063 993 E CA 0.376 56.840 56.400 0.105 0.000 0.944 993 E CB 1.026 30.763 29.700 0.063 0.000 0.950 993 E HN -0.123 nan 8.360 nan 0.000 0.444 994 V N 0.976 120.925 119.914 0.057 0.000 3.048 994 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 994 V C -1.318 174.792 176.094 0.025 0.000 1.214 994 V CA -0.244 62.079 62.300 0.038 0.000 0.984 994 V CB 1.744 33.594 31.823 0.046 0.000 1.054 994 V HN 0.790 nan 8.190 nan 0.000 0.430 995 A N 4.648 127.477 122.820 0.016 0.000 2.409 995 A HA 0.470 4.790 4.320 -0.000 0.000 0.267 995 A C 1.105 178.692 177.584 0.005 0.000 1.127 995 A CA 0.332 52.374 52.037 0.009 0.000 0.795 995 A CB 0.146 19.149 19.000 0.005 0.000 1.061 995 A HN 1.175 nan 8.150 nan 0.000 0.502 996 R N 1.429 121.930 120.500 0.001 0.000 2.211 996 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 996 R C 1.513 177.807 176.300 -0.010 0.000 1.144 996 R CA 2.027 58.123 56.100 -0.006 0.000 0.992 996 R CB 0.026 30.319 30.300 -0.012 0.000 0.869 996 R HN 0.903 nan 8.270 nan 0.000 0.462 997 E N 0.845 121.041 120.200 -0.007 0.000 2.107 997 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 997 E C 1.215 177.811 176.600 -0.006 0.000 0.982 997 E CA 1.079 57.475 56.400 -0.008 0.000 0.809 997 E CB -0.208 29.489 29.700 -0.005 0.000 0.756 997 E HN 0.459 nan 8.360 nan 0.000 0.459 998 K N 0.230 120.629 120.400 -0.001 0.000 2.442 998 K HA 0.029 4.349 4.320 -0.000 0.000 0.198 998 K C 0.287 176.888 176.600 0.002 0.000 1.042 998 K CA 0.344 56.632 56.287 0.002 0.000 0.958 998 K CB 0.094 32.598 32.500 0.006 0.000 0.766 998 K HN 0.056 nan 8.250 nan 0.000 0.474 999 I N 1.435 122.004 120.570 -0.002 0.000 2.412 999 I HA 0.074 4.244 4.170 -0.000 0.000 0.296 999 I C 0.077 176.184 176.117 -0.017 0.000 0.987 999 I CA -0.738 60.560 61.300 -0.004 0.000 1.180 999 I CB 1.697 39.696 38.000 -0.001 0.000 1.340 999 I HN -0.065 nan 8.210 nan 0.000 0.455 1000 T N 6.113 120.658 114.554 -0.016 0.000 2.879 1000 T HA 0.666 5.016 4.350 -0.000 0.000 0.290 1000 T C -0.387 174.296 174.700 -0.029 0.000 0.993 1000 T CA -0.879 61.205 62.100 -0.027 0.000 0.975 1000 T CB 0.751 69.610 68.868 -0.015 0.000 0.981 1000 T HN 0.361 nan 8.240 nan 0.000 0.439 1001 M N 2.875 122.435 119.600 -0.067 0.000 2.283 1001 M HA 0.475 4.955 4.480 -0.000 0.000 0.314 1001 M C 0.461 176.755 176.300 -0.010 0.000 1.153 1001 M CA -0.832 54.429 55.300 -0.065 0.000 1.084 1001 M CB 1.436 33.875 32.600 -0.267 0.000 1.468 1001 M HN 0.759 nan 8.290 nan 0.000 0.474 1002 S N -0.303 115.434 115.700 0.062 0.000 3.472 1002 S HA 0.243 4.713 4.470 -0.000 0.000 0.247 1002 S C -0.145 174.525 174.600 0.116 0.000 1.084 1002 S CA -0.279 57.962 58.200 0.068 0.000 0.795 1002 S CB 0.863 64.096 63.200 0.055 0.000 0.892 1002 S HN 0.780 nan 8.310 nan 0.000 0.513 1003 R N 1.386 121.986 120.500 0.167 0.000 2.604 1003 R HA 0.551 4.891 4.340 -0.000 0.000 0.270 1003 R C -1.764 174.615 176.300 0.132 0.000 1.052 1003 R CA -0.667 55.521 56.100 0.148 0.000 0.902 1003 R CB 1.364 31.707 30.300 0.072 0.000 1.233 1003 R HN -0.008 nan 8.270 nan 0.000 0.455 1004 E N 1.802 122.013 120.200 0.019 0.000 2.413 1004 E HA -0.002 4.348 4.350 -0.000 0.000 0.263 1004 E C 0.189 176.709 176.600 -0.133 0.000 1.015 1004 E CA 0.150 56.405 56.400 -0.242 0.000 0.916 1004 E CB 0.871 30.408 29.700 -0.271 0.000 0.947 1004 E HN 0.502 nan 8.360 nan 0.000 0.440 1005 L N 1.473 122.598 121.223 -0.162 0.000 2.537 1005 L HA 0.323 4.663 4.340 -0.000 0.000 0.224 1005 L C 0.877 177.696 176.870 -0.086 0.000 1.065 1005 L CA 0.266 55.057 54.840 -0.081 0.000 0.860 1005 L CB 0.473 42.507 42.059 -0.042 0.000 1.086 1005 L HN 0.731 nan 8.230 nan 0.000 0.482 1006 G N -0.735 107.988 108.800 -0.129 0.000 2.345 1006 G HA2 0.023 3.983 3.960 -0.000 0.000 0.310 1006 G HA3 0.023 3.983 3.960 -0.000 0.000 0.310 1006 G C -1.529 173.316 174.900 -0.092 0.000 1.476 1006 G CA -0.866 44.176 45.100 -0.096 0.000 0.978 1006 G HN -0.235 nan 8.290 nan 0.000 0.656 1007 Q N -0.467 119.292 119.800 -0.069 0.000 2.386 1007 Q HA 0.497 4.837 4.340 -0.000 0.000 0.282 1007 Q C 0.713 176.696 176.000 -0.029 0.000 1.050 1007 Q CA 1.181 56.954 55.803 -0.050 0.000 0.918 1007 Q CB 1.098 29.810 28.738 -0.042 0.000 1.266 1007 Q HN 1.261 nan 8.270 nan 0.000 0.423 1008 G N -0.139 108.659 108.800 -0.004 0.000 2.574 1008 G HA2 0.381 4.341 3.960 -0.000 0.000 0.299 1008 G HA3 0.381 4.341 3.960 -0.000 0.000 0.299 1008 G C 0.687 175.602 174.900 0.025 0.000 1.298 1008 G CA -0.057 45.063 45.100 0.033 0.000 0.952 1008 G HN 0.609 nan 8.290 nan 0.000 0.477 1009 S N 0.048 115.754 115.700 0.010 0.000 2.390 1009 S HA -0.249 4.221 4.470 -0.000 0.000 0.234 1009 S C 1.447 175.867 174.600 -0.300 0.000 1.063 1009 S CA 2.095 60.181 58.200 -0.190 0.000 1.108 1009 S CB -0.434 62.614 63.200 -0.253 0.000 0.975 1009 S HN 0.431 nan 8.310 nan 0.000 0.442 1010 F N 1.669 121.706 119.950 0.144 0.000 2.706 1010 F HA 0.599 5.126 4.527 0.000 0.000 0.313 1010 F C 1.326 177.107 175.800 -0.032 0.000 1.096 1010 F CA 0.000 58.049 58.000 0.080 0.000 1.219 1010 F CB 1.088 40.195 39.000 0.179 0.000 1.051 1010 F HN 0.600 nan 8.300 nan 0.000 0.568 1011 G N -0.092 108.798 108.800 0.149 0.000 2.427 1011 G HA2 0.425 4.385 3.960 -0.000 0.000 0.306 1011 G HA3 0.425 4.385 3.960 -0.000 0.000 0.306 1011 G C -1.889 173.048 174.900 0.062 0.000 1.280 1011 G CA -0.947 44.196 45.100 0.071 0.000 0.837 1011 G HN -0.128 nan 8.290 nan 0.000 0.482 1012 M N 1.185 120.818 119.600 0.055 0.000 2.209 1012 M HA 0.668 5.148 4.480 -0.000 0.000 0.355 1012 M C -0.398 175.885 176.300 -0.028 0.000 1.171 1012 M CA -0.540 54.745 55.300 -0.026 0.000 1.069 1012 M CB 1.513 34.063 32.600 -0.082 0.000 1.622 1012 M HN 0.353 nan 8.290 nan 0.000 0.459 1013 V N 6.285 126.132 119.914 -0.111 0.000 2.546 1013 V HA 0.353 4.473 4.120 -0.000 0.000 0.284 1013 V C -0.811 175.148 176.094 -0.225 0.000 1.050 1013 V CA -0.264 62.005 62.300 -0.051 0.000 0.981 1013 V CB 0.322 32.133 31.823 -0.020 0.000 0.990 1013 V HN 0.810 nan 8.190 nan 0.000 0.474 1014 Y N 1.120 121.437 120.300 0.028 0.000 2.536 1014 Y HA 0.476 5.026 4.550 -0.000 0.000 0.347 1014 Y C 0.238 176.149 175.900 0.020 0.000 1.000 1014 Y CA -0.773 57.339 58.100 0.020 0.000 1.051 1014 Y CB 1.755 40.226 38.460 0.018 0.000 1.259 1014 Y HN 0.603 nan 8.280 nan 0.000 0.468 1015 E N 0.807 121.111 120.200 0.172 0.000 2.248 1015 E HA 0.680 5.030 4.350 -0.000 0.000 0.272 1015 E C -0.420 176.245 176.600 0.109 0.000 1.008 1015 E CA -0.281 56.183 56.400 0.108 0.000 0.856 1015 E CB 1.510 31.249 29.700 0.065 0.000 1.120 1015 E HN 0.913 nan 8.360 nan 0.000 0.397 1016 G N 0.737 109.580 108.800 0.072 0.000 2.494 1016 G HA2 0.355 4.315 3.960 -0.000 0.000 0.308 1016 G HA3 0.355 4.315 3.960 -0.000 0.000 0.308 1016 G C -1.629 173.292 174.900 0.035 0.000 1.263 1016 G CA -0.457 44.673 45.100 0.050 0.000 0.840 1016 G HN 0.419 nan 8.290 nan 0.000 0.479 1017 V N 0.505 120.433 119.914 0.024 0.000 2.531 1017 V HA 0.731 4.851 4.120 -0.000 0.000 0.301 1017 V C 0.184 176.289 176.094 0.018 0.000 1.034 1017 V CA -0.348 61.964 62.300 0.020 0.000 0.865 1017 V CB 1.277 33.109 31.823 0.015 0.000 0.995 1017 V HN 1.455 nan 8.190 nan 0.000 0.424 1018 A N 4.982 127.815 122.820 0.021 0.000 2.256 1018 A HA 0.588 4.908 4.320 -0.000 0.000 0.317 1018 A C 0.086 177.680 177.584 0.017 0.000 1.318 1018 A CA -0.666 51.383 52.037 0.021 0.000 0.894 1018 A CB 0.208 19.227 19.000 0.031 0.000 1.165 1018 A HN 0.800 nan 8.150 nan 0.000 0.525 1019 K N 1.738 122.145 120.400 0.012 0.000 2.349 1019 K HA 0.414 4.734 4.320 -0.000 0.000 0.288 1019 K C 0.902 177.507 176.600 0.008 0.000 1.058 1019 K CA 0.489 56.781 56.287 0.009 0.000 0.953 1019 K CB 0.735 33.238 32.500 0.005 0.000 0.997 1019 K HN 1.370 nan 8.250 nan 0.000 0.477 1020 G N 1.798 110.602 108.800 0.007 0.000 2.221 1020 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 1020 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 1020 G C 0.571 175.474 174.900 0.004 0.000 1.041 1020 G CA 0.417 45.519 45.100 0.003 0.000 0.807 1020 G HN 0.528 nan 8.290 nan 0.000 0.502 1021 V N -3.689 116.231 119.914 0.011 0.000 2.795 1021 V HA 0.442 4.562 4.120 -0.000 0.000 0.243 1021 V C 1.280 177.382 176.094 0.013 0.000 1.069 1021 V CA 0.937 63.247 62.300 0.016 0.000 1.089 1021 V CB 0.171 32.013 31.823 0.032 0.000 0.756 1021 V HN 0.480 nan 8.190 nan 0.000 0.471 1022 V N 1.719 121.641 119.914 0.013 0.000 2.427 1022 V HA 0.450 4.570 4.120 -0.000 0.000 0.286 1022 V C 0.015 176.109 176.094 0.000 0.000 1.034 1022 V CA -1.046 61.260 62.300 0.010 0.000 0.893 1022 V CB 1.147 32.980 31.823 0.017 0.000 0.982 1022 V HN 0.323 nan 8.190 nan 0.000 0.452 1023 K N 3.709 124.106 120.400 -0.006 0.000 2.491 1023 K HA 0.104 4.424 4.320 -0.000 0.000 0.279 1023 K C 0.461 177.056 176.600 -0.008 0.000 1.026 1023 K CA 0.675 56.955 56.287 -0.011 0.000 1.070 1023 K CB -0.287 32.203 32.500 -0.017 0.000 0.887 1023 K HN 0.775 nan 8.250 nan 0.000 0.481 1024 D N 0.958 121.353 120.400 -0.008 0.000 2.911 1024 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 1024 D C -0.718 175.581 176.300 -0.002 0.000 1.041 1024 D CA 1.016 55.012 54.000 -0.006 0.000 1.013 1024 D CB -0.730 40.066 40.800 -0.008 0.000 1.093 1024 D HN 0.685 nan 8.370 nan 0.000 0.431 1025 E N 0.212 120.412 120.200 -0.000 0.000 2.102 1025 E HA 0.224 4.574 4.350 -0.000 0.000 0.263 1025 E C -1.805 174.797 176.600 0.003 0.000 0.894 1025 E CA -1.786 54.616 56.400 0.003 0.000 0.746 1025 E CB 1.750 31.454 29.700 0.007 0.000 1.129 1025 E HN -0.100 nan 8.360 nan 0.000 0.416 1026 P HA -0.185 nan 4.420 nan 0.000 0.216 1026 P C -0.351 176.952 177.300 0.005 0.000 1.153 1026 P CA 1.474 64.575 63.100 0.002 0.000 0.858 1026 P CB 0.382 32.083 31.700 0.002 0.000 0.789 1027 E N -2.308 117.896 120.200 0.007 0.000 2.392 1027 E HA 0.566 4.916 4.350 -0.000 0.000 0.269 1027 E C -0.825 175.782 176.600 0.012 0.000 0.924 1027 E CA -0.645 55.761 56.400 0.009 0.000 0.784 1027 E CB 2.255 31.961 29.700 0.009 0.000 1.292 1027 E HN -0.248 nan 8.360 nan 0.000 0.447 1028 T N 0.715 115.278 114.554 0.015 0.000 3.012 1028 T HA 0.312 4.662 4.350 -0.000 0.000 0.330 1028 T C -0.697 174.016 174.700 0.021 0.000 1.321 1028 T CA -0.878 61.233 62.100 0.018 0.000 1.067 1028 T CB 1.468 70.349 68.868 0.022 0.000 1.235 1028 T HN 0.250 nan 8.240 nan 0.000 0.479 1029 R N 1.378 121.890 120.500 0.019 0.000 2.390 1029 R HA 0.686 5.026 4.340 -0.000 0.000 0.291 1029 R C -0.044 176.272 176.300 0.027 0.000 1.070 1029 R CA -0.516 55.596 56.100 0.021 0.000 1.014 1029 R CB 0.863 31.171 30.300 0.015 0.000 1.007 1029 R HN 0.556 nan 8.270 nan 0.000 0.466 1030 V N -1.431 118.504 119.914 0.034 0.000 3.181 1030 V HA 0.867 4.987 4.120 -0.000 0.000 0.308 1030 V C -0.944 175.181 176.094 0.052 0.000 1.214 1030 V CA -1.266 61.060 62.300 0.042 0.000 1.053 1030 V CB 1.980 33.831 31.823 0.047 0.000 1.069 1030 V HN 0.804 nan 8.190 nan 0.000 0.441 1031 A N 2.453 125.309 122.820 0.058 0.000 2.324 1031 A HA 0.911 5.231 4.320 -0.000 0.000 0.330 1031 A C -0.560 177.081 177.584 0.095 0.000 1.165 1031 A CA -0.721 51.360 52.037 0.074 0.000 0.813 1031 A CB 0.753 19.789 19.000 0.060 0.000 1.197 1031 A HN 0.922 nan 8.150 nan 0.000 0.484 1032 I N 1.428 122.077 120.570 0.131 0.000 2.436 1032 I HA 0.418 4.588 4.170 -0.000 0.000 0.289 1032 I C -0.121 176.115 176.117 0.198 0.000 1.010 1032 I CA -0.514 60.871 61.300 0.143 0.000 1.098 1032 I CB 1.447 39.517 38.000 0.116 0.000 1.266 1032 I HN 0.742 nan 8.210 nan 0.000 0.434 1033 K N 4.146 124.653 120.400 0.177 0.000 2.159 1033 K HA 0.534 4.854 4.320 -0.000 0.000 0.266 1033 K C -0.224 176.467 176.600 0.152 0.000 0.975 1033 K CA -0.333 56.074 56.287 0.199 0.000 0.865 1033 K CB 1.345 33.994 32.500 0.247 0.000 1.087 1033 K HN 0.790 nan 8.250 nan 0.000 0.446 1034 T N 0.337 114.981 114.554 0.151 0.000 2.772 1034 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 1034 T C -0.323 174.362 174.700 -0.025 0.000 0.994 1034 T CA -0.897 61.241 62.100 0.063 0.000 0.951 1034 T CB 0.811 69.745 68.868 0.109 0.000 0.933 1034 T HN 0.168 nan 8.240 nan 0.000 0.447 1035 V N 5.549 125.370 119.914 -0.155 0.000 2.432 1035 V HA 0.383 4.503 4.120 -0.000 0.000 0.275 1035 V C 0.942 176.958 176.094 -0.130 0.000 1.043 1035 V CA -1.144 61.014 62.300 -0.237 0.000 0.925 1035 V CB 0.372 31.892 31.823 -0.505 0.000 0.985 1035 V HN 1.029 nan 8.190 nan 0.000 0.466 1036 N N 3.366 122.018 118.700 -0.080 0.000 2.418 1036 N HA 0.187 4.927 4.740 -0.000 0.000 0.283 1036 N C 0.755 176.235 175.510 -0.051 0.000 1.267 1036 N CA -0.398 52.625 53.050 -0.046 0.000 0.975 1036 N CB 1.312 39.789 38.487 -0.017 0.000 1.167 1036 N HN 0.639 nan 8.380 nan 0.000 0.581 1037 E N -0.171 120.010 120.200 -0.031 0.000 2.017 1037 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 1037 E C 0.605 177.193 176.600 -0.020 0.000 0.997 1037 E CA 1.276 57.662 56.400 -0.025 0.000 0.804 1037 E CB -0.369 29.323 29.700 -0.013 0.000 0.757 1037 E HN 0.723 nan 8.360 nan 0.000 0.448 1038 A N 0.688 123.501 122.820 -0.012 0.000 3.029 1038 A HA 0.267 4.587 4.320 -0.000 0.000 0.256 1038 A C -0.156 177.423 177.584 -0.008 0.000 1.913 1038 A CA 0.807 52.840 52.037 -0.007 0.000 1.493 1038 A CB -0.794 18.204 19.000 -0.002 0.000 0.918 1038 A HN 0.200 nan 8.150 nan 0.000 0.616 1039 A N 0.997 123.808 122.820 -0.014 0.000 2.446 1039 A HA 0.601 4.921 4.320 -0.000 0.000 0.282 1039 A C 0.327 177.905 177.584 -0.009 0.000 1.102 1039 A CA -0.083 51.948 52.037 -0.009 0.000 0.737 1039 A CB 0.265 19.245 19.000 -0.033 0.000 1.212 1039 A HN 1.162 nan 8.150 nan 0.000 0.434 1040 S N 2.578 118.283 115.700 0.007 0.000 2.553 1040 S HA -0.018 4.452 4.470 -0.000 0.000 0.293 1040 S C 1.316 175.913 174.600 -0.006 0.000 1.296 1040 S CA 0.508 58.712 58.200 0.007 0.000 1.046 1040 S CB 0.046 63.257 63.200 0.018 0.000 0.810 1040 S HN 0.977 nan 8.310 nan 0.000 0.505 1041 M N 1.834 121.431 119.600 -0.006 0.000 2.108 1041 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 1041 M C 2.465 178.742 176.300 -0.038 0.000 1.066 1041 M CA 1.578 56.867 55.300 -0.018 0.000 1.107 1041 M CB -0.231 32.375 32.600 0.009 0.000 1.356 1041 M HN 0.778 nan 8.290 nan 0.000 0.406 1042 R N 0.314 120.804 120.500 -0.016 0.000 2.136 1042 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 1042 R C 2.060 178.351 176.300 -0.014 0.000 1.131 1042 R CA 2.463 58.553 56.100 -0.017 0.000 0.937 1042 R CB -0.679 29.627 30.300 0.010 0.000 0.863 1042 R HN 0.590 nan 8.270 nan 0.000 0.435 1043 E N -0.302 119.915 120.200 0.029 0.000 2.058 1043 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 1043 E C 2.139 178.736 176.600 -0.004 0.000 0.997 1043 E CA 1.093 57.553 56.400 0.101 0.000 0.801 1043 E CB -0.185 29.607 29.700 0.152 0.000 0.746 1043 E HN 0.261 nan 8.360 nan 0.000 0.450 1044 R N 0.608 121.061 120.500 -0.080 0.000 2.148 1044 R HA -0.075 4.265 4.340 -0.000 0.000 0.227 1044 R C 2.292 178.479 176.300 -0.188 0.000 1.103 1044 R CA 0.659 56.659 56.100 -0.166 0.000 0.983 1044 R CB 0.011 30.218 30.300 -0.156 0.000 0.874 1044 R HN 0.163 nan 8.270 nan 0.000 0.451 1045 I N 0.158 120.588 120.570 -0.233 0.000 2.277 1045 I HA -0.202 3.968 4.170 -0.000 0.000 0.243 1045 I C 2.451 178.367 176.117 -0.335 0.000 1.094 1045 I CA 1.098 62.135 61.300 -0.437 0.000 1.393 1045 I CB -0.569 37.117 38.000 -0.523 0.000 1.078 1045 I HN 0.339 nan 8.210 nan 0.000 0.417 1046 E N 1.405 121.488 120.200 -0.195 0.000 2.049 1046 E HA -0.311 4.039 4.350 -0.000 0.000 0.198 1046 E C 2.276 178.733 176.600 -0.237 0.000 1.007 1046 E CA 1.854 58.173 56.400 -0.135 0.000 0.809 1046 E CB -0.253 29.453 29.700 0.009 0.000 0.749 1046 E HN 0.408 nan 8.360 nan 0.000 0.450 1047 F N 0.644 120.225 119.950 -0.615 0.000 2.154 1047 F HA -0.245 4.282 4.527 -0.000 0.000 0.301 1047 F C 1.976 177.443 175.800 -0.556 0.000 1.087 1047 F CA 1.008 58.386 58.000 -1.036 0.000 1.274 1047 F CB -0.028 38.142 39.000 -1.383 0.000 1.009 1047 F HN 0.099 nan 8.300 nan 0.000 0.485 1048 L N 0.483 121.623 121.223 -0.138 0.000 2.179 1048 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 1048 L C 1.887 178.615 176.870 -0.237 0.000 1.096 1048 L CA 1.546 56.303 54.840 -0.139 0.000 0.779 1048 L CB -1.427 40.585 42.059 -0.078 0.000 0.922 1048 L HN 0.167 nan 8.230 nan 0.000 0.443 1049 N N -0.928 117.628 118.700 -0.241 0.000 2.216 1049 N HA -0.197 4.543 4.740 -0.000 0.000 0.183 1049 N C 1.761 177.137 175.510 -0.223 0.000 1.017 1049 N CA 0.868 53.804 53.050 -0.190 0.000 0.861 1049 N CB 0.098 38.499 38.487 -0.144 0.000 0.986 1049 N HN 0.384 nan 8.380 nan 0.000 0.428 1050 E N 0.753 120.794 120.200 -0.265 0.000 2.077 1050 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 1050 E C 1.735 178.144 176.600 -0.319 0.000 0.989 1050 E CA 1.166 57.414 56.400 -0.253 0.000 0.800 1050 E CB -0.047 29.505 29.700 -0.248 0.000 0.746 1050 E HN 0.385 nan 8.360 nan 0.000 0.452 1051 A N 0.193 122.754 122.820 -0.432 0.000 2.066 1051 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 1051 A C 2.254 179.558 177.584 -0.466 0.000 1.157 1051 A CA 1.201 52.974 52.037 -0.440 0.000 0.670 1051 A CB -0.238 18.474 19.000 -0.480 0.000 0.804 1051 A HN 0.251 nan 8.150 nan 0.000 0.453 1052 S N -0.467 114.991 115.700 -0.405 0.000 2.423 1052 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 1052 S C 1.738 176.084 174.600 -0.422 0.000 1.014 1052 S CA 1.297 59.255 58.200 -0.404 0.000 0.965 1052 S CB -0.175 62.880 63.200 -0.242 0.000 0.785 1052 S HN 0.386 nan 8.310 nan 0.000 0.495 1053 V N 2.157 121.816 119.914 -0.425 0.000 2.591 1053 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 1053 V C 2.208 177.703 176.094 -0.998 0.000 1.053 1053 V CA 1.136 63.094 62.300 -0.570 0.000 1.068 1053 V CB -0.623 30.946 31.823 -0.424 0.000 0.689 1053 V HN 0.490 nan 8.190 nan 0.000 0.462 1054 M N 0.631 119.791 119.600 -0.734 0.000 2.065 1054 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 1054 M C 2.662 178.598 176.300 -0.608 0.000 1.071 1054 M CA 2.692 57.604 55.300 -0.647 0.000 1.109 1054 M CB -1.285 31.148 32.600 -0.278 0.000 1.313 1054 M HN 0.407 nan 8.290 nan 0.000 0.408 1055 K N 1.134 121.181 120.400 -0.587 0.000 2.163 1055 K HA -0.351 3.969 4.320 -0.000 0.000 0.222 1055 K C 1.601 178.189 176.600 -0.021 0.000 0.990 1055 K CA 2.991 58.998 56.287 -0.466 0.000 0.959 1055 K CB -2.183 29.951 32.500 -0.610 0.000 0.882 1055 K HN 0.663 nan 8.250 nan 0.000 0.472 1056 E N -0.531 119.492 120.200 -0.295 0.000 2.097 1056 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 1056 E C 0.339 176.894 176.600 -0.076 0.000 1.000 1056 E CA 1.145 57.405 56.400 -0.234 0.000 0.804 1056 E CB -0.332 29.115 29.700 -0.423 0.000 0.740 1056 E HN 0.612 nan 8.360 nan 0.000 0.454 1057 F N 1.304 121.238 119.950 -0.027 0.000 2.494 1057 F HA 0.193 4.720 4.527 -0.000 0.000 0.369 1057 F C 0.254 176.140 175.800 0.143 0.000 1.098 1057 F CA -0.245 57.839 58.000 0.139 0.000 1.154 1057 F CB -0.266 38.714 39.000 -0.035 0.000 1.103 1057 F HN 0.018 nan 8.300 nan 0.000 0.549 1058 N N 3.118 122.027 118.700 0.349 0.000 2.851 1058 N HA 0.381 5.121 4.740 -0.000 0.000 0.248 1058 N C -1.583 173.811 175.510 -0.193 0.000 1.221 1058 N CA -0.234 52.877 53.050 0.102 0.000 0.847 1058 N CB 0.388 38.945 38.487 0.117 0.000 1.150 1058 N HN 0.670 nan 8.380 nan 0.000 0.507 1059 C N 2.047 121.140 119.300 -0.344 0.000 2.561 1059 C HA 0.365 4.825 4.460 -0.000 0.000 0.319 1059 C C 1.701 176.568 174.990 -0.205 0.000 1.198 1059 C CA -0.458 58.242 59.018 -0.529 0.000 1.665 1059 C CB 0.877 28.065 27.740 -0.920 0.000 2.258 1059 C HN 0.904 nan 8.230 nan 0.000 0.493 1060 H N 1.291 120.177 119.070 -0.306 0.000 2.421 1060 H HA -0.039 4.517 4.556 0.000 0.000 0.298 1060 H C 1.128 176.262 175.328 -0.324 0.000 1.087 1060 H CA 2.266 58.111 56.048 -0.339 0.000 1.330 1060 H CB -0.103 29.365 29.762 -0.489 0.000 1.388 1060 H HN 0.868 nan 8.280 nan 0.000 0.526 1061 H N -1.299 117.701 119.070 -0.117 0.000 2.505 1061 H HA 0.361 4.917 4.556 -0.000 0.000 0.289 1061 H C -0.585 174.700 175.328 -0.071 0.000 1.052 1061 H CA -0.209 55.767 56.048 -0.120 0.000 1.156 1061 H CB 0.683 30.440 29.762 -0.007 0.000 1.507 1061 H HN 0.007 nan 8.280 nan 0.000 0.548 1062 V N 1.661 121.579 119.914 0.007 0.000 2.487 1062 V HA 0.114 4.234 4.120 -0.000 0.000 0.298 1062 V C -0.058 176.089 176.094 0.088 0.000 1.028 1062 V CA -1.084 61.272 62.300 0.094 0.000 0.860 1062 V CB 2.303 34.191 31.823 0.108 0.000 0.991 1062 V HN 0.006 nan 8.190 nan 0.000 0.427 1063 V N 5.970 125.955 119.914 0.119 0.000 2.458 1063 V HA 0.134 4.254 4.120 -0.000 0.000 0.287 1063 V C 0.657 176.833 176.094 0.137 0.000 1.009 1063 V CA 0.038 62.392 62.300 0.090 0.000 1.091 1063 V CB -0.087 31.776 31.823 0.067 0.000 0.960 1063 V HN 0.974 nan 8.190 nan 0.000 0.476 1064 R N 5.321 125.880 120.500 0.097 0.000 2.474 1064 R HA 0.656 4.996 4.340 -0.000 0.000 0.295 1064 R C -0.690 175.672 176.300 0.103 0.000 0.980 1064 R CA -0.836 55.332 56.100 0.113 0.000 0.934 1064 R CB 1.238 31.599 30.300 0.101 0.000 1.101 1064 R HN 0.649 nan 8.270 nan 0.000 0.469 1065 L N 4.662 125.945 121.223 0.100 0.000 2.360 1065 L HA 0.133 4.473 4.340 -0.000 0.000 0.276 1065 L C 0.345 177.331 176.870 0.193 0.000 1.121 1065 L CA -0.139 54.751 54.840 0.083 0.000 0.845 1065 L CB 0.706 42.725 42.059 -0.067 0.000 1.143 1065 L HN 0.867 nan 8.230 nan 0.000 0.452 1066 L N 4.634 125.954 121.223 0.162 0.000 2.408 1066 L HA 0.439 4.779 4.340 -0.000 0.000 0.215 1066 L C 0.848 177.854 176.870 0.227 0.000 1.081 1066 L CA 0.420 55.363 54.840 0.172 0.000 0.840 1066 L CB 0.034 42.156 42.059 0.105 0.000 1.002 1066 L HN 0.818 nan 8.230 nan 0.000 0.468 1067 G N -0.472 108.464 108.800 0.227 0.000 2.339 1067 G HA2 0.309 4.269 3.960 -0.000 0.000 0.302 1067 G HA3 0.309 4.269 3.960 -0.000 0.000 0.302 1067 G C -2.102 172.890 174.900 0.153 0.000 1.425 1067 G CA -0.086 45.172 45.100 0.263 0.000 0.899 1067 G HN -0.190 nan 8.290 nan 0.000 0.619 1068 V N -0.124 119.881 119.914 0.152 0.000 2.525 1068 V HA 0.717 4.837 4.120 -0.000 0.000 0.299 1068 V C -0.393 175.749 176.094 0.080 0.000 1.034 1068 V CA -0.774 61.581 62.300 0.092 0.000 0.863 1068 V CB 1.439 33.295 31.823 0.055 0.000 0.999 1068 V HN 1.105 nan 8.190 nan 0.000 0.423 1069 V N 7.083 127.029 119.914 0.054 0.000 2.421 1069 V HA 0.236 4.356 4.120 -0.000 0.000 0.271 1069 V C 1.450 177.554 176.094 0.016 0.000 1.031 1069 V CA 0.993 63.313 62.300 0.032 0.000 1.032 1069 V CB 0.567 32.401 31.823 0.018 0.000 1.009 1069 V HN 1.160 nan 8.190 nan 0.000 0.477 1070 S N 3.245 118.953 115.700 0.012 0.000 2.497 1070 S HA 0.141 4.611 4.470 -0.000 0.000 0.221 1070 S C 0.637 175.220 174.600 -0.029 0.000 1.037 1070 S CA -0.303 57.892 58.200 -0.009 0.000 0.920 1070 S CB 0.083 63.281 63.200 -0.003 0.000 0.800 1070 S HN 0.723 nan 8.310 nan 0.000 0.505 1071 Q N 1.664 121.455 119.800 -0.015 0.000 2.377 1071 Q HA 0.640 4.980 4.340 -0.000 0.000 0.249 1071 Q C 0.009 176.001 176.000 -0.013 0.000 1.005 1071 Q CA -0.119 55.675 55.803 -0.015 0.000 0.912 1071 Q CB 1.110 29.847 28.738 -0.001 0.000 1.223 1071 Q HN 0.616 nan 8.270 nan 0.000 0.459 1072 G N 0.971 109.760 108.800 -0.018 0.000 2.320 1072 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.297 1072 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.297 1072 G C -0.285 174.602 174.900 -0.023 0.000 1.344 1072 G CA -0.553 44.536 45.100 -0.018 0.000 0.851 1072 G HN 0.351 nan 8.290 nan 0.000 0.567 1073 Q N -0.790 118.997 119.800 -0.023 0.000 2.036 1073 Q HA 0.129 4.469 4.340 -0.000 0.000 0.195 1073 Q C -1.502 174.477 176.000 -0.034 0.000 0.971 1073 Q CA 1.143 56.932 55.803 -0.023 0.000 0.826 1073 Q CB -0.869 27.858 28.738 -0.018 0.000 0.896 1073 Q HN 0.464 nan 8.270 nan 0.000 0.449 1074 P HA 0.220 nan 4.420 nan 0.000 0.294 1074 P C -1.044 176.222 177.300 -0.057 0.000 1.389 1074 P CA -0.124 62.946 63.100 -0.050 0.000 0.875 1074 P CB 0.837 32.513 31.700 -0.041 0.000 1.018 1075 T N 4.502 119.008 114.554 -0.079 0.000 2.800 1075 T HA 0.042 4.392 4.350 -0.000 0.000 0.283 1075 T C 0.559 175.228 174.700 -0.052 0.000 0.999 1075 T CA 0.454 62.510 62.100 -0.075 0.000 1.176 1075 T CB -0.187 68.609 68.868 -0.120 0.000 0.973 1075 T HN 0.226 nan 8.240 nan 0.000 0.519 1076 L N 3.899 125.117 121.223 -0.009 0.000 2.295 1076 L HA 0.553 4.893 4.340 -0.000 0.000 0.285 1076 L C -0.144 176.767 176.870 0.069 0.000 1.035 1076 L CA -1.040 53.816 54.840 0.026 0.000 0.806 1076 L CB 1.464 43.532 42.059 0.016 0.000 1.214 1076 L HN 0.362 nan 8.230 nan 0.000 0.426 1077 V N 4.504 124.488 119.914 0.116 0.000 2.459 1077 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 1077 V C -0.017 176.138 176.094 0.103 0.000 1.029 1077 V CA -0.414 61.963 62.300 0.129 0.000 0.874 1077 V CB 2.020 33.967 31.823 0.206 0.000 0.985 1077 V HN 0.511 nan 8.190 nan 0.000 0.438 1078 I N 5.547 126.167 120.570 0.084 0.000 2.405 1078 I HA 0.400 4.570 4.170 -0.000 0.000 0.280 1078 I C -0.164 175.999 176.117 0.076 0.000 1.027 1078 I CA -0.063 61.284 61.300 0.079 0.000 1.161 1078 I CB 0.998 39.044 38.000 0.075 0.000 1.300 1078 I HN 0.405 nan 8.210 nan 0.000 0.463 1079 M N 3.949 123.590 119.600 0.070 0.000 2.528 1079 M HA 0.320 4.800 4.480 -0.000 0.000 0.318 1079 M C 0.248 176.583 176.300 0.057 0.000 1.195 1079 M CA -0.586 54.752 55.300 0.063 0.000 1.000 1079 M CB 1.589 34.223 32.600 0.056 0.000 1.615 1079 M HN 0.498 nan 8.290 nan 0.000 0.469 1080 E N 2.055 122.288 120.200 0.054 0.000 2.417 1080 E HA 0.066 4.416 4.350 -0.000 0.000 0.261 1080 E C -1.039 175.578 176.600 0.029 0.000 1.000 1080 E CA -0.174 56.251 56.400 0.042 0.000 0.919 1080 E CB 0.641 30.365 29.700 0.040 0.000 0.955 1080 E HN 0.545 nan 8.360 nan 0.000 0.455 1081 L N 5.874 127.111 121.223 0.023 0.000 2.418 1081 L HA 0.073 4.413 4.340 -0.000 0.000 0.274 1081 L C -0.386 176.479 176.870 -0.007 0.000 1.135 1081 L CA 0.021 54.869 54.840 0.013 0.000 0.870 1081 L CB 0.484 42.551 42.059 0.014 0.000 1.154 1081 L HN 0.760 nan 8.230 nan 0.000 0.462 1082 M N 5.093 124.684 119.600 -0.015 0.000 2.385 1082 M HA 0.114 4.594 4.480 -0.000 0.000 0.346 1082 M C 1.365 177.634 176.300 -0.052 0.000 1.180 1082 M CA -0.337 54.938 55.300 -0.041 0.000 1.154 1082 M CB 0.370 32.946 32.600 -0.040 0.000 1.251 1082 M HN 0.626 nan 8.290 nan 0.000 0.430 1083 T N -0.555 113.959 114.554 -0.067 0.000 2.869 1083 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 1083 T C 1.317 175.974 174.700 -0.072 0.000 1.082 1083 T CA 1.222 63.283 62.100 -0.066 0.000 1.123 1083 T CB -0.045 68.774 68.868 -0.081 0.000 0.856 1083 T HN 0.620 nan 8.240 nan 0.000 0.499 1084 R N 1.197 121.633 120.500 -0.106 0.000 2.427 1084 R HA 0.437 4.777 4.340 -0.000 0.000 0.262 1084 R C 1.542 177.832 176.300 -0.017 0.000 0.943 1084 R CA 0.154 56.205 56.100 -0.082 0.000 1.081 1084 R CB 0.008 30.187 30.300 -0.201 0.000 1.166 1084 R HN 0.577 nan 8.270 nan 0.000 0.534 1085 G N 2.504 111.291 108.800 -0.021 0.000 2.645 1085 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 1085 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 1085 G C -0.548 174.357 174.900 0.008 0.000 1.322 1085 G CA -0.097 45.005 45.100 0.003 0.000 0.898 1085 G HN 0.487 nan 8.290 nan 0.000 0.573 1086 D N -0.177 120.238 120.400 0.024 0.000 2.344 1086 D HA 0.271 4.911 4.640 -0.000 0.000 0.244 1086 D C 1.658 178.001 176.300 0.071 0.000 1.134 1086 D CA -0.286 53.727 54.000 0.022 0.000 0.930 1086 D CB 1.421 42.225 40.800 0.008 0.000 1.175 1086 D HN 0.554 nan 8.370 nan 0.000 0.437 1087 L N 1.191 122.449 121.223 0.060 0.000 2.131 1087 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 1087 L C 2.241 179.210 176.870 0.166 0.000 1.092 1087 L CA 1.674 56.586 54.840 0.119 0.000 0.759 1087 L CB -0.849 41.255 42.059 0.075 0.000 0.903 1087 L HN 0.521 nan 8.230 nan 0.000 0.435 1088 K N -1.033 119.432 120.400 0.110 0.000 2.025 1088 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 1088 K C 2.003 178.665 176.600 0.104 0.000 1.049 1088 K CA 1.613 57.966 56.287 0.110 0.000 0.933 1088 K CB -0.029 32.522 32.500 0.086 0.000 0.714 1088 K HN 0.383 nan 8.250 nan 0.000 0.438 1089 S N 0.182 115.941 115.700 0.099 0.000 2.402 1089 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 1089 S C 1.604 176.263 174.600 0.100 0.000 1.021 1089 S CA 1.039 59.288 58.200 0.082 0.000 0.974 1089 S CB -0.420 62.823 63.200 0.071 0.000 0.800 1089 S HN 0.414 nan 8.310 nan 0.000 0.484 1090 Y N 2.572 122.892 120.300 0.035 0.000 2.114 1090 Y HA -0.089 4.461 4.550 0.000 0.000 0.284 1090 Y C 1.866 177.794 175.900 0.046 0.000 1.143 1090 Y CA 1.224 59.353 58.100 0.049 0.000 1.135 1090 Y CB -0.676 37.822 38.460 0.063 0.000 0.980 1090 Y HN 0.101 nan 8.280 nan 0.000 0.499 1091 L N 0.013 121.233 121.223 -0.006 0.000 2.021 1091 L HA -0.317 4.023 4.340 -0.000 0.000 0.215 1091 L C 2.739 179.523 176.870 -0.144 0.000 1.074 1091 L CA 1.592 56.369 54.840 -0.105 0.000 0.760 1091 L CB -0.612 41.473 42.059 0.043 0.000 0.889 1091 L HN 0.171 nan 8.230 nan 0.000 0.433 1092 R N 0.006 120.468 120.500 -0.064 0.000 2.105 1092 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 1092 R C 2.540 178.786 176.300 -0.090 0.000 1.135 1092 R CA 1.673 57.741 56.100 -0.053 0.000 0.967 1092 R CB -0.874 29.422 30.300 -0.006 0.000 0.861 1092 R HN 0.561 nan 8.270 nan 0.000 0.442 1093 S N 0.408 116.031 115.700 -0.127 0.000 2.469 1093 S HA -0.045 4.425 4.470 -0.000 0.000 0.238 1093 S C 1.938 176.441 174.600 -0.161 0.000 0.998 1093 S CA 0.703 58.828 58.200 -0.124 0.000 0.957 1093 S CB -0.308 62.830 63.200 -0.103 0.000 0.764 1093 S HN 0.276 nan 8.310 nan 0.000 0.514 1094 L N 0.515 121.600 121.223 -0.231 0.000 2.554 1094 L HA 0.189 4.529 4.340 -0.000 0.000 0.226 1094 L C 1.093 177.887 176.870 -0.126 0.000 1.137 1094 L CA 0.033 54.752 54.840 -0.203 0.000 0.863 1094 L CB -0.234 41.670 42.059 -0.258 0.000 0.985 1094 L HN 0.209 nan 8.230 nan 0.000 0.451 1095 R N 1.034 121.472 120.500 -0.103 0.000 2.531 1095 R HA 0.145 4.485 4.340 -0.000 0.000 0.273 1095 R C -1.380 174.885 176.300 -0.058 0.000 1.070 1095 R CA -1.529 54.526 56.100 -0.075 0.000 1.112 1095 R CB -0.083 30.180 30.300 -0.061 0.000 1.049 1095 R HN -0.148 nan 8.270 nan 0.000 0.508 1096 P HA -0.086 nan 4.420 nan 0.000 0.244 1096 P C -0.051 177.231 177.300 -0.031 0.000 1.211 1096 P CA 0.588 63.665 63.100 -0.039 0.000 0.760 1096 P CB 0.282 31.959 31.700 -0.037 0.000 0.961 1097 E N -1.772 118.410 120.200 -0.030 0.000 3.211 1097 E HA -0.336 4.014 4.350 -0.000 0.000 0.393 1097 E C 1.057 177.645 176.600 -0.019 0.000 1.515 1097 E CA 2.399 58.786 56.400 -0.022 0.000 1.385 1097 E CB -1.838 27.852 29.700 -0.018 0.000 1.616 1097 E HN 0.243 nan 8.360 nan 0.000 0.489 1103 V N -2.567 117.322 119.914 -0.043 0.000 6.016 1103 V HA 0.330 4.450 4.120 -0.000 0.000 0.265 1103 V C 0.897 176.958 176.094 -0.055 0.000 0.621 1103 V CA 1.896 64.167 62.300 -0.048 0.000 0.592 1103 V CB -2.292 29.506 31.823 -0.041 0.000 0.298 1103 V HN 2.291 nan 8.190 nan 0.000 0.615 1104 L N 1.868 123.052 121.223 -0.065 0.000 2.331 1104 L HA 1.007 5.347 4.340 -0.000 0.000 0.278 1104 L C 0.800 177.620 176.870 -0.083 0.000 1.106 1104 L CA 0.007 54.803 54.840 -0.073 0.000 0.824 1104 L CB 0.894 42.904 42.059 -0.082 0.000 1.142 1104 L HN 2.519 nan 8.230 nan 0.000 0.443 1105 A N 4.860 127.633 122.820 -0.078 0.000 2.305 1105 A HA 0.885 5.205 4.320 -0.000 0.000 0.322 1105 A C -1.874 175.658 177.584 -0.087 0.000 1.187 1105 A CA -1.470 50.519 52.037 -0.080 0.000 0.825 1105 A CB 0.190 19.150 19.000 -0.066 0.000 1.164 1105 A HN 0.849 nan 8.150 nan 0.000 0.498 1106 P HA 0.364 nan 4.420 nan 0.000 0.275 1106 P C -2.578 174.677 177.300 -0.075 0.000 1.270 1106 P CA -0.997 62.047 63.100 -0.094 0.000 0.791 1106 P CB -0.666 30.973 31.700 -0.102 0.000 1.089 1107 P HA 0.038 nan 4.420 nan 0.000 0.271 1107 P C -0.038 177.232 177.300 -0.049 0.000 1.244 1107 P CA -0.082 62.988 63.100 -0.049 0.000 0.793 1107 P CB -0.047 31.640 31.700 -0.022 0.000 0.984 1108 S N 0.294 115.967 115.700 -0.046 0.000 2.568 1108 S HA 0.028 4.498 4.470 -0.000 0.000 0.282 1108 S C 1.360 175.936 174.600 -0.040 0.000 1.338 1108 S CA -0.634 57.540 58.200 -0.043 0.000 1.045 1108 S CB -0.092 63.084 63.200 -0.041 0.000 0.873 1108 S HN 0.454 nan 8.310 nan 0.000 0.516 1109 L N 1.557 122.757 121.223 -0.039 0.000 2.081 1109 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 1109 L C 2.696 179.544 176.870 -0.036 0.000 1.080 1109 L CA 2.066 56.883 54.840 -0.037 0.000 0.754 1109 L CB -0.779 41.260 42.059 -0.033 0.000 0.893 1109 L HN 0.982 nan 8.230 nan 0.000 0.433 1110 S N -0.546 115.133 115.700 -0.034 0.000 2.348 1110 S HA -0.192 4.278 4.470 -0.000 0.000 0.221 1110 S C 1.960 176.539 174.600 -0.035 0.000 1.033 1110 S CA 1.249 59.429 58.200 -0.034 0.000 1.010 1110 S CB -0.014 63.168 63.200 -0.030 0.000 0.891 1110 S HN 0.337 nan 8.310 nan 0.000 0.442 1111 K N 0.850 121.230 120.400 -0.033 0.000 2.074 1111 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 1111 K C 2.132 178.721 176.600 -0.018 0.000 1.048 1111 K CA 1.533 57.804 56.287 -0.027 0.000 0.926 1111 K CB -0.683 31.799 32.500 -0.030 0.000 0.713 1111 K HN 0.491 nan 8.250 nan 0.000 0.444 1112 M N 0.150 119.735 119.600 -0.024 0.000 2.099 1112 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 1112 M C 2.272 178.553 176.300 -0.033 0.000 1.067 1112 M CA 1.335 56.620 55.300 -0.025 0.000 1.124 1112 M CB -0.342 32.236 32.600 -0.038 0.000 1.353 1112 M HN 0.018 nan 8.290 nan 0.000 0.410 1113 I N 0.015 120.560 120.570 -0.042 0.000 2.194 1113 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 1113 I C 2.586 178.659 176.117 -0.074 0.000 1.093 1113 I CA 1.441 62.709 61.300 -0.054 0.000 1.355 1113 I CB -0.589 37.374 38.000 -0.062 0.000 1.046 1113 I HN 0.381 nan 8.210 nan 0.000 0.413 1114 Q N 1.029 120.788 119.800 -0.068 0.000 2.014 1114 Q HA -0.224 4.116 4.340 -0.000 0.000 0.207 1114 Q C 2.230 178.192 176.000 -0.064 0.000 0.993 1114 Q CA 2.096 57.853 55.803 -0.076 0.000 0.850 1114 Q CB -0.287 28.435 28.738 -0.028 0.000 0.916 1114 Q HN 0.432 nan 8.270 nan 0.000 0.417 1115 M N -0.944 118.641 119.600 -0.024 0.000 2.108 1115 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 1115 M C 2.171 178.477 176.300 0.010 0.000 1.066 1115 M CA 1.584 56.880 55.300 -0.006 0.000 1.107 1115 M CB -0.537 32.071 32.600 0.013 0.000 1.356 1115 M HN 0.301 nan 8.290 nan 0.000 0.406 1116 A N 0.644 123.475 122.820 0.017 0.000 1.902 1116 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 1116 A C 2.384 180.091 177.584 0.204 0.000 1.181 1116 A CA 1.927 54.041 52.037 0.129 0.000 0.623 1116 A CB -1.363 17.684 19.000 0.079 0.000 0.818 1116 A HN 0.557 nan 8.150 nan 0.000 0.443 1117 G N -0.811 107.981 108.800 -0.014 0.000 2.430 1117 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.216 1117 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.216 1117 G C 1.407 176.205 174.900 -0.171 0.000 1.146 1117 G CA 0.779 45.788 45.100 -0.151 0.000 0.793 1117 G HN 0.630 nan 8.290 nan 0.000 0.537 1118 E N 0.143 120.226 120.200 -0.196 0.000 2.072 1118 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 1118 E C 2.474 178.929 176.600 -0.241 0.000 0.985 1118 E CA 0.529 56.702 56.400 -0.378 0.000 0.801 1118 E CB -0.107 29.436 29.700 -0.262 0.000 0.750 1118 E HN 0.446 nan 8.360 nan 0.000 0.452 1119 I N 1.308 121.854 120.570 -0.039 0.000 2.179 1119 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 1119 I C 2.645 178.724 176.117 -0.063 0.000 1.088 1119 I CA 0.993 62.317 61.300 0.041 0.000 1.357 1119 I CB -0.445 37.691 38.000 0.226 0.000 1.051 1119 I HN 0.072 nan 8.210 nan 0.000 0.409 1120 A N 0.539 123.317 122.820 -0.070 0.000 1.908 1120 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 1120 A C 1.969 179.420 177.584 -0.222 0.000 1.181 1120 A CA 2.488 54.301 52.037 -0.372 0.000 0.627 1120 A CB -0.851 17.983 19.000 -0.277 0.000 0.818 1120 A HN 0.461 nan 8.150 nan 0.000 0.445 1121 D N -0.826 119.568 120.400 -0.009 0.000 2.092 1121 D HA -0.078 4.562 4.640 -0.000 0.000 0.193 1121 D C 2.047 178.410 176.300 0.106 0.000 0.994 1121 D CA 1.907 56.022 54.000 0.190 0.000 0.828 1121 D CB -0.502 40.515 40.800 0.361 0.000 0.963 1121 D HN 0.317 nan 8.370 nan 0.000 0.450 1122 G N -0.213 108.613 108.800 0.043 0.000 2.450 1122 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 1122 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 1122 G C 1.494 176.325 174.900 -0.115 0.000 1.130 1122 G CA 0.770 45.880 45.100 0.016 0.000 0.760 1122 G HN 0.202 nan 8.290 nan 0.000 0.557 1123 M N 0.819 120.218 119.600 -0.335 0.000 2.288 1123 M HA 0.187 4.667 4.480 -0.000 0.000 0.266 1123 M C 2.965 179.003 176.300 -0.437 0.000 1.072 1123 M CA 0.974 55.906 55.300 -0.613 0.000 1.132 1123 M CB -0.960 30.683 32.600 -1.596 0.000 1.386 1123 M HN 0.308 nan 8.290 nan 0.000 0.432 1124 A N -0.724 121.943 122.820 -0.254 0.000 1.930 1124 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 1124 A C 2.114 179.559 177.584 -0.232 0.000 1.175 1124 A CA 1.279 53.347 52.037 0.052 0.000 0.627 1124 A CB -1.032 18.169 19.000 0.335 0.000 0.815 1124 A HN 0.474 nan 8.150 nan 0.000 0.443 1125 Y N 0.441 120.323 120.300 -0.696 0.000 2.114 1125 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 1125 Y C 2.080 177.668 175.900 -0.520 0.000 1.143 1125 Y CA 1.550 58.993 58.100 -1.094 0.000 1.135 1125 Y CB -0.354 37.643 38.460 -0.771 0.000 0.980 1125 Y HN 0.182 nan 8.280 nan 0.000 0.499 1126 L N 0.588 121.568 121.223 -0.406 0.000 1.978 1126 L HA -0.356 3.984 4.340 -0.000 0.000 0.218 1126 L C 2.067 178.867 176.870 -0.118 0.000 1.075 1126 L CA 2.520 57.155 54.840 -0.342 0.000 0.767 1126 L CB -1.127 40.812 42.059 -0.200 0.000 0.890 1126 L HN 0.459 nan 8.230 nan 0.000 0.434 1127 N N -0.726 117.947 118.700 -0.045 0.000 2.223 1127 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 1127 N C 1.805 177.312 175.510 -0.006 0.000 1.016 1127 N CA 0.992 54.066 53.050 0.040 0.000 0.863 1127 N CB 0.024 38.598 38.487 0.146 0.000 0.983 1127 N HN 0.357 nan 8.380 nan 0.000 0.429 1128 A N 1.781 124.563 122.820 -0.064 0.000 1.902 1128 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 1128 A C 1.691 179.244 177.584 -0.051 0.000 1.181 1128 A CA 1.182 53.205 52.037 -0.023 0.000 0.623 1128 A CB -0.368 18.636 19.000 0.005 0.000 0.818 1128 A HN 0.317 nan 8.150 nan 0.000 0.443 1129 N N 0.104 118.735 118.700 -0.115 0.000 2.434 1129 N HA -0.014 4.726 4.740 -0.000 0.000 0.196 1129 N C -0.672 174.822 175.510 -0.026 0.000 1.183 1129 N CA 0.247 53.293 53.050 -0.006 0.000 0.849 1129 N CB 0.130 38.667 38.487 0.085 0.000 0.992 1129 N HN 0.135 nan 8.380 nan 0.000 0.460 1130 K N 0.281 120.633 120.400 -0.079 0.000 3.585 1130 K HA -0.162 4.158 4.320 -0.000 0.000 0.275 1130 K C -1.163 175.177 176.600 -0.434 0.000 1.026 1130 K CA 0.833 56.994 56.287 -0.209 0.000 0.800 1130 K CB -1.988 30.354 32.500 -0.263 0.000 1.401 1130 K HN 0.186 nan 8.250 nan 0.000 0.453 1131 F N -1.248 118.682 119.950 -0.035 0.000 2.599 1131 F HA 0.521 5.048 4.527 -0.000 0.000 0.311 1131 F C 0.422 176.231 175.800 0.015 0.000 1.076 1131 F CA -1.074 56.921 58.000 -0.009 0.000 0.937 1131 F CB 1.796 40.792 39.000 -0.005 0.000 1.282 1131 F HN -0.181 nan 8.300 nan 0.000 0.460 1132 V N 2.251 122.309 119.914 0.241 0.000 2.448 1132 V HA 0.191 4.311 4.120 -0.000 0.000 0.295 1132 V C 0.727 176.953 176.094 0.220 0.000 1.025 1132 V CA -0.579 61.847 62.300 0.210 0.000 0.859 1132 V CB 1.270 33.196 31.823 0.171 0.000 0.988 1132 V HN 0.862 nan 8.190 nan 0.000 0.431 1133 H N 4.603 123.776 119.070 0.171 0.000 2.357 1133 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 1133 H C 1.761 177.138 175.328 0.083 0.000 1.082 1133 H CA 2.171 58.307 56.048 0.147 0.000 1.342 1133 H CB 0.375 30.215 29.762 0.131 0.000 1.389 1133 H HN 0.757 nan 8.280 nan 0.000 0.511 1134 R N -1.297 119.385 120.500 0.304 0.000 4.037 1134 R HA -0.210 4.130 4.340 -0.000 0.000 0.418 1134 R C 0.222 176.656 176.300 0.222 0.000 0.701 1134 R CA 1.765 57.961 56.100 0.159 0.000 1.660 1134 R CB -1.399 28.756 30.300 -0.242 0.000 2.238 1134 R HN 0.312 nan 8.270 nan 0.000 0.429 1135 D N 0.342 120.942 120.400 0.334 0.000 2.650 1135 D HA 0.149 4.789 4.640 -0.000 0.000 0.265 1135 D C -0.877 175.377 176.300 -0.076 0.000 1.339 1135 D CA -0.373 53.722 54.000 0.158 0.000 0.816 1135 D CB 0.335 41.219 40.800 0.141 0.000 1.091 1135 D HN 0.026 nan 8.370 nan 0.000 0.483 1136 L N 1.622 122.721 121.223 -0.207 0.000 2.456 1136 L HA 0.534 4.874 4.340 -0.000 0.000 0.277 1136 L C -0.462 176.310 176.870 -0.164 0.000 1.124 1136 L CA 0.152 54.748 54.840 -0.405 0.000 0.880 1136 L CB 0.003 41.937 42.059 -0.208 0.000 1.192 1136 L HN 0.105 nan 8.230 nan 0.000 0.463 1137 A N 4.020 126.677 122.820 -0.271 0.000 2.609 1137 A HA 0.746 5.066 4.320 -0.000 0.000 0.291 1137 A C 0.650 178.146 177.584 -0.146 0.000 1.096 1137 A CA -0.171 51.678 52.037 -0.314 0.000 0.684 1137 A CB 0.741 19.129 19.000 -1.021 0.000 1.282 1137 A HN 0.942 nan 8.150 nan 0.000 0.412 1138 A N 0.495 123.326 122.820 0.018 0.000 1.978 1138 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 1138 A C 1.938 179.517 177.584 -0.010 0.000 1.170 1138 A CA 2.003 54.073 52.037 0.055 0.000 0.636 1138 A CB -0.557 18.537 19.000 0.158 0.000 0.810 1138 A HN 0.999 nan 8.150 nan 0.000 0.448 1139 R N -1.002 119.451 120.500 -0.078 0.000 2.280 1139 R HA 0.018 4.358 4.340 -0.000 0.000 0.207 1139 R C 0.459 176.697 176.300 -0.103 0.000 1.043 1139 R CA 1.377 57.428 56.100 -0.082 0.000 1.006 1139 R CB -0.337 29.888 30.300 -0.125 0.000 0.885 1139 R HN 0.350 nan 8.270 nan 0.000 0.467 1140 N N 0.161 118.778 118.700 -0.138 0.000 2.236 1140 N HA 0.087 4.827 4.740 -0.000 0.000 0.196 1140 N C -0.393 175.041 175.510 -0.127 0.000 1.114 1140 N CA 0.029 52.994 53.050 -0.142 0.000 0.859 1140 N CB 0.456 38.839 38.487 -0.174 0.000 0.982 1140 N HN 0.160 nan 8.380 nan 0.000 0.493 1141 C N 1.272 120.519 119.300 -0.088 0.000 2.364 1141 C HA 0.557 5.017 4.460 -0.000 0.000 0.356 1141 C C 0.492 175.456 174.990 -0.044 0.000 1.201 1141 C CA -0.806 58.175 59.018 -0.061 0.000 2.227 1141 C CB 0.874 28.595 27.740 -0.032 0.000 2.387 1141 C HN 0.183 nan 8.230 nan 0.000 0.546 1142 M N 1.540 121.114 119.600 -0.043 0.000 2.664 1142 M HA 0.585 5.065 4.480 -0.000 0.000 0.314 1142 M C -0.872 175.388 176.300 -0.065 0.000 1.200 1142 M CA -0.526 54.747 55.300 -0.045 0.000 0.916 1142 M CB 1.646 34.221 32.600 -0.041 0.000 1.717 1142 M HN 0.357 nan 8.290 nan 0.000 0.470 1143 V N 1.176 121.031 119.914 -0.098 0.000 2.487 1143 V HA 0.681 4.801 4.120 -0.000 0.000 0.298 1143 V C 0.201 176.186 176.094 -0.182 0.000 1.028 1143 V CA -1.031 61.167 62.300 -0.170 0.000 0.860 1143 V CB 1.388 33.020 31.823 -0.318 0.000 0.991 1143 V HN 1.016 nan 8.190 nan 0.000 0.427 1144 A N 2.676 125.396 122.820 -0.167 0.000 2.296 1144 A HA 0.488 4.808 4.320 -0.000 0.000 0.264 1144 A C 1.241 178.657 177.584 -0.281 0.000 1.097 1144 A CA 0.036 51.978 52.037 -0.158 0.000 0.811 1144 A CB 0.301 19.250 19.000 -0.085 0.000 1.072 1144 A HN 0.980 nan 8.150 nan 0.000 0.495 1145 E N 0.150 120.215 120.200 -0.225 0.000 2.219 1145 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 1145 E C 0.810 177.184 176.600 -0.377 0.000 0.998 1145 E CA 2.022 58.246 56.400 -0.293 0.000 0.818 1145 E CB -0.020 29.593 29.700 -0.144 0.000 0.741 1145 E HN 0.709 nan 8.360 nan 0.000 0.477 1146 D N -1.425 118.863 120.400 -0.187 0.000 2.358 1146 D HA -0.053 4.587 4.640 -0.000 0.000 0.224 1146 D C -0.174 176.225 176.300 0.165 0.000 1.123 1146 D CA -0.371 53.635 54.000 0.011 0.000 0.833 1146 D CB -0.622 40.230 40.800 0.088 0.000 0.946 1146 D HN 0.261 nan 8.370 nan 0.000 0.505 1147 F N -1.053 118.869 119.950 -0.046 0.000 2.795 1147 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 1147 F C 0.270 176.018 175.800 -0.087 0.000 0.699 1147 F CA 0.665 58.597 58.000 -0.113 0.000 1.384 1147 F CB -2.616 36.335 39.000 -0.082 0.000 1.672 1147 F HN -0.102 nan 8.300 nan 0.000 0.345 1148 T N 1.629 116.221 114.554 0.063 0.000 2.851 1148 T HA 0.495 4.845 4.350 -0.000 0.000 0.298 1148 T C 0.458 175.162 174.700 0.007 0.000 0.977 1148 T CA -0.314 61.829 62.100 0.073 0.000 1.126 1148 T CB 1.553 70.480 68.868 0.098 0.000 0.916 1148 T HN 0.020 nan 8.240 nan 0.000 0.529 1149 V N 5.001 124.928 119.914 0.022 0.000 2.439 1149 V HA 0.423 4.543 4.120 -0.000 0.000 0.282 1149 V C 0.169 176.277 176.094 0.023 0.000 1.039 1149 V CA -0.508 61.788 62.300 -0.006 0.000 0.913 1149 V CB 1.214 33.032 31.823 -0.009 0.000 0.983 1149 V HN 0.762 nan 8.190 nan 0.000 0.460 1150 K N 4.057 124.459 120.400 0.003 0.000 2.422 1150 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 1150 K C -1.276 175.328 176.600 0.006 0.000 0.933 1150 K CA -0.973 55.328 56.287 0.024 0.000 0.798 1150 K CB 2.496 34.995 32.500 -0.002 0.000 1.238 1150 K HN 0.344 nan 8.250 nan 0.000 0.428 1151 I N 1.504 122.091 120.570 0.028 0.000 2.648 1151 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 1151 I C 1.263 177.354 176.117 -0.043 0.000 1.153 1151 I CA 0.880 62.177 61.300 -0.006 0.000 1.426 1151 I CB 0.963 39.007 38.000 0.073 0.000 1.381 1151 I HN 0.981 nan 8.210 nan 0.000 0.571 1152 G N 3.456 112.112 108.800 -0.240 0.000 2.599 1152 G HA2 0.046 4.006 3.960 -0.000 0.000 0.196 1152 G HA3 0.046 4.006 3.960 -0.000 0.000 0.196 1152 G C -0.228 174.367 174.900 -0.508 0.000 1.148 1152 G CA 0.065 45.016 45.100 -0.250 0.000 0.809 1152 G HN 0.502 nan 8.290 nan 0.000 0.764 1153 D N -0.215 119.763 120.400 -0.704 0.000 2.492 1153 D HA 0.492 5.132 4.640 -0.000 0.000 0.248 1153 D C -0.955 174.872 176.300 -0.789 0.000 1.101 1153 D CA -0.924 52.750 54.000 -0.544 0.000 0.840 1153 D CB 1.250 41.913 40.800 -0.228 0.000 1.209 1153 D HN 0.042 nan 8.370 nan 0.000 0.524 1154 F N 1.397 121.273 119.950 -0.123 0.000 2.850 1154 F HA 0.325 4.852 4.527 0.000 0.000 0.329 1154 F C 1.899 177.608 175.800 -0.153 0.000 1.182 1154 F CA -0.778 57.084 58.000 -0.230 0.000 1.270 1154 F CB 1.277 40.178 39.000 -0.165 0.000 0.979 1154 F HN 0.495 nan 8.300 nan 0.000 0.506 1155 G N -0.100 108.697 108.800 -0.005 0.000 2.776 1155 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.209 1155 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.209 1155 G C 1.217 176.113 174.900 -0.007 0.000 1.145 1155 G CA 0.631 45.738 45.100 0.011 0.000 0.791 1155 G HN 0.308 nan 8.290 nan 0.000 0.530 1156 M N 0.625 120.204 119.600 -0.035 0.000 2.260 1156 M HA 0.211 4.691 4.480 -0.000 0.000 0.326 1156 M C 0.940 177.204 176.300 -0.060 0.000 0.930 1156 M CA 0.038 55.306 55.300 -0.054 0.000 1.051 1156 M CB 0.695 33.264 32.600 -0.053 0.000 1.748 1156 M HN 0.023 nan 8.290 nan 0.000 0.606 1157 T N 0.980 115.513 114.554 -0.035 0.000 2.926 1157 T HA 0.471 4.821 4.350 -0.000 0.000 0.307 1157 T C 0.077 174.830 174.700 0.088 0.000 1.059 1157 T CA -0.449 61.664 62.100 0.022 0.000 1.122 1157 T CB 0.770 69.667 68.868 0.048 0.000 0.972 1157 T HN 0.148 nan 8.240 nan 0.000 0.545 1158 R N 1.269 121.858 120.500 0.148 0.000 2.673 1158 R HA 0.375 4.715 4.340 -0.000 0.000 0.281 1158 R C -0.979 175.419 176.300 0.164 0.000 0.991 1158 R CA -0.853 55.328 56.100 0.134 0.000 0.896 1158 R CB 1.878 32.199 30.300 0.035 0.000 1.201 1158 R HN 0.787 nan 8.270 nan 0.000 0.457 1159 D N 2.758 123.191 120.400 0.055 0.000 2.382 1159 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 1159 D C 0.268 176.445 176.300 -0.204 0.000 1.120 1159 D CA -0.036 53.787 54.000 -0.295 0.000 0.890 1159 D CB 0.673 41.309 40.800 -0.273 0.000 1.201 1159 D HN 0.486 nan 8.370 nan 0.000 0.433 1163 T N 0.148 114.691 114.554 -0.018 0.000 11.046 1163 T HA -0.145 4.205 4.350 -0.000 0.000 0.358 1163 T C -0.099 174.597 174.700 -0.006 0.000 1.833 1163 T CA 0.565 62.660 62.100 -0.008 0.000 3.056 1163 T CB -1.067 67.795 68.868 -0.010 0.000 2.102 1163 T HN 0.736 nan 8.240 nan 0.000 0.412 1168 K N 2.388 122.915 120.400 0.211 0.000 2.416 1168 K HA 0.210 4.530 4.320 -0.000 0.000 0.283 1168 K C 0.796 177.451 176.600 0.092 0.000 1.037 1168 K CA 1.031 57.411 56.287 0.155 0.000 0.995 1168 K CB 0.959 33.596 32.500 0.228 0.000 0.938 1168 K HN 0.659 nan 8.250 nan 0.000 0.475 1169 G N 2.989 111.826 108.800 0.062 0.000 2.551 1169 G HA2 0.027 3.987 3.960 -0.000 0.000 0.214 1169 G HA3 0.027 3.987 3.960 -0.000 0.000 0.214 1169 G C 0.685 175.608 174.900 0.039 0.000 1.250 1169 G CA 0.514 45.640 45.100 0.043 0.000 0.825 1169 G HN 0.729 nan 8.290 nan 0.000 0.549 1170 G N -0.375 108.446 108.800 0.035 0.000 2.829 1170 G HA2 0.400 4.360 3.960 -0.000 0.000 0.173 1170 G HA3 0.400 4.360 3.960 -0.000 0.000 0.173 1170 G C -0.115 174.805 174.900 0.035 0.000 1.476 1170 G CA -0.474 44.644 45.100 0.029 0.000 1.072 1170 G HN 0.210 nan 8.290 nan 0.000 0.577 1171 K N 0.382 120.799 120.400 0.029 0.000 2.414 1171 K HA 0.341 4.661 4.320 -0.000 0.000 0.272 1171 K C 0.183 176.806 176.600 0.038 0.000 0.993 1171 K CA 0.267 56.572 56.287 0.031 0.000 0.964 1171 K CB 0.755 33.269 32.500 0.023 0.000 0.925 1171 K HN 0.499 nan 8.250 nan 0.000 0.487 1172 G N 1.935 110.764 108.800 0.048 0.000 2.524 1172 G HA2 0.510 4.470 3.960 -0.000 0.000 0.310 1172 G HA3 0.510 4.470 3.960 -0.000 0.000 0.310 1172 G C 0.019 174.949 174.900 0.049 0.000 1.279 1172 G CA -0.617 44.516 45.100 0.055 0.000 0.974 1172 G HN 0.514 nan 8.290 nan 0.000 0.484 1173 L N 1.766 123.012 121.223 0.037 0.000 2.965 1173 L HA 0.315 4.655 4.340 -0.000 0.000 0.254 1173 L C 0.354 177.251 176.870 0.044 0.000 1.220 1173 L CA -0.188 54.672 54.840 0.035 0.000 1.023 1173 L CB -0.044 42.023 42.059 0.015 0.000 1.355 1173 L HN 0.217 nan 8.230 nan 0.000 0.545 1174 L N 2.134 123.398 121.223 0.068 0.000 2.453 1174 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 1174 L C -1.739 175.208 176.870 0.129 0.000 1.182 1174 L CA -1.630 53.267 54.840 0.094 0.000 0.858 1174 L CB 0.079 42.228 42.059 0.149 0.000 1.120 1174 L HN -0.110 nan 8.230 nan 0.000 0.474 1175 P HA -0.073 nan 4.420 nan 0.000 0.263 1175 P C 0.807 178.293 177.300 0.310 0.000 1.195 1175 P CA -0.105 63.141 63.100 0.245 0.000 0.762 1175 P CB 0.635 32.521 31.700 0.310 0.000 0.799 1176 V N 2.960 123.002 119.914 0.212 0.000 2.809 1176 V HA -0.180 3.940 4.120 -0.000 0.000 0.256 1176 V C 1.720 177.887 176.094 0.121 0.000 1.080 1176 V CA 1.045 63.422 62.300 0.130 0.000 1.102 1176 V CB -0.905 30.938 31.823 0.034 0.000 0.705 1176 V HN 0.385 nan 8.190 nan 0.000 0.475 1177 R N -0.633 119.972 120.500 0.175 0.000 2.193 1177 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 1177 R C 1.856 178.154 176.300 -0.004 0.000 1.110 1177 R CA 1.666 57.763 56.100 -0.006 0.000 0.988 1177 R CB -0.334 29.851 30.300 -0.192 0.000 0.871 1177 R HN 0.648 nan 8.270 nan 0.000 0.458 1178 W N 0.237 121.666 121.300 0.215 0.000 3.220 1178 W HA 0.287 4.947 4.660 -0.000 0.000 0.328 1178 W C 0.319 177.030 176.519 0.320 0.000 1.205 1178 W CA -0.548 56.976 57.345 0.299 0.000 1.773 1178 W CB 0.217 29.816 29.460 0.232 0.000 1.086 1178 W HN -0.030 nan 8.180 nan 0.000 0.622 1179 M N 1.345 121.137 119.600 0.320 0.000 2.211 1179 M HA 0.070 4.550 4.480 -0.000 0.000 0.356 1179 M C 1.082 177.144 176.300 -0.396 0.000 1.216 1179 M CA 0.230 55.565 55.300 0.058 0.000 1.134 1179 M CB 1.206 33.822 32.600 0.027 0.000 1.564 1179 M HN -0.254 nan 8.290 nan 0.000 0.463 1180 S N 2.961 118.215 115.700 -0.744 0.000 2.600 1180 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 1180 S C -2.153 171.841 174.600 -1.010 0.000 1.325 1180 S CA -1.149 56.149 58.200 -1.503 0.000 1.002 1180 S CB 0.297 62.942 63.200 -0.926 0.000 0.921 1180 S HN 0.447 nan 8.310 nan 0.000 0.554 1181 P HA -0.168 nan 4.420 nan 0.000 0.215 1181 P C 1.755 178.731 177.300 -0.539 0.000 1.157 1181 P CA 1.408 64.073 63.100 -0.725 0.000 0.868 1181 P CB -0.097 31.072 31.700 -0.886 0.000 0.788 1182 E N -0.278 119.593 120.200 -0.548 0.000 2.153 1182 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 1182 E C 1.708 178.089 176.600 -0.364 0.000 0.988 1182 E CA 1.511 57.688 56.400 -0.371 0.000 0.811 1182 E CB -1.176 28.349 29.700 -0.292 0.000 0.746 1182 E HN 0.127 nan 8.360 nan 0.000 0.466 1183 S N 1.064 116.483 115.700 -0.469 0.000 2.371 1183 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 1183 S C 2.133 176.490 174.600 -0.404 0.000 1.029 1183 S CA 0.836 58.682 58.200 -0.591 0.000 0.978 1183 S CB -0.238 62.511 63.200 -0.752 0.000 0.833 1183 S HN 0.219 nan 8.310 nan 0.000 0.466 1184 L N 1.090 122.112 121.223 -0.334 0.000 2.131 1184 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 1184 L C 2.484 179.252 176.870 -0.171 0.000 1.092 1184 L CA 1.239 55.946 54.840 -0.221 0.000 0.759 1184 L CB -0.313 41.606 42.059 -0.232 0.000 0.903 1184 L HN 0.250 nan 8.230 nan 0.000 0.435 1185 K N -0.408 119.878 120.400 -0.189 0.000 2.098 1185 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 1185 K C 0.621 177.158 176.600 -0.105 0.000 1.051 1185 K CA 1.419 57.629 56.287 -0.129 0.000 0.957 1185 K CB 0.340 32.769 32.500 -0.120 0.000 0.738 1185 K HN 0.209 nan 8.250 nan 0.000 0.447 1186 D N -1.579 118.742 120.400 -0.131 0.000 2.520 1186 D HA 0.156 4.796 4.640 -0.000 0.000 0.223 1186 D C 0.041 176.287 176.300 -0.091 0.000 1.186 1186 D CA 0.464 54.408 54.000 -0.092 0.000 0.821 1186 D CB 1.194 41.945 40.800 -0.082 0.000 1.072 1186 D HN 0.314 nan 8.370 nan 0.000 0.518 1187 G N 1.248 109.960 108.800 -0.147 0.000 2.323 1187 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.292 1187 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.292 1187 G C 0.091 174.916 174.900 -0.125 0.000 1.040 1187 G CA 0.455 45.488 45.100 -0.113 0.000 0.942 1187 G HN 0.278 nan 8.290 nan 0.000 0.506 1188 V N -0.613 119.102 119.914 -0.332 0.000 2.417 1188 V HA 0.784 4.904 4.120 -0.000 0.000 0.291 1188 V C -0.180 175.684 176.094 -0.384 0.000 1.024 1188 V CA -1.077 61.113 62.300 -0.183 0.000 0.861 1188 V CB 1.408 33.166 31.823 -0.110 0.000 0.985 1188 V HN 0.232 nan 8.190 nan 0.000 0.436 1189 F N 2.603 122.567 119.950 0.023 0.000 2.449 1189 F HA 0.713 5.240 4.527 -0.000 0.000 0.342 1189 F C 0.718 176.540 175.800 0.038 0.000 1.127 1189 F CA -0.419 57.606 58.000 0.042 0.000 0.975 1189 F CB 2.185 41.221 39.000 0.060 0.000 1.146 1189 F HN 0.651 nan 8.300 nan 0.000 0.444 1190 T N -3.149 111.507 114.554 0.169 0.000 2.807 1190 T HA 0.273 4.623 4.350 -0.000 0.000 0.277 1190 T C 1.188 175.908 174.700 0.032 0.000 1.006 1190 T CA 0.028 62.162 62.100 0.058 0.000 1.006 1190 T CB 1.295 70.173 68.868 0.017 0.000 1.274 1190 T HN 0.591 nan 8.240 nan 0.000 0.569 1191 T N -1.248 113.212 114.554 -0.158 0.000 2.833 1191 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 1191 T C 1.442 176.086 174.700 -0.093 0.000 1.054 1191 T CA 1.314 63.342 62.100 -0.120 0.000 1.135 1191 T CB -1.040 67.679 68.868 -0.249 0.000 0.869 1191 T HN 0.594 nan 8.240 nan 0.000 0.466 1192 Y N 2.169 122.501 120.300 0.054 0.000 2.224 1192 Y HA 0.016 4.566 4.550 -0.000 0.000 0.289 1192 Y C 3.259 179.223 175.900 0.107 0.000 1.146 1192 Y CA 0.577 58.696 58.100 0.032 0.000 1.182 1192 Y CB -1.221 37.250 38.460 0.019 0.000 0.983 1192 Y HN 0.443 nan 8.280 nan 0.000 0.524 1193 S N -0.022 115.830 115.700 0.254 0.000 2.382 1193 S HA -0.186 4.284 4.470 -0.000 0.000 0.228 1193 S C 1.632 176.453 174.600 0.368 0.000 1.027 1193 S CA 1.726 60.074 58.200 0.246 0.000 0.991 1193 S CB -0.355 62.953 63.200 0.179 0.000 0.823 1193 S HN 0.381 nan 8.310 nan 0.000 0.469 1194 D N 0.792 121.402 120.400 0.350 0.000 2.149 1194 D HA 0.014 4.654 4.640 -0.000 0.000 0.201 1194 D C 2.072 178.674 176.300 0.503 0.000 0.972 1194 D CA 0.923 55.194 54.000 0.451 0.000 0.835 1194 D CB -0.463 40.632 40.800 0.491 0.000 0.966 1194 D HN 0.324 nan 8.370 nan 0.000 0.476 1195 V N 0.871 120.914 119.914 0.215 0.000 2.343 1195 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 1195 V C 2.146 178.450 176.094 0.351 0.000 1.051 1195 V CA 1.271 63.595 62.300 0.041 0.000 1.036 1195 V CB -0.502 31.167 31.823 -0.257 0.000 0.654 1195 V HN 0.423 nan 8.190 nan 0.000 0.451 1196 W N 1.109 122.552 121.300 0.239 0.000 2.317 1196 W HA -0.267 4.393 4.660 -0.000 0.000 0.318 1196 W C 2.501 179.280 176.519 0.434 0.000 1.227 1196 W CA 2.393 59.945 57.345 0.344 0.000 1.269 1196 W CB -0.695 28.913 29.460 0.247 0.000 1.155 1196 W HN 0.315 nan 8.180 nan 0.000 0.484 1197 S N 0.673 116.804 115.700 0.719 0.000 2.370 1197 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 1197 S C 1.557 176.460 174.600 0.504 0.000 1.033 1197 S CA 1.615 60.199 58.200 0.640 0.000 1.011 1197 S CB -1.067 62.469 63.200 0.559 0.000 0.852 1197 S HN 0.341 nan 8.310 nan 0.000 0.457 1198 F N 2.520 122.682 119.950 0.353 0.000 2.120 1198 F HA -0.125 4.402 4.527 0.000 0.000 0.300 1198 F C 2.244 178.141 175.800 0.162 0.000 1.095 1198 F CA 1.430 59.601 58.000 0.286 0.000 1.249 1198 F CB -0.967 38.295 39.000 0.436 0.000 0.995 1198 F HN 0.226 nan 8.300 nan 0.000 0.480 1199 G N -0.306 108.535 108.800 0.069 0.000 2.422 1199 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 1199 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 1199 G C 1.733 176.642 174.900 0.014 0.000 1.146 1199 G CA 1.138 46.066 45.100 -0.286 0.000 0.769 1199 G HN 0.358 nan 8.290 nan 0.000 0.547 1200 V N 1.166 121.259 119.914 0.299 0.000 2.343 1200 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 1200 V C 3.162 179.440 176.094 0.306 0.000 1.051 1200 V CA 1.743 64.225 62.300 0.304 0.000 1.036 1200 V CB -0.350 31.545 31.823 0.120 0.000 0.654 1200 V HN 0.415 nan 8.190 nan 0.000 0.451 1201 V N -1.424 118.639 119.914 0.248 0.000 2.427 1201 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 1201 V C 2.182 178.303 176.094 0.046 0.000 1.051 1201 V CA 1.724 64.142 62.300 0.197 0.000 1.048 1201 V CB -0.685 31.206 31.823 0.113 0.000 0.666 1201 V HN 0.440 nan 8.190 nan 0.000 0.456 1202 L N -1.324 119.809 121.223 -0.150 0.000 1.990 1202 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 1202 L C 2.494 179.371 176.870 0.011 0.000 1.072 1202 L CA 2.764 57.495 54.840 -0.181 0.000 0.755 1202 L CB -0.761 41.096 42.059 -0.335 0.000 0.889 1202 L HN 0.584 nan 8.230 nan 0.000 0.432 1203 W N 1.270 122.533 121.300 -0.062 0.000 2.304 1203 W HA -0.282 4.377 4.660 -0.000 0.000 0.315 1203 W C 2.518 179.047 176.519 0.017 0.000 1.233 1203 W CA 2.149 59.516 57.345 0.036 0.000 1.261 1203 W CB -0.090 29.469 29.460 0.166 0.000 1.150 1203 W HN 0.135 nan 8.180 nan 0.000 0.494 1204 E N -0.181 120.267 120.200 0.414 0.000 2.070 1204 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 1204 E C 2.072 178.692 176.600 0.032 0.000 1.004 1204 E CA 2.022 58.583 56.400 0.268 0.000 0.805 1204 E CB -0.570 29.339 29.700 0.348 0.000 0.744 1204 E HN 0.413 nan 8.360 nan 0.000 0.451 1205 I N 0.905 121.486 120.570 0.019 0.000 2.179 1205 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 1205 I C 2.559 178.617 176.117 -0.098 0.000 1.088 1205 I CA 0.924 62.211 61.300 -0.021 0.000 1.357 1205 I CB -0.379 37.609 38.000 -0.021 0.000 1.051 1205 I HN 0.067 nan 8.210 nan 0.000 0.409 1206 A N 0.452 123.175 122.820 -0.162 0.000 2.019 1206 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 1206 A C 2.142 179.544 177.584 -0.304 0.000 1.164 1206 A CA 2.157 54.061 52.037 -0.222 0.000 0.644 1206 A CB -0.846 18.009 19.000 -0.242 0.000 0.805 1206 A HN 0.545 nan 8.150 nan 0.000 0.449 1207 T N -3.751 110.560 114.554 -0.405 0.000 3.129 1207 T HA 0.469 4.819 4.350 -0.000 0.000 0.267 1207 T C 0.380 174.935 174.700 -0.242 0.000 1.018 1207 T CA 0.101 61.942 62.100 -0.431 0.000 0.903 1207 T CB -0.617 67.780 68.868 -0.785 0.000 1.067 1207 T HN 0.572 nan 8.240 nan 0.000 0.549 1208 L N 0.633 121.760 121.223 -0.160 0.000 3.677 1208 L HA -0.237 4.103 4.340 -0.000 0.000 0.464 1208 L C 0.874 177.719 176.870 -0.043 0.000 1.278 1208 L CA 0.185 54.971 54.840 -0.091 0.000 0.806 1208 L CB -2.457 39.542 42.059 -0.101 0.000 1.610 1208 L HN 0.806 nan 8.230 nan 0.000 0.867 1209 A N -1.067 121.753 122.820 0.001 0.000 2.876 1209 A HA -0.169 4.151 4.320 -0.000 0.000 0.287 1209 A C 0.765 178.419 177.584 0.116 0.000 1.455 1209 A CA 1.461 53.557 52.037 0.098 0.000 0.744 1209 A CB -1.233 17.825 19.000 0.097 0.000 1.041 1209 A HN 0.670 nan 8.150 nan 0.000 0.500 1210 E N -0.133 120.125 120.200 0.097 0.000 2.369 1210 E HA 0.249 4.599 4.350 -0.000 0.000 0.255 1210 E C 0.476 177.263 176.600 0.311 0.000 1.172 1210 E CA -0.539 55.959 56.400 0.163 0.000 0.932 1210 E CB 0.519 30.285 29.700 0.110 0.000 1.040 1210 E HN 0.637 nan 8.360 nan 0.000 0.454 1211 Q N 1.750 121.690 119.800 0.233 0.000 2.288 1211 Q HA 0.173 4.513 4.340 -0.000 0.000 0.258 1211 Q C -2.316 173.713 176.000 0.047 0.000 0.957 1211 Q CA -1.976 53.923 55.803 0.160 0.000 0.919 1211 Q CB 0.692 29.504 28.738 0.123 0.000 1.185 1211 Q HN 0.082 nan 8.270 nan 0.000 0.408 1212 P HA -0.104 nan 4.420 nan 0.000 0.266 1212 P C -1.225 175.861 177.300 -0.355 0.000 1.195 1212 P CA 0.479 63.108 63.100 -0.786 0.000 0.768 1212 P CB 0.068 31.210 31.700 -0.931 0.000 0.838 1213 Y N -0.660 119.412 120.300 -0.379 0.000 3.225 1213 Y HA -0.293 4.257 4.550 -0.000 0.000 0.211 1213 Y C 0.864 176.690 175.900 -0.124 0.000 1.223 1213 Y CA 0.334 58.308 58.100 -0.210 0.000 1.284 1213 Y CB -2.750 35.607 38.460 -0.171 0.000 1.367 1213 Y HN 0.433 nan 8.280 nan 0.000 0.566 1214 Q N 0.323 120.135 119.800 0.019 0.000 2.364 1214 Q HA 0.437 4.777 4.340 -0.000 0.000 0.267 1214 Q C 1.358 177.368 176.000 0.016 0.000 0.999 1214 Q CA 0.281 56.106 55.803 0.037 0.000 0.886 1214 Q CB 1.448 30.220 28.738 0.057 0.000 1.243 1214 Q HN 0.700 nan 8.270 nan 0.000 0.415 1215 G N 1.826 110.631 108.800 0.008 0.000 2.213 1215 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.236 1215 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.236 1215 G C -0.143 174.738 174.900 -0.032 0.000 0.991 1215 G CA -0.027 45.065 45.100 -0.013 0.000 0.629 1215 G HN 0.513 nan 8.290 nan 0.000 0.517 1216 L N 1.991 123.199 121.223 -0.025 0.000 2.329 1216 L HA 0.626 4.966 4.340 -0.000 0.000 0.279 1216 L C 1.148 178.007 176.870 -0.018 0.000 1.014 1216 L CA -0.289 54.525 54.840 -0.044 0.000 0.814 1216 L CB 1.827 43.842 42.059 -0.073 0.000 1.257 1216 L HN 0.410 nan 8.230 nan 0.000 0.424 1217 S N 1.117 116.803 115.700 -0.023 0.000 2.603 1217 S HA 0.137 4.607 4.470 -0.000 0.000 0.268 1217 S C 0.876 175.466 174.600 -0.016 0.000 1.317 1217 S CA -0.642 57.551 58.200 -0.010 0.000 1.012 1217 S CB 0.999 64.193 63.200 -0.011 0.000 0.926 1217 S HN 0.604 nan 8.310 nan 0.000 0.539 1218 N N 1.576 120.275 118.700 -0.003 0.000 2.094 1218 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 1218 N C 1.563 177.059 175.510 -0.023 0.000 1.023 1218 N CA 1.742 54.787 53.050 -0.008 0.000 0.857 1218 N CB -0.624 37.873 38.487 0.016 0.000 1.013 1218 N HN 0.781 nan 8.380 nan 0.000 0.426 1219 E N 0.679 120.870 120.200 -0.015 0.000 2.118 1219 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 1219 E C 1.858 178.444 176.600 -0.024 0.000 0.992 1219 E CA 1.074 57.463 56.400 -0.017 0.000 0.804 1219 E CB -0.037 29.656 29.700 -0.011 0.000 0.741 1219 E HN 0.525 nan 8.360 nan 0.000 0.458 1220 Q N -0.104 119.679 119.800 -0.028 0.000 2.049 1220 Q HA -0.097 4.242 4.340 -0.000 0.000 0.198 1220 Q C 2.386 178.373 176.000 -0.022 0.000 0.971 1220 Q CA 0.962 56.748 55.803 -0.028 0.000 0.833 1220 Q CB 0.112 28.821 28.738 -0.049 0.000 0.896 1220 Q HN 0.103 nan 8.270 nan 0.000 0.434 1221 V N 1.570 121.442 119.914 -0.070 0.000 2.252 1221 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 1221 V C 2.250 178.257 176.094 -0.145 0.000 1.056 1221 V CA 1.486 63.688 62.300 -0.163 0.000 1.022 1221 V CB -0.703 30.951 31.823 -0.280 0.000 0.641 1221 V HN 0.433 nan 8.190 nan 0.000 0.445 1222 L N 0.372 121.530 121.223 -0.109 0.000 1.965 1222 L HA -0.275 4.065 4.340 -0.000 0.000 0.226 1222 L C 2.768 179.593 176.870 -0.075 0.000 1.083 1222 L CA 2.438 57.219 54.840 -0.097 0.000 0.790 1222 L CB -1.165 40.858 42.059 -0.060 0.000 0.898 1222 L HN 0.358 nan 8.230 nan 0.000 0.439 1223 R N -1.554 118.931 120.500 -0.026 0.000 2.091 1223 R HA -0.243 4.097 4.340 -0.000 0.000 0.238 1223 R C 2.143 178.465 176.300 0.036 0.000 1.136 1223 R CA 1.716 57.818 56.100 0.003 0.000 0.959 1223 R CB -0.722 29.593 30.300 0.023 0.000 0.856 1223 R HN 0.345 nan 8.270 nan 0.000 0.437 1224 F N 1.410 121.295 119.950 -0.108 0.000 2.102 1224 F HA -0.184 4.343 4.527 0.000 0.000 0.298 1224 F C 2.030 177.781 175.800 -0.082 0.000 1.105 1224 F CA 1.290 59.234 58.000 -0.093 0.000 1.239 1224 F CB -0.394 38.536 39.000 -0.118 0.000 0.991 1224 F HN -0.282 nan 8.300 nan 0.000 0.474 1225 V N 0.356 120.073 119.914 -0.329 0.000 2.453 1225 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 1225 V C 2.515 178.475 176.094 -0.222 0.000 1.048 1225 V CA 1.931 63.995 62.300 -0.394 0.000 1.049 1225 V CB -0.640 30.964 31.823 -0.364 0.000 0.672 1225 V HN 0.353 nan 8.190 nan 0.000 0.457 1226 M N -0.524 118.980 119.600 -0.161 0.000 2.213 1226 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 1226 M C 2.042 178.381 176.300 0.064 0.000 1.062 1226 M CA 1.746 57.009 55.300 -0.062 0.000 1.105 1226 M CB -0.242 32.315 32.600 -0.073 0.000 1.385 1226 M HN 0.353 nan 8.290 nan 0.000 0.417 1227 E N -1.268 118.915 120.200 -0.028 0.000 2.442 1227 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 1227 E C 1.090 177.619 176.600 -0.118 0.000 1.030 1227 E CA 0.505 56.870 56.400 -0.059 0.000 0.869 1227 E CB 0.414 30.089 29.700 -0.042 0.000 0.857 1227 E HN 0.647 nan 8.360 nan 0.000 0.505 1228 G N 0.423 109.173 108.800 -0.085 0.000 2.273 1228 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.162 1228 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.162 1228 G C 0.469 175.259 174.900 -0.183 0.000 1.006 1228 G CA -0.461 44.605 45.100 -0.056 0.000 0.704 1228 G HN 0.407 nan 8.290 nan 0.000 0.487 1229 G N 0.082 108.535 108.800 -0.580 0.000 2.491 1229 G HA2 0.506 4.466 3.960 -0.000 0.000 0.238 1229 G HA3 0.506 4.466 3.960 -0.000 0.000 0.238 1229 G C 0.004 174.505 174.900 -0.665 0.000 1.277 1229 G CA 0.165 44.571 45.100 -1.157 0.000 0.851 1229 G HN 0.678 nan 8.290 nan 0.000 0.573 1230 L N 1.018 122.127 121.223 -0.191 0.000 2.388 1230 L HA 0.381 4.721 4.340 -0.000 0.000 0.264 1230 L C 0.085 176.987 176.870 0.053 0.000 0.998 1230 L CA -1.003 53.789 54.840 -0.080 0.000 0.817 1230 L CB 2.135 44.228 42.059 0.056 0.000 1.338 1230 L HN 0.343 nan 8.230 nan 0.000 0.414 1231 L N 1.742 122.767 121.223 -0.330 0.000 2.506 1231 L HA 0.025 4.365 4.340 -0.000 0.000 0.281 1231 L C 0.154 177.133 176.870 0.182 0.000 1.228 1231 L CA 0.201 54.837 54.840 -0.340 0.000 0.850 1231 L CB 0.045 41.485 42.059 -1.032 0.000 1.110 1231 L HN 0.467 nan 8.230 nan 0.000 0.496 1232 D N 2.325 122.850 120.400 0.208 0.000 2.304 1232 D HA 0.043 4.683 4.640 -0.000 0.000 0.247 1232 D C 0.089 176.496 176.300 0.178 0.000 1.089 1232 D CA -0.328 53.794 54.000 0.202 0.000 0.910 1232 D CB 1.031 41.894 40.800 0.105 0.000 1.199 1232 D HN 0.325 nan 8.370 nan 0.000 0.426 1233 K N 2.780 122.989 120.400 -0.319 0.000 2.453 1233 K HA 0.080 4.400 4.320 -0.000 0.000 0.280 1233 K C -2.312 174.084 176.600 -0.340 0.000 1.045 1233 K CA -0.953 54.821 56.287 -0.855 0.000 1.059 1233 K CB 0.200 31.761 32.500 -1.566 0.000 0.901 1233 K HN 0.037 nan 8.250 nan 0.000 0.475 1234 P HA -0.055 nan 4.420 nan 0.000 0.265 1234 P C -1.274 175.893 177.300 -0.220 0.000 1.187 1234 P CA 0.159 63.093 63.100 -0.277 0.000 0.766 1234 P CB 0.375 31.833 31.700 -0.404 0.000 0.820 1235 D N 2.264 122.559 120.400 -0.175 0.000 2.417 1235 D HA 0.075 4.715 4.640 -0.000 0.000 0.250 1235 D C 0.533 176.752 176.300 -0.136 0.000 1.166 1235 D CA 0.352 54.271 54.000 -0.136 0.000 0.881 1235 D CB -0.454 40.283 40.800 -0.105 0.000 1.164 1235 D HN 0.412 nan 8.370 nan 0.000 0.467 1236 N N 0.102 118.732 118.700 -0.116 0.000 2.994 1236 N HA -0.201 4.539 4.740 -0.000 0.000 0.221 1236 N C -0.466 174.982 175.510 -0.104 0.000 0.900 1236 N CA -0.043 52.947 53.050 -0.100 0.000 1.008 1236 N CB -1.030 37.399 38.487 -0.096 0.000 1.053 1236 N HN 0.451 nan 8.380 nan 0.000 0.580 1237 C N 2.656 121.880 119.300 -0.126 0.000 2.566 1237 C HA 0.314 4.774 4.460 -0.000 0.000 0.393 1237 C C -1.884 173.069 174.990 -0.062 0.000 1.309 1237 C CA -1.316 57.638 59.018 -0.106 0.000 1.801 1237 C CB -0.256 27.407 27.740 -0.129 0.000 2.493 1237 C HN 0.133 nan 8.230 nan 0.000 0.575 1238 P HA 0.137 nan 4.420 nan 0.000 0.268 1238 P C 0.239 177.551 177.300 0.019 0.000 1.204 1238 P CA 0.330 63.419 63.100 -0.018 0.000 0.768 1238 P CB 0.566 32.253 31.700 -0.022 0.000 0.842 1239 D N 2.170 122.589 120.400 0.031 0.000 2.133 1239 D HA -0.210 4.430 4.640 -0.000 0.000 0.195 1239 D C 1.706 178.051 176.300 0.076 0.000 0.997 1239 D CA 1.257 55.305 54.000 0.080 0.000 0.840 1239 D CB -0.503 40.333 40.800 0.060 0.000 0.947 1239 D HN 0.360 nan 8.370 nan 0.000 0.452 1240 M N 0.071 119.688 119.600 0.028 0.000 2.106 1240 M HA -0.171 4.309 4.480 -0.000 0.000 0.259 1240 M C 1.858 178.151 176.300 -0.012 0.000 1.068 1240 M CA 1.343 56.645 55.300 0.003 0.000 1.100 1240 M CB -0.303 32.291 32.600 -0.009 0.000 1.351 1240 M HN 0.150 nan 8.290 nan 0.000 0.404 1241 L N -0.134 121.090 121.223 0.001 0.000 2.179 1241 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 1241 L C 2.049 178.902 176.870 -0.028 0.000 1.096 1241 L CA 1.254 56.078 54.840 -0.028 0.000 0.779 1241 L CB -0.810 41.232 42.059 -0.029 0.000 0.922 1241 L HN 0.344 nan 8.230 nan 0.000 0.443 1242 F N -0.336 119.554 119.950 -0.099 0.000 2.558 1242 F HA -0.035 4.492 4.527 0.000 0.000 0.298 1242 F C 2.126 177.860 175.800 -0.110 0.000 1.119 1242 F CA 0.783 58.725 58.000 -0.097 0.000 1.451 1242 F CB 0.111 39.092 39.000 -0.033 0.000 1.091 1242 F HN 0.105 nan 8.300 nan 0.000 0.563 1243 E N 0.481 120.584 120.200 -0.162 0.000 2.076 1243 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 1243 E C 2.347 178.776 176.600 -0.285 0.000 0.979 1243 E CA 0.777 57.045 56.400 -0.221 0.000 0.807 1243 E CB -0.489 29.167 29.700 -0.074 0.000 0.761 1243 E HN 0.444 nan 8.360 nan 0.000 0.454 1244 L N -0.075 121.011 121.223 -0.229 0.000 2.012 1244 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 1244 L C 2.238 178.869 176.870 -0.397 0.000 1.073 1244 L CA 1.430 56.136 54.840 -0.222 0.000 0.748 1244 L CB -0.260 41.720 42.059 -0.132 0.000 0.891 1244 L HN 0.297 nan 8.230 nan 0.000 0.431 1245 M N -0.926 118.322 119.600 -0.588 0.000 2.073 1245 M HA -0.307 4.173 4.480 -0.000 0.000 0.258 1245 M C 2.274 177.833 176.300 -1.235 0.000 1.070 1245 M CA 1.917 56.550 55.300 -1.112 0.000 1.103 1245 M CB -0.709 31.125 32.600 -1.277 0.000 1.321 1245 M HN 0.175 nan 8.290 nan 0.000 0.405 1246 R N 0.107 120.075 120.500 -0.888 0.000 2.117 1246 R HA -0.151 4.189 4.340 -0.000 0.000 0.243 1246 R C 2.098 178.233 176.300 -0.276 0.000 1.143 1246 R CA 1.693 57.498 56.100 -0.491 0.000 0.968 1246 R CB -0.495 29.536 30.300 -0.447 0.000 0.863 1246 R HN 0.484 nan 8.270 nan 0.000 0.444 1247 M N -0.558 118.868 119.600 -0.290 0.000 2.156 1247 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 1247 M C 2.375 178.592 176.300 -0.139 0.000 1.067 1247 M CA 1.186 56.392 55.300 -0.157 0.000 1.131 1247 M CB -0.202 32.321 32.600 -0.130 0.000 1.368 1247 M HN 0.174 nan 8.290 nan 0.000 0.416 1248 C N -0.549 118.587 119.300 -0.273 0.000 2.422 1248 C HA -0.129 4.331 4.460 -0.000 0.000 0.286 1248 C C 1.540 176.500 174.990 -0.050 0.000 1.412 1248 C CA 0.263 59.161 59.018 -0.199 0.000 1.786 1248 C CB -1.257 26.306 27.740 -0.295 0.000 1.835 1248 C HN 0.661 nan 8.230 nan 0.000 0.533 1249 W N -0.142 121.051 121.300 -0.178 0.000 3.123 1249 W HA 0.347 5.007 4.660 0.000 0.000 0.383 1249 W C 0.745 177.316 176.519 0.087 0.000 1.102 1249 W CA -0.805 56.407 57.345 -0.221 0.000 1.865 1249 W CB -1.131 28.038 29.460 -0.485 0.000 1.111 1249 W HN 0.225 nan 8.180 nan 0.000 0.621 1250 Q N 0.343 120.293 119.800 0.250 0.000 2.269 1250 Q HA -0.152 4.188 4.340 -0.000 0.000 0.300 1250 Q C 1.113 177.278 176.000 0.274 0.000 1.070 1250 Q CA 0.489 56.415 55.803 0.206 0.000 0.957 1250 Q CB 0.149 28.948 28.738 0.103 0.000 1.131 1250 Q HN 0.326 nan 8.270 nan 0.000 0.377 1251 Y N 3.248 123.637 120.300 0.149 0.000 2.128 1251 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 1251 Y C 0.791 176.711 175.900 0.033 0.000 1.154 1251 Y CA 1.845 60.002 58.100 0.096 0.000 1.149 1251 Y CB 0.175 38.655 38.460 0.032 0.000 0.976 1251 Y HN 0.670 nan 8.280 nan 0.000 0.505 1252 N N 1.142 119.945 118.700 0.172 0.000 2.431 1252 N HA 0.018 4.758 4.740 -0.000 0.000 0.265 1252 N C -2.085 173.386 175.510 -0.065 0.000 1.184 1252 N CA -1.695 51.378 53.050 0.037 0.000 0.943 1252 N CB 1.086 39.593 38.487 0.033 0.000 1.080 1252 N HN 0.041 nan 8.380 nan 0.000 0.477 1253 P HA -0.166 nan 4.420 nan 0.000 0.216 1253 P C 0.858 177.837 177.300 -0.535 0.000 1.150 1253 P CA 1.405 64.370 63.100 -0.225 0.000 0.843 1253 P CB 0.323 31.905 31.700 -0.196 0.000 0.787 1254 K N -1.347 118.735 120.400 -0.531 0.000 2.362 1254 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 1254 K C 1.553 177.980 176.600 -0.288 0.000 1.046 1254 K CA 0.932 56.878 56.287 -0.568 0.000 0.952 1254 K CB -0.358 31.953 32.500 -0.315 0.000 0.753 1254 K HN 0.220 nan 8.250 nan 0.000 0.466 1255 M N 0.483 119.980 119.600 -0.172 0.000 2.561 1255 M HA 0.038 4.518 4.480 -0.000 0.000 0.238 1255 M C 0.347 176.619 176.300 -0.047 0.000 1.131 1255 M CA 0.427 55.682 55.300 -0.075 0.000 1.046 1255 M CB -0.271 32.314 32.600 -0.025 0.000 1.532 1255 M HN -0.065 nan 8.290 nan 0.000 0.497 1256 R N 1.307 121.773 120.500 -0.057 0.000 2.528 1256 R HA 0.356 4.696 4.340 -0.000 0.000 0.271 1256 R C -2.110 174.185 176.300 -0.009 0.000 1.056 1256 R CA -1.500 54.595 56.100 -0.008 0.000 1.117 1256 R CB -0.192 30.137 30.300 0.048 0.000 1.085 1256 R HN 0.028 nan 8.270 nan 0.000 0.530 1257 P HA -0.000 nan 4.420 nan 0.000 0.275 1257 P C -0.559 176.697 177.300 -0.074 0.000 1.228 1257 P CA -0.297 62.781 63.100 -0.036 0.000 0.786 1257 P CB 1.110 32.778 31.700 -0.053 0.000 0.927 1258 S N 1.522 117.203 115.700 -0.031 0.000 2.584 1258 S HA 0.118 4.588 4.470 -0.000 0.000 0.270 1258 S C 1.061 175.589 174.600 -0.120 0.000 1.346 1258 S CA -0.297 57.863 58.200 -0.066 0.000 1.018 1258 S CB -0.118 63.111 63.200 0.048 0.000 0.899 1258 S HN 0.233 nan 8.310 nan 0.000 0.542 1259 F N 0.462 120.402 119.950 -0.015 0.000 2.216 1259 F HA 0.016 4.543 4.527 -0.000 0.000 0.300 1259 F C 1.991 177.786 175.800 -0.008 0.000 1.085 1259 F CA 0.826 58.767 58.000 -0.099 0.000 1.326 1259 F CB -0.784 38.152 39.000 -0.107 0.000 1.027 1259 F HN 0.469 nan 8.300 nan 0.000 0.497 1260 L N -0.522 120.858 121.223 0.260 0.000 2.027 1260 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 1260 L C 2.344 179.337 176.870 0.206 0.000 1.074 1260 L CA 1.384 56.404 54.840 0.299 0.000 0.745 1260 L CB -0.692 41.540 42.059 0.288 0.000 0.898 1260 L HN 0.096 nan 8.230 nan 0.000 0.433 1261 E N 0.311 120.585 120.200 0.124 0.000 2.130 1261 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 1261 E C 2.226 178.843 176.600 0.027 0.000 0.998 1261 E CA 1.358 57.801 56.400 0.073 0.000 0.806 1261 E CB -0.114 29.611 29.700 0.042 0.000 0.738 1261 E HN 0.485 nan 8.360 nan 0.000 0.459 1262 I N 0.640 121.214 120.570 0.007 0.000 2.179 1262 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 1262 I C 2.317 178.403 176.117 -0.053 0.000 1.088 1262 I CA 1.123 62.413 61.300 -0.017 0.000 1.357 1262 I CB -0.274 37.706 38.000 -0.034 0.000 1.051 1262 I HN 0.114 nan 8.210 nan 0.000 0.409 1263 I N -0.156 120.362 120.570 -0.087 0.000 2.315 1263 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 1263 I C 2.692 178.584 176.117 -0.375 0.000 1.117 1263 I CA 1.014 62.156 61.300 -0.264 0.000 1.404 1263 I CB -0.335 37.453 38.000 -0.354 0.000 1.071 1263 I HN 0.128 nan 8.210 nan 0.000 0.419 1264 S N 0.328 115.897 115.700 -0.218 0.000 2.419 1264 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 1264 S C 2.105 176.669 174.600 -0.059 0.000 1.016 1264 S CA 1.717 59.860 58.200 -0.095 0.000 0.974 1264 S CB -0.202 63.062 63.200 0.106 0.000 0.786 1264 S HN 0.621 nan 8.310 nan 0.000 0.492 1265 S N 0.708 116.373 115.700 -0.059 0.000 2.558 1265 S HA 0.170 4.640 4.470 -0.000 0.000 0.217 1265 S C 1.279 175.849 174.600 -0.050 0.000 0.975 1265 S CA 0.254 58.433 58.200 -0.034 0.000 0.912 1265 S CB -0.437 62.750 63.200 -0.022 0.000 0.776 1265 S HN 0.761 nan 8.310 nan 0.000 0.526 1266 I N -1.791 118.724 120.570 -0.091 0.000 4.225 1266 I HA 0.376 4.546 4.170 -0.000 0.000 0.327 1266 I C 1.420 177.455 176.117 -0.137 0.000 1.422 1266 I CA -0.586 60.655 61.300 -0.099 0.000 1.150 1266 I CB 0.167 38.106 38.000 -0.102 0.000 1.192 1266 I HN 0.068 nan 8.210 nan 0.000 0.440 1267 K N 0.932 121.243 120.400 -0.149 0.000 2.147 1267 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 1267 K C 1.362 177.960 176.600 -0.005 0.000 1.049 1267 K CA 1.408 57.619 56.287 -0.126 0.000 0.936 1267 K CB -0.284 32.156 32.500 -0.100 0.000 0.722 1267 K HN 0.104 nan 8.250 nan 0.000 0.446 1268 E N 1.040 121.244 120.200 0.008 0.000 2.331 1268 E HA -0.149 4.201 4.350 -0.000 0.000 0.199 1268 E C 0.840 177.442 176.600 0.003 0.000 1.008 1268 E CA 1.074 57.490 56.400 0.027 0.000 0.843 1268 E CB 0.060 29.773 29.700 0.020 0.000 0.761 1268 E HN 0.421 nan 8.360 nan 0.000 0.507 1269 E N -1.370 118.809 120.200 -0.034 0.000 2.583 1269 E HA 0.155 4.505 4.350 -0.000 0.000 0.213 1269 E C -0.469 176.090 176.600 -0.068 0.000 0.989 1269 E CA -0.081 56.293 56.400 -0.043 0.000 0.991 1269 E CB 0.384 30.053 29.700 -0.051 0.000 1.040 1269 E HN 0.029 nan 8.360 nan 0.000 0.481 1270 M N 1.407 120.951 119.600 -0.094 0.000 2.277 1270 M HA 0.247 4.727 4.480 -0.000 0.000 0.350 1270 M C 0.296 176.589 176.300 -0.010 0.000 1.180 1270 M CA -0.520 54.696 55.300 -0.139 0.000 1.103 1270 M CB 0.875 33.242 32.600 -0.388 0.000 1.577 1270 M HN -0.118 nan 8.290 nan 0.000 0.459 1271 E N 2.666 122.876 120.200 0.017 0.000 2.508 1271 E HA -0.063 4.287 4.350 -0.000 0.000 0.266 1271 E C -1.534 175.146 176.600 0.133 0.000 1.010 1271 E CA -0.984 55.461 56.400 0.074 0.000 0.955 1271 E CB -0.218 29.536 29.700 0.091 0.000 0.946 1271 E HN 0.400 nan 8.360 nan 0.000 0.454 1272 P HA -0.183 nan 4.420 nan 0.000 0.215 1272 P C 1.316 178.708 177.300 0.154 0.000 1.163 1272 P CA 2.023 65.190 63.100 0.112 0.000 0.894 1272 P CB 0.024 31.766 31.700 0.070 0.000 0.791 1273 G N -0.998 107.891 108.800 0.147 0.000 2.547 1273 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.221 1273 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.221 1273 G C 1.379 176.399 174.900 0.200 0.000 1.140 1273 G CA 0.859 46.043 45.100 0.141 0.000 0.760 1273 G HN 0.149 nan 8.290 nan 0.000 0.583 1274 F N 1.933 121.973 119.950 0.150 0.000 2.039 1274 F HA -0.334 4.193 4.527 -0.000 0.000 0.296 1274 F C 2.793 178.756 175.800 0.271 0.000 1.119 1274 F CA 2.651 60.792 58.000 0.234 0.000 1.211 1274 F CB -0.584 38.558 39.000 0.236 0.000 0.956 1274 F HN 0.202 nan 8.300 nan 0.000 0.496 1275 R N 0.558 121.257 120.500 0.332 0.000 2.196 1275 R HA -0.276 4.064 4.340 -0.000 0.000 0.259 1275 R C 2.246 178.561 176.300 0.025 0.000 1.154 1275 R CA 2.398 58.587 56.100 0.148 0.000 0.976 1275 R CB -0.866 29.367 30.300 -0.112 0.000 0.888 1275 R HN 0.608 nan 8.270 nan 0.000 0.453 1276 E N -0.693 119.501 120.200 -0.010 0.000 2.112 1276 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 1276 E C 1.543 178.081 176.600 -0.103 0.000 0.979 1276 E CA 1.429 57.795 56.400 -0.055 0.000 0.814 1276 E CB 0.295 29.962 29.700 -0.054 0.000 0.762 1276 E HN 0.393 nan 8.360 nan 0.000 0.460 1277 V N -1.039 118.784 119.914 -0.151 0.000 3.661 1277 V HA 0.178 4.298 4.120 -0.000 0.000 0.271 1277 V C 0.832 176.795 176.094 -0.219 0.000 1.315 1277 V CA 0.229 62.371 62.300 -0.264 0.000 1.072 1277 V CB 0.328 31.834 31.823 -0.528 0.000 0.830 1277 V HN 0.135 nan 8.190 nan 0.000 0.443 1278 S N -0.128 115.410 115.700 -0.269 0.000 2.592 1278 S HA 0.357 4.827 4.470 -0.000 0.000 0.271 1278 S C 0.607 175.168 174.600 -0.065 0.000 1.326 1278 S CA 0.086 58.093 58.200 -0.322 0.000 1.024 1278 S CB 0.956 63.417 63.200 -1.232 0.000 0.921 1278 S HN 0.489 nan 8.310 nan 0.000 0.527 1279 F N 2.252 122.175 119.950 -0.045 0.000 2.259 1279 F HA -0.004 4.523 4.527 0.000 0.000 0.298 1279 F C 1.834 177.668 175.800 0.056 0.000 1.088 1279 F CA 1.042 59.058 58.000 0.027 0.000 1.358 1279 F CB -0.577 38.489 39.000 0.109 0.000 1.040 1279 F HN 0.840 nan 8.300 nan 0.000 0.505 1280 Y N -0.231 119.956 120.300 -0.189 0.000 2.165 1280 Y HA -0.270 4.280 4.550 0.000 0.000 0.286 1280 Y C 1.214 176.877 175.900 -0.394 0.000 1.155 1280 Y CA 2.056 59.958 58.100 -0.331 0.000 1.164 1280 Y CB -0.626 37.688 38.460 -0.244 0.000 0.978 1280 Y HN 0.163 nan 8.280 nan 0.000 0.513 1281 Y N 0.371 120.618 120.300 -0.089 0.000 2.625 1281 Y HA 0.173 4.723 4.550 -0.000 0.000 0.285 1281 Y C 0.866 176.665 175.900 -0.169 0.000 1.168 1281 Y CA -0.529 57.504 58.100 -0.111 0.000 1.250 1281 Y CB 0.052 38.515 38.460 0.006 0.000 1.130 1281 Y HN 0.025 nan 8.280 nan 0.000 0.526 1282 S N -1.482 114.138 115.700 -0.133 0.000 2.745 1282 S HA 0.209 4.679 4.470 -0.000 0.000 0.292 1282 S C 1.023 175.545 174.600 -0.130 0.000 1.133 1282 S CA -0.835 57.299 58.200 -0.110 0.000 0.998 1282 S CB 1.463 64.611 63.200 -0.087 0.000 1.087 1282 S HN 0.154 nan 8.310 nan 0.000 0.551 1283 E N 1.159 121.322 120.200 -0.063 0.000 2.072 1283 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 1283 E C 1.858 178.432 176.600 -0.043 0.000 0.985 1283 E CA 1.469 57.843 56.400 -0.043 0.000 0.801 1283 E CB -0.431 29.262 29.700 -0.011 0.000 0.750 1283 E HN 0.826 nan 8.360 nan 0.000 0.452 1284 E N 0.970 121.164 120.200 -0.009 0.000 2.160 1284 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 1284 E C 0.897 177.483 176.600 -0.024 0.000 0.991 1284 E CA 0.435 56.873 56.400 0.065 0.000 0.810 1284 E CB -0.252 29.603 29.700 0.259 0.000 0.742 1284 E HN -0.022 nan 8.360 nan 0.000 0.466 1285 N N 1.454 119.987 118.700 -0.279 0.000 2.482 1285 N HA 0.040 4.780 4.740 -0.000 0.000 0.242 1285 N C -0.820 174.557 175.510 -0.221 0.000 1.100 1285 N CA 0.163 52.979 53.050 -0.389 0.000 0.946 1285 N CB 0.299 38.271 38.487 -0.859 0.000 1.227 1285 N HN -0.060 nan 8.380 nan 0.000 0.508 1286 K N 0.000 120.338 120.400 -0.103 0.000 2.780 1286 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1286 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 1286 K CB 0.000 32.464 32.500 -0.061 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543