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_F DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEXX 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 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 0.000 174.667 174.600 0.112 0.000 1.055 980 S CA 0.000 58.247 58.200 0.079 0.000 1.107 980 S CB 0.000 63.240 63.200 0.066 0.000 0.593 981 F N 2.995 122.940 119.950 -0.008 0.000 2.495 981 F HA 0.595 5.122 4.527 0.000 0.000 0.365 981 F C 0.898 176.696 175.800 -0.004 0.000 1.090 981 F CA 1.238 59.234 58.000 -0.005 0.000 1.235 981 F CB 0.863 39.861 39.000 -0.003 0.000 1.119 981 F HN 0.978 nan 8.300 nan 0.000 0.562 982 S N 3.241 118.788 115.700 -0.254 0.000 2.671 982 S HA 0.714 5.184 4.470 0.000 0.000 0.277 982 S C 0.471 174.938 174.600 -0.222 0.000 1.165 982 S CA -0.445 57.667 58.200 -0.147 0.000 0.822 982 S CB 1.116 64.247 63.200 -0.115 0.000 1.150 982 S HN 0.799 nan 8.310 nan 0.000 0.479 983 A N 0.976 123.736 122.820 -0.100 0.000 1.948 983 A HA 0.102 4.422 4.320 0.000 0.000 0.220 983 A C 2.297 179.864 177.584 -0.027 0.000 1.177 983 A CA 2.316 54.346 52.037 -0.012 0.000 0.636 983 A CB -1.729 17.190 19.000 -0.135 0.000 0.815 983 A HN 1.654 nan 8.150 nan 0.000 0.449 984 A N -0.516 122.216 122.820 -0.147 0.000 2.131 984 A HA -0.167 4.153 4.320 0.000 0.000 0.220 984 A C 1.598 179.082 177.584 -0.166 0.000 1.158 984 A CA 1.970 53.913 52.037 -0.157 0.000 0.665 984 A CB -0.603 18.282 19.000 -0.191 0.000 0.795 984 A HN 0.555 nan 8.150 nan 0.000 0.460 985 D N -1.464 118.762 120.400 -0.290 0.000 2.194 985 D HA -0.013 4.627 4.640 0.000 0.000 0.204 985 D C 1.903 178.039 176.300 -0.273 0.000 0.964 985 D CA 1.245 55.023 54.000 -0.370 0.000 0.846 985 D CB 0.203 40.552 40.800 -0.752 0.000 0.962 985 D HN 0.332 nan 8.370 nan 0.000 0.490 986 V N -1.233 118.536 119.914 -0.242 0.000 2.672 986 V HA -0.013 4.107 4.120 0.000 0.000 0.242 986 V C 1.181 177.168 176.094 -0.178 0.000 1.059 986 V CA 0.695 62.882 62.300 -0.189 0.000 1.081 986 V CB -0.561 31.130 31.823 -0.220 0.000 0.752 986 V HN 0.135 nan 8.190 nan 0.000 0.472 987 Y N 0.994 121.227 120.300 -0.111 0.000 2.583 987 Y HA 0.343 4.893 4.550 0.000 0.000 0.293 987 Y C 1.032 176.875 175.900 -0.096 0.000 1.157 987 Y CA 1.214 59.259 58.100 -0.093 0.000 1.315 987 Y CB 0.398 38.793 38.460 -0.108 0.000 1.021 987 Y HN 0.244 nan 8.280 nan 0.000 0.536 988 V N 1.349 121.278 119.914 0.025 0.000 2.448 988 V HA 0.530 4.650 4.120 0.000 0.000 0.295 988 V C -2.697 173.432 176.094 0.059 0.000 1.025 988 V CA -2.900 59.404 62.300 0.007 0.000 0.859 988 V CB 1.550 33.352 31.823 -0.035 0.000 0.988 988 V HN -0.152 nan 8.190 nan 0.000 0.431 989 P HA 0.228 nan 4.420 nan 0.000 0.268 989 P C -0.565 176.820 177.300 0.141 0.000 1.205 989 P CA -0.021 63.174 63.100 0.158 0.000 0.771 989 P CB 0.362 32.226 31.700 0.273 0.000 0.858 990 D N 2.486 122.921 120.400 0.060 0.000 2.826 990 D HA -0.030 4.610 4.640 0.000 0.000 0.229 990 D C 0.592 176.892 176.300 -0.001 0.000 1.091 990 D CA 0.736 54.753 54.000 0.028 0.000 1.061 990 D CB -0.341 40.464 40.800 0.007 0.000 1.155 990 D HN 0.489 nan 8.370 nan 0.000 0.450 991 E N -1.498 118.701 120.200 -0.001 0.000 2.614 991 E HA 0.031 4.381 4.350 0.000 0.000 0.192 991 E C 0.544 176.928 176.600 -0.360 0.000 0.930 991 E CA -0.112 56.184 56.400 -0.173 0.000 1.346 991 E CB 0.105 29.674 29.700 -0.219 0.000 1.252 991 E HN 0.258 nan 8.360 nan 0.000 0.647 992 W N 1.938 123.221 121.300 -0.030 0.000 2.714 992 W HA 0.273 4.933 4.660 0.000 0.000 0.353 992 W C 0.634 177.133 176.519 -0.034 0.000 0.999 992 W CA -0.439 56.888 57.345 -0.031 0.000 1.629 992 W CB 0.809 30.248 29.460 -0.035 0.000 1.106 992 W HN -0.078 nan 8.180 nan 0.000 0.545 993 E N 1.866 122.141 120.200 0.125 0.000 2.415 993 E HA 0.251 4.601 4.350 0.000 0.000 0.262 993 E C -0.273 176.350 176.600 0.039 0.000 1.038 993 E CA 0.198 56.636 56.400 0.063 0.000 0.921 993 E CB 0.931 30.646 29.700 0.025 0.000 0.950 993 E HN -0.065 nan 8.360 nan 0.000 0.438 994 V N 1.049 120.979 119.914 0.026 0.000 3.120 994 V HA 0.804 4.924 4.120 0.000 0.000 0.303 994 V C -1.085 175.010 176.094 0.000 0.000 1.238 994 V CA -0.363 61.944 62.300 0.012 0.000 1.008 994 V CB 1.655 33.491 31.823 0.021 0.000 1.064 994 V HN 0.849 nan 8.190 nan 0.000 0.434 995 A N 3.806 126.624 122.820 -0.005 0.000 2.366 995 A HA 0.567 4.887 4.320 0.000 0.000 0.272 995 A C 1.073 178.649 177.584 -0.013 0.000 1.135 995 A CA 0.166 52.197 52.037 -0.010 0.000 0.804 995 A CB 0.424 19.418 19.000 -0.010 0.000 1.064 995 A HN 1.144 nan 8.150 nan 0.000 0.499 996 R N 1.251 121.740 120.500 -0.019 0.000 2.117 996 R HA -0.196 4.144 4.340 0.000 0.000 0.243 996 R C 1.796 178.082 176.300 -0.024 0.000 1.143 996 R CA 2.158 58.243 56.100 -0.026 0.000 0.968 996 R CB -0.057 30.224 30.300 -0.032 0.000 0.863 996 R HN 0.933 nan 8.270 nan 0.000 0.444 997 E N 0.574 120.763 120.200 -0.019 0.000 2.153 997 E HA -0.225 4.125 4.350 0.000 0.000 0.194 997 E C 1.420 178.013 176.600 -0.013 0.000 0.988 997 E CA 1.064 57.454 56.400 -0.016 0.000 0.811 997 E CB -0.248 29.444 29.700 -0.013 0.000 0.746 997 E HN 0.380 nan 8.360 nan 0.000 0.466 998 K N 0.087 120.481 120.400 -0.011 0.000 2.209 998 K HA -0.032 4.288 4.320 0.000 0.000 0.204 998 K C 0.506 177.102 176.600 -0.006 0.000 1.048 998 K CA 0.459 56.742 56.287 -0.007 0.000 0.940 998 K CB -0.001 32.497 32.500 -0.005 0.000 0.729 998 K HN 0.106 nan 8.250 nan 0.000 0.451 999 I N 0.966 121.529 120.570 -0.011 0.000 2.428 999 I HA 0.037 4.207 4.170 0.000 0.000 0.296 999 I C 0.355 176.461 176.117 -0.020 0.000 0.985 999 I CA -0.403 60.890 61.300 -0.012 0.000 1.260 999 I CB 1.582 39.573 38.000 -0.015 0.000 1.389 999 I HN -0.089 nan 8.210 nan 0.000 0.484 1000 T N 6.027 120.572 114.554 -0.014 0.000 2.949 1000 T HA 0.541 4.891 4.350 0.000 0.000 0.300 1000 T C -0.159 174.535 174.700 -0.010 0.000 0.988 1000 T CA -0.964 61.126 62.100 -0.017 0.000 0.993 1000 T CB 0.547 69.412 68.868 -0.006 0.000 0.984 1000 T HN 0.295 nan 8.240 nan 0.000 0.442 1001 M N 3.009 122.590 119.600 -0.033 0.000 2.043 1001 M HA 0.435 4.915 4.480 0.000 0.000 0.272 1001 M C 1.126 177.457 176.300 0.051 0.000 1.279 1001 M CA -0.445 54.854 55.300 -0.002 0.000 1.109 1001 M CB 0.309 32.840 32.600 -0.115 0.000 1.377 1001 M HN 0.801 nan 8.290 nan 0.000 0.469 1002 S N -0.801 114.969 115.700 0.115 0.000 4.736 1002 S HA 0.302 4.772 4.470 0.000 0.000 0.170 1002 S C -0.565 174.108 174.600 0.121 0.000 1.074 1002 S CA -0.341 57.914 58.200 0.093 0.000 1.250 1002 S CB 0.723 63.961 63.200 0.062 0.000 1.772 1002 S HN 0.746 nan 8.310 nan 0.000 0.633 1003 R N 1.186 121.756 120.500 0.118 0.000 2.744 1003 R HA 0.685 5.025 4.340 0.000 0.000 0.279 1003 R C -1.341 174.960 176.300 0.002 0.000 0.977 1003 R CA -0.812 55.329 56.100 0.068 0.000 0.906 1003 R CB 1.334 31.648 30.300 0.024 0.000 1.197 1003 R HN 0.153 nan 8.270 nan 0.000 0.463 1004 E N 1.471 121.584 120.200 -0.145 0.000 2.384 1004 E HA 0.015 4.365 4.350 0.000 0.000 0.266 1004 E C 0.141 176.625 176.600 -0.193 0.000 1.012 1004 E CA -0.001 56.173 56.400 -0.376 0.000 0.901 1004 E CB 0.883 30.329 29.700 -0.422 0.000 0.967 1004 E HN 0.495 nan 8.360 nan 0.000 0.435 1005 L N 1.713 122.827 121.223 -0.182 0.000 2.425 1005 L HA 0.294 4.634 4.340 0.000 0.000 0.215 1005 L C 1.010 177.821 176.870 -0.099 0.000 1.065 1005 L CA 0.417 55.199 54.840 -0.096 0.000 0.842 1005 L CB 0.282 42.310 42.059 -0.051 0.000 1.033 1005 L HN 0.741 nan 8.230 nan 0.000 0.474 1006 G N -0.950 107.770 108.800 -0.135 0.000 2.356 1006 G HA2 0.089 4.049 3.960 0.000 0.000 0.288 1006 G HA3 0.089 4.049 3.960 0.000 0.000 0.288 1006 G C -1.900 172.941 174.900 -0.098 0.000 1.302 1006 G CA -0.748 44.288 45.100 -0.107 0.000 0.887 1006 G HN -0.187 nan 8.290 nan 0.000 0.521 1007 Q N -0.314 119.441 119.800 -0.074 0.000 2.293 1007 Q HA 0.611 4.951 4.340 0.000 0.000 0.251 1007 Q C 0.488 176.449 176.000 -0.064 0.000 0.930 1007 Q CA 0.904 56.671 55.803 -0.060 0.000 0.893 1007 Q CB 1.208 29.914 28.738 -0.054 0.000 1.215 1007 Q HN 1.167 nan 8.270 nan 0.000 0.425 1008 G N 0.309 109.076 108.800 -0.056 0.000 2.600 1008 G HA2 0.386 4.346 3.960 0.000 0.000 0.303 1008 G HA3 0.386 4.346 3.960 0.000 0.000 0.303 1008 G C 0.474 175.277 174.900 -0.162 0.000 1.253 1008 G CA -0.180 44.866 45.100 -0.090 0.000 0.974 1008 G HN 0.751 nan 8.290 nan 0.000 0.483 1009 S N -0.314 115.204 115.700 -0.302 0.000 2.381 1009 S HA -0.209 4.261 4.470 0.000 0.000 0.230 1009 S C 1.378 175.581 174.600 -0.662 0.000 1.052 1009 S CA 1.912 59.764 58.200 -0.580 0.000 1.068 1009 S CB -0.452 62.227 63.200 -0.868 0.000 0.918 1009 S HN 0.443 nan 8.310 nan 0.000 0.448 1010 F N 1.616 121.483 119.950 -0.138 0.000 2.688 1010 F HA 0.597 5.124 4.527 0.000 0.000 0.310 1010 F C 1.320 177.166 175.800 0.077 0.000 1.098 1010 F CA -0.109 57.876 58.000 -0.025 0.000 1.228 1010 F CB 1.275 40.283 39.000 0.013 0.000 1.042 1010 F HN 0.610 nan 8.300 nan 0.000 0.557 1011 G N 0.361 109.260 108.800 0.165 0.000 2.356 1011 G HA2 0.373 4.333 3.960 0.000 0.000 0.281 1011 G HA3 0.373 4.333 3.960 0.000 0.000 0.281 1011 G C -1.954 173.011 174.900 0.110 0.000 1.246 1011 G CA -0.911 44.288 45.100 0.165 0.000 0.889 1011 G HN -0.108 nan 8.290 nan 0.000 0.486 1012 M N 1.410 121.101 119.600 0.152 0.000 2.167 1012 M HA 0.692 5.173 4.480 0.000 0.000 0.333 1012 M C -0.733 175.663 176.300 0.159 0.000 1.030 1012 M CA -0.654 54.708 55.300 0.103 0.000 0.963 1012 M CB 1.610 34.272 32.600 0.103 0.000 1.589 1012 M HN 0.398 nan 8.290 nan 0.000 0.431 1013 V N 6.661 126.590 119.914 0.025 0.000 2.461 1013 V HA 0.335 4.455 4.120 0.000 0.000 0.275 1013 V C -0.766 175.306 176.094 -0.036 0.000 1.047 1013 V CA -0.246 62.097 62.300 0.071 0.000 0.955 1013 V CB -0.183 31.652 31.823 0.020 0.000 0.988 1013 V HN 0.797 nan 8.190 nan 0.000 0.471 1014 Y N 1.931 122.243 120.300 0.020 0.000 2.468 1014 Y HA 0.478 5.028 4.550 0.000 0.000 0.342 1014 Y C 0.464 176.371 175.900 0.012 0.000 1.021 1014 Y CA -0.728 57.380 58.100 0.015 0.000 1.079 1014 Y CB 1.726 40.196 38.460 0.016 0.000 1.226 1014 Y HN 0.650 nan 8.280 nan 0.000 0.460 1015 E N 0.915 121.202 120.200 0.145 0.000 2.314 1015 E HA 0.664 5.014 4.350 0.000 0.000 0.262 1015 E C -0.200 176.463 176.600 0.104 0.000 1.093 1015 E CA -0.224 56.232 56.400 0.093 0.000 0.908 1015 E CB 1.245 30.974 29.700 0.049 0.000 1.091 1015 E HN 0.882 nan 8.360 nan 0.000 0.425 1016 G N -0.058 108.781 108.800 0.065 0.000 2.317 1016 G HA2 0.290 4.250 3.960 0.000 0.000 0.293 1016 G HA3 0.290 4.250 3.960 0.000 0.000 0.293 1016 G C -1.651 173.268 174.900 0.032 0.000 1.287 1016 G CA -0.376 44.754 45.100 0.050 0.000 0.850 1016 G HN 0.478 nan 8.290 nan 0.000 0.515 1017 V N 0.121 120.048 119.914 0.022 0.000 2.540 1017 V HA 0.785 4.905 4.120 0.000 0.000 0.302 1017 V C 0.428 176.530 176.094 0.013 0.000 1.035 1017 V CA -0.289 62.021 62.300 0.016 0.000 0.873 1017 V CB 1.236 33.067 31.823 0.012 0.000 0.992 1017 V HN 1.689 nan 8.190 nan 0.000 0.428 1018 A N 4.498 127.326 122.820 0.014 0.000 2.258 1018 A HA 0.620 4.940 4.320 0.000 0.000 0.316 1018 A C 0.050 177.640 177.584 0.009 0.000 1.279 1018 A CA -0.668 51.376 52.037 0.012 0.000 0.876 1018 A CB 0.374 19.386 19.000 0.019 0.000 1.170 1018 A HN 0.813 nan 8.150 nan 0.000 0.520 1019 K N 1.346 121.749 120.400 0.005 0.000 2.237 1019 K HA 0.377 4.697 4.320 0.000 0.000 0.270 1019 K C 0.987 177.588 176.600 0.002 0.000 1.015 1019 K CA 0.466 56.754 56.287 0.003 0.000 0.949 1019 K CB 0.656 33.156 32.500 -0.000 0.000 0.976 1019 K HN 1.237 nan 8.250 nan 0.000 0.472 1020 G N 1.246 110.046 108.800 0.000 0.000 2.385 1020 G HA2 -0.237 3.723 3.960 0.000 0.000 0.284 1020 G HA3 -0.237 3.723 3.960 0.000 0.000 0.284 1020 G C 0.472 175.371 174.900 -0.002 0.000 0.899 1020 G CA 0.838 45.937 45.100 -0.003 0.000 1.204 1020 G HN 0.506 nan 8.290 nan 0.000 0.486 1021 V N -0.019 119.896 119.914 0.003 0.000 3.048 1021 V HA 0.486 4.606 4.120 0.000 0.000 0.241 1021 V C 1.174 177.272 176.094 0.007 0.000 1.129 1021 V CA 1.659 63.964 62.300 0.009 0.000 1.128 1021 V CB 0.846 32.681 31.823 0.020 0.000 0.849 1021 V HN 1.233 nan 8.190 nan 0.000 0.475 1022 V N 1.714 121.632 119.914 0.006 0.000 2.540 1022 V HA 0.638 4.758 4.120 0.000 0.000 0.302 1022 V C -0.430 175.664 176.094 -0.001 0.000 1.035 1022 V CA -1.100 61.202 62.300 0.004 0.000 0.873 1022 V CB 1.442 33.272 31.823 0.012 0.000 0.992 1022 V HN 0.539 nan 8.190 nan 0.000 0.428 1023 K N 4.988 125.384 120.400 -0.007 0.000 2.569 1023 K HA 0.179 4.499 4.320 0.000 0.000 0.280 1023 K C 0.416 177.015 176.600 -0.002 0.000 0.984 1023 K CA 1.214 57.496 56.287 -0.008 0.000 1.064 1023 K CB -0.234 32.259 32.500 -0.011 0.000 0.866 1023 K HN 0.842 nan 8.250 nan 0.000 0.492 1024 D N 0.178 120.577 120.400 -0.002 0.000 2.553 1024 D HA -0.159 4.481 4.640 0.000 0.000 0.178 1024 D C -0.833 175.468 176.300 0.002 0.000 0.951 1024 D CA 1.330 55.331 54.000 0.001 0.000 1.015 1024 D CB -0.631 40.172 40.800 0.004 0.000 1.069 1024 D HN 0.793 nan 8.370 nan 0.000 0.463 1025 E N 0.191 120.392 120.200 0.002 0.000 2.220 1025 E HA 0.288 4.638 4.350 0.000 0.000 0.256 1025 E C -2.039 174.562 176.600 0.002 0.000 0.881 1025 E CA -1.723 54.679 56.400 0.004 0.000 0.766 1025 E CB 2.174 31.878 29.700 0.006 0.000 1.187 1025 E HN -0.120 nan 8.360 nan 0.000 0.419 1026 P HA -0.169 nan 4.420 nan 0.000 0.216 1026 P C -0.363 176.938 177.300 0.002 0.000 1.150 1026 P CA 1.426 64.527 63.100 0.001 0.000 0.843 1026 P CB 0.413 32.114 31.700 0.001 0.000 0.787 1027 E N -2.699 117.503 120.200 0.004 0.000 2.433 1027 E HA 0.582 4.932 4.350 0.000 0.000 0.273 1027 E C -0.899 175.706 176.600 0.008 0.000 0.950 1027 E CA -0.689 55.715 56.400 0.006 0.000 0.796 1027 E CB 2.307 32.011 29.700 0.006 0.000 1.330 1027 E HN -0.286 nan 8.360 nan 0.000 0.455 1028 T N 0.552 115.112 114.554 0.009 0.000 2.886 1028 T HA 0.303 4.653 4.350 0.000 0.000 0.330 1028 T C -1.116 173.591 174.700 0.012 0.000 1.488 1028 T CA -0.910 61.197 62.100 0.011 0.000 1.054 1028 T CB 1.287 70.163 68.868 0.013 0.000 1.348 1028 T HN 0.272 nan 8.240 nan 0.000 0.489 1029 R N 1.292 121.798 120.500 0.010 0.000 2.308 1029 R HA 0.719 5.060 4.340 0.000 0.000 0.305 1029 R C -0.228 176.080 176.300 0.014 0.000 1.053 1029 R CA -0.640 55.467 56.100 0.011 0.000 0.957 1029 R CB 0.912 31.215 30.300 0.004 0.000 1.022 1029 R HN 0.511 nan 8.270 nan 0.000 0.461 1030 V N -1.260 118.668 119.914 0.023 0.000 3.159 1030 V HA 0.839 4.959 4.120 0.000 0.000 0.308 1030 V C -0.566 175.552 176.094 0.040 0.000 1.190 1030 V CA -1.388 60.930 62.300 0.030 0.000 1.037 1030 V CB 1.916 33.761 31.823 0.036 0.000 1.060 1030 V HN 0.811 nan 8.190 nan 0.000 0.437 1031 A N 2.777 125.624 122.820 0.045 0.000 2.310 1031 A HA 0.880 5.200 4.320 0.000 0.000 0.299 1031 A C -0.500 177.133 177.584 0.083 0.000 1.147 1031 A CA -0.593 51.481 52.037 0.062 0.000 0.818 1031 A CB 0.470 19.499 19.000 0.048 0.000 1.096 1031 A HN 0.822 nan 8.150 nan 0.000 0.495 1032 I N 1.687 122.328 120.570 0.119 0.000 2.447 1032 I HA 0.370 4.540 4.170 0.000 0.000 0.287 1032 I C -0.125 176.103 176.117 0.186 0.000 1.023 1032 I CA -0.433 60.940 61.300 0.122 0.000 1.083 1032 I CB 1.513 39.560 38.000 0.080 0.000 1.245 1032 I HN 0.771 nan 8.210 nan 0.000 0.434 1033 K N 4.296 124.796 120.400 0.167 0.000 2.159 1033 K HA 0.597 4.917 4.320 0.000 0.000 0.266 1033 K C -0.347 176.356 176.600 0.172 0.000 0.975 1033 K CA -0.308 56.109 56.287 0.217 0.000 0.865 1033 K CB 1.283 33.941 32.500 0.264 0.000 1.087 1033 K HN 0.740 nan 8.250 nan 0.000 0.446 1034 T N 0.347 115.017 114.554 0.193 0.000 2.791 1034 T HA 0.392 4.742 4.350 0.000 0.000 0.288 1034 T C -0.370 174.419 174.700 0.148 0.000 0.999 1034 T CA -0.949 61.217 62.100 0.110 0.000 0.952 1034 T CB 0.937 69.839 68.868 0.057 0.000 0.938 1034 T HN 0.178 nan 8.240 nan 0.000 0.444 1035 V N 5.175 125.147 119.914 0.097 0.000 2.406 1035 V HA 0.332 4.452 4.120 0.000 0.000 0.272 1035 V C 0.760 176.881 176.094 0.044 0.000 1.043 1035 V CA -1.213 61.151 62.300 0.106 0.000 0.915 1035 V CB -0.068 31.771 31.823 0.027 0.000 0.988 1035 V HN 0.979 nan 8.190 nan 0.000 0.466 1036 N N 3.785 122.524 118.700 0.065 0.000 2.408 1036 N HA 0.169 4.909 4.740 0.000 0.000 0.260 1036 N C 0.666 176.188 175.510 0.019 0.000 1.242 1036 N CA -0.606 52.467 53.050 0.039 0.000 0.959 1036 N CB 1.494 40.012 38.487 0.052 0.000 1.201 1036 N HN 0.620 nan 8.380 nan 0.000 0.511 1037 E N 0.134 120.340 120.200 0.010 0.000 2.085 1037 E HA -0.152 4.198 4.350 0.000 0.000 0.194 1037 E C 0.643 177.250 176.600 0.012 0.000 0.994 1037 E CA 1.357 57.759 56.400 0.004 0.000 0.801 1037 E CB -0.215 29.488 29.700 0.005 0.000 0.743 1037 E HN 0.748 nan 8.360 nan 0.000 0.453 1038 A N 1.088 123.921 122.820 0.022 0.000 2.863 1038 A HA 0.286 4.606 4.320 0.000 0.000 0.246 1038 A C 0.072 177.677 177.584 0.034 0.000 1.772 1038 A CA 0.648 52.701 52.037 0.026 0.000 1.456 1038 A CB -0.634 18.383 19.000 0.029 0.000 0.930 1038 A HN 0.155 nan 8.150 nan 0.000 0.630 1039 A N 0.446 123.282 122.820 0.027 0.000 2.402 1039 A HA 0.635 4.955 4.320 0.000 0.000 0.291 1039 A C 0.551 178.140 177.584 0.009 0.000 1.051 1039 A CA 0.022 52.079 52.037 0.032 0.000 0.716 1039 A CB 0.406 19.434 19.000 0.047 0.000 1.223 1039 A HN 1.043 nan 8.150 nan 0.000 0.425 1040 S N 2.168 117.874 115.700 0.009 0.000 3.107 1040 S HA -0.039 4.431 4.470 0.000 0.000 0.261 1040 S C 1.287 175.870 174.600 -0.027 0.000 1.484 1040 S CA 1.005 59.202 58.200 -0.004 0.000 1.051 1040 S CB -0.056 63.145 63.200 0.001 0.000 0.874 1040 S HN 0.995 nan 8.310 nan 0.000 0.522 1041 M N -0.647 118.934 119.600 -0.033 0.000 2.534 1041 M HA 0.144 4.624 4.480 0.000 0.000 0.263 1041 M C 2.394 178.636 176.300 -0.097 0.000 1.152 1041 M CA 0.356 55.620 55.300 -0.060 0.000 1.145 1041 M CB -0.074 32.506 32.600 -0.033 0.000 1.333 1041 M HN 0.630 nan 8.290 nan 0.000 0.477 1042 R N 0.863 121.323 120.500 -0.067 0.000 2.070 1042 R HA -0.167 4.173 4.340 0.000 0.000 0.233 1042 R C 2.116 178.353 176.300 -0.105 0.000 1.137 1042 R CA 2.023 58.079 56.100 -0.073 0.000 0.945 1042 R CB -0.311 29.971 30.300 -0.031 0.000 0.845 1042 R HN 0.505 nan 8.270 nan 0.000 0.430 1043 E N 0.728 120.879 120.200 -0.081 0.000 2.150 1043 E HA -0.235 4.115 4.350 0.000 0.000 0.193 1043 E C 1.806 178.232 176.600 -0.290 0.000 0.985 1043 E CA 1.303 57.636 56.400 -0.112 0.000 0.814 1043 E CB -0.478 29.236 29.700 0.025 0.000 0.752 1043 E HN 0.257 nan 8.360 nan 0.000 0.466 1044 R N 0.366 120.729 120.500 -0.228 0.000 2.119 1044 R HA 0.110 4.450 4.340 0.000 0.000 0.222 1044 R C 2.578 178.674 176.300 -0.340 0.000 1.088 1044 R CA 0.789 56.723 56.100 -0.276 0.000 0.984 1044 R CB -0.081 30.085 30.300 -0.224 0.000 0.884 1044 R HN 0.212 nan 8.270 nan 0.000 0.447 1045 I N 0.595 120.948 120.570 -0.361 0.000 2.202 1045 I HA -0.219 3.951 4.170 0.000 0.000 0.242 1045 I C 2.369 178.271 176.117 -0.359 0.000 1.091 1045 I CA 1.165 62.155 61.300 -0.517 0.000 1.368 1045 I CB -0.373 37.246 38.000 -0.635 0.000 1.058 1045 I HN 0.278 nan 8.210 nan 0.000 0.410 1046 E N 0.888 120.930 120.200 -0.263 0.000 2.049 1046 E HA -0.285 4.065 4.350 0.000 0.000 0.198 1046 E C 2.132 178.619 176.600 -0.188 0.000 1.007 1046 E CA 1.872 58.167 56.400 -0.176 0.000 0.809 1046 E CB -0.278 29.357 29.700 -0.109 0.000 0.749 1046 E HN 0.440 nan 8.360 nan 0.000 0.450 1047 F N 0.919 120.451 119.950 -0.697 0.000 2.024 1047 F HA -0.350 4.177 4.527 0.000 0.000 0.296 1047 F C 2.225 177.822 175.800 -0.340 0.000 1.137 1047 F CA 1.206 58.726 58.000 -0.800 0.000 1.200 1047 F CB -0.173 38.202 39.000 -1.041 0.000 0.954 1047 F HN 0.035 nan 8.300 nan 0.000 0.497 1048 L N 0.923 122.156 121.223 0.016 0.000 2.187 1048 L HA -0.267 4.073 4.340 0.000 0.000 0.213 1048 L C 1.936 178.773 176.870 -0.055 0.000 1.100 1048 L CA 1.788 56.569 54.840 -0.098 0.000 0.765 1048 L CB -1.282 40.633 42.059 -0.240 0.000 0.904 1048 L HN 0.283 nan 8.230 nan 0.000 0.437 1049 N N -1.066 117.596 118.700 -0.063 0.000 2.250 1049 N HA -0.186 4.554 4.740 0.000 0.000 0.181 1049 N C 1.723 177.207 175.510 -0.043 0.000 1.017 1049 N CA 0.806 53.828 53.050 -0.045 0.000 0.866 1049 N CB 0.143 38.607 38.487 -0.039 0.000 0.985 1049 N HN 0.478 nan 8.380 nan 0.000 0.429 1050 E N 1.697 121.893 120.200 -0.006 0.000 2.021 1050 E HA -0.207 4.143 4.350 0.000 0.000 0.200 1050 E C 1.930 178.498 176.600 -0.053 0.000 1.015 1050 E CA 1.439 57.836 56.400 -0.005 0.000 0.824 1050 E CB -0.138 29.594 29.700 0.053 0.000 0.762 1050 E HN 0.276 nan 8.360 nan 0.000 0.454 1051 A N 0.508 123.336 122.820 0.012 0.000 2.093 1051 A HA -0.233 4.087 4.320 0.000 0.000 0.222 1051 A C 2.291 179.719 177.584 -0.260 0.000 1.162 1051 A CA 1.975 53.971 52.037 -0.068 0.000 0.655 1051 A CB -0.901 18.133 19.000 0.057 0.000 0.805 1051 A HN 0.382 nan 8.150 nan 0.000 0.461 1052 S N -0.994 114.575 115.700 -0.218 0.000 2.453 1052 S HA -0.055 4.415 4.470 0.000 0.000 0.231 1052 S C 1.643 176.052 174.600 -0.317 0.000 1.005 1052 S CA 1.435 59.476 58.200 -0.266 0.000 0.949 1052 S CB -0.293 62.825 63.200 -0.137 0.000 0.774 1052 S HN 0.333 nan 8.310 nan 0.000 0.510 1053 V N 1.986 121.687 119.914 -0.355 0.000 2.825 1053 V HA 0.026 4.146 4.120 0.000 0.000 0.246 1053 V C 2.481 177.999 176.094 -0.960 0.000 1.068 1053 V CA 0.906 62.876 62.300 -0.549 0.000 1.088 1053 V CB -0.534 30.985 31.823 -0.507 0.000 0.733 1053 V HN 0.438 nan 8.190 nan 0.000 0.468 1054 M N 1.034 120.183 119.600 -0.751 0.000 2.113 1054 M HA -0.321 4.159 4.480 0.000 0.000 0.255 1054 M C 2.692 178.614 176.300 -0.630 0.000 1.073 1054 M CA 3.012 57.898 55.300 -0.691 0.000 1.091 1054 M CB -1.351 31.067 32.600 -0.303 0.000 1.309 1054 M HN 0.509 nan 8.290 nan 0.000 0.407 1055 K N 0.687 120.727 120.400 -0.601 0.000 2.090 1055 K HA -0.295 4.025 4.320 0.000 0.000 0.218 1055 K C 1.676 178.239 176.600 -0.061 0.000 1.055 1055 K CA 2.639 58.610 56.287 -0.526 0.000 0.941 1055 K CB -1.772 30.323 32.500 -0.674 0.000 0.722 1055 K HN 0.665 nan 8.250 nan 0.000 0.458 1056 E N -1.041 119.008 120.200 -0.252 0.000 2.085 1056 E HA -0.075 4.275 4.350 0.000 0.000 0.194 1056 E C -0.012 176.656 176.600 0.113 0.000 0.994 1056 E CA 0.635 56.984 56.400 -0.086 0.000 0.801 1056 E CB -0.215 29.389 29.700 -0.159 0.000 0.743 1056 E HN 0.551 nan 8.360 nan 0.000 0.453 1057 F N 1.271 121.227 119.950 0.010 0.000 2.506 1057 F HA 0.190 4.717 4.527 0.000 0.000 0.371 1057 F C 0.235 176.046 175.800 0.019 0.000 1.078 1057 F CA -0.336 57.715 58.000 0.084 0.000 1.195 1057 F CB -0.114 38.809 39.000 -0.129 0.000 1.099 1057 F HN -0.015 nan 8.300 nan 0.000 0.548 1058 N N 2.831 121.637 118.700 0.177 0.000 2.762 1058 N HA 0.393 5.133 4.740 0.000 0.000 0.252 1058 N C -1.681 173.667 175.510 -0.271 0.000 1.269 1058 N CA -0.198 52.859 53.050 0.012 0.000 0.799 1058 N CB 0.475 39.026 38.487 0.106 0.000 1.173 1058 N HN 0.677 nan 8.380 nan 0.000 0.516 1059 C N 2.082 121.126 119.300 -0.427 0.000 2.634 1059 C HA 0.373 4.833 4.460 0.000 0.000 0.313 1059 C C 1.608 176.442 174.990 -0.260 0.000 1.198 1059 C CA -0.461 58.233 59.018 -0.541 0.000 1.605 1059 C CB 0.896 28.046 27.740 -0.984 0.000 2.196 1059 C HN 0.921 nan 8.230 nan 0.000 0.486 1060 H N 0.813 119.685 119.070 -0.330 0.000 2.491 1060 H HA 0.017 4.573 4.556 0.000 0.000 0.290 1060 H C 1.001 176.115 175.328 -0.357 0.000 1.050 1060 H CA 2.086 57.915 56.048 -0.366 0.000 1.309 1060 H CB 0.002 29.474 29.762 -0.483 0.000 1.392 1060 H HN 0.862 nan 8.280 nan 0.000 0.554 1061 H N -1.346 117.722 119.070 -0.004 0.000 2.505 1061 H HA 0.331 4.887 4.556 0.000 0.000 0.286 1061 H C -0.659 174.661 175.328 -0.013 0.000 1.072 1061 H CA -0.361 55.697 56.048 0.017 0.000 1.141 1061 H CB 0.846 30.678 29.762 0.117 0.000 1.550 1061 H HN 0.022 nan 8.280 nan 0.000 0.547 1062 V N 1.657 121.577 119.914 0.011 0.000 2.555 1062 V HA 0.140 4.260 4.120 0.000 0.000 0.302 1062 V C 0.025 176.157 176.094 0.064 0.000 1.038 1062 V CA -1.090 61.260 62.300 0.084 0.000 0.887 1062 V CB 2.464 34.320 31.823 0.055 0.000 0.991 1062 V HN 0.017 nan 8.190 nan 0.000 0.434 1063 V N 5.413 125.397 119.914 0.117 0.000 2.446 1063 V HA 0.230 4.350 4.120 0.000 0.000 0.276 1063 V C 0.576 176.741 176.094 0.118 0.000 1.030 1063 V CA 0.005 62.348 62.300 0.073 0.000 1.033 1063 V CB 0.119 31.977 31.823 0.057 0.000 0.993 1063 V HN 0.793 nan 8.190 nan 0.000 0.477 1064 R N 4.125 124.664 120.500 0.065 0.000 2.486 1064 R HA 0.517 4.857 4.340 0.000 0.000 0.286 1064 R C -0.528 175.824 176.300 0.086 0.000 0.999 1064 R CA -0.860 55.290 56.100 0.084 0.000 0.993 1064 R CB 1.180 31.518 30.300 0.063 0.000 1.084 1064 R HN 0.718 nan 8.270 nan 0.000 0.487 1065 L N 5.608 126.879 121.223 0.081 0.000 2.360 1065 L HA 0.095 4.435 4.340 0.000 0.000 0.276 1065 L C 0.820 177.807 176.870 0.194 0.000 1.121 1065 L CA -0.113 54.768 54.840 0.068 0.000 0.845 1065 L CB 0.734 42.736 42.059 -0.094 0.000 1.143 1065 L HN 0.796 nan 8.230 nan 0.000 0.452 1066 L N 4.817 126.142 121.223 0.171 0.000 2.202 1066 L HA 0.338 4.678 4.340 0.000 0.000 0.205 1066 L C 0.984 178.031 176.870 0.295 0.000 1.083 1066 L CA 0.633 55.592 54.840 0.197 0.000 0.790 1066 L CB -0.318 41.807 42.059 0.109 0.000 0.942 1066 L HN 0.821 nan 8.230 nan 0.000 0.452 1067 G N -0.723 108.236 108.800 0.265 0.000 2.313 1067 G HA2 0.336 4.296 3.960 0.000 0.000 0.296 1067 G HA3 0.336 4.296 3.960 0.000 0.000 0.296 1067 G C -2.065 172.919 174.900 0.141 0.000 1.356 1067 G CA 0.035 45.319 45.100 0.307 0.000 0.833 1067 G HN -0.147 nan 8.290 nan 0.000 0.552 1068 V N -0.827 119.159 119.914 0.119 0.000 2.760 1068 V HA 0.763 4.883 4.120 0.000 0.000 0.309 1068 V C -0.770 175.330 176.094 0.009 0.000 1.077 1068 V CA -0.814 61.499 62.300 0.021 0.000 0.910 1068 V CB 1.735 33.525 31.823 -0.055 0.000 1.008 1068 V HN 1.069 nan 8.190 nan 0.000 0.424 1069 V N 6.823 126.724 119.914 -0.022 0.000 2.356 1069 V HA 0.270 4.390 4.120 0.000 0.000 0.258 1069 V C 1.397 177.454 176.094 -0.062 0.000 1.065 1069 V CA 0.871 63.152 62.300 -0.032 0.000 0.935 1069 V CB 0.516 32.318 31.823 -0.035 0.000 1.061 1069 V HN 1.164 nan 8.190 nan 0.000 0.484 1070 S N 3.192 118.857 115.700 -0.058 0.000 2.492 1070 S HA 0.113 4.583 4.470 0.000 0.000 0.218 1070 S C 0.745 175.293 174.600 -0.087 0.000 1.016 1070 S CA -0.171 57.976 58.200 -0.088 0.000 0.916 1070 S CB 0.074 63.224 63.200 -0.084 0.000 0.791 1070 S HN 0.711 nan 8.310 nan 0.000 0.513 1071 Q N 1.802 121.566 119.800 -0.059 0.000 2.566 1071 Q HA 0.623 4.963 4.340 0.000 0.000 0.221 1071 Q C -0.074 175.901 176.000 -0.041 0.000 1.195 1071 Q CA -0.310 55.465 55.803 -0.047 0.000 0.967 1071 Q CB 0.752 29.473 28.738 -0.028 0.000 1.337 1071 Q HN 0.619 nan 8.270 nan 0.000 0.553 1072 G N 0.336 109.107 108.800 -0.048 0.000 2.441 1072 G HA2 0.028 3.988 3.960 0.000 0.000 0.294 1072 G HA3 0.028 3.988 3.960 0.000 0.000 0.294 1072 G C -0.188 174.686 174.900 -0.044 0.000 1.393 1072 G CA -0.382 44.693 45.100 -0.043 0.000 0.796 1072 G HN 0.204 nan 8.290 nan 0.000 0.494 1073 Q N -0.895 118.883 119.800 -0.037 0.000 2.123 1073 Q HA 0.100 4.440 4.340 0.000 0.000 0.196 1073 Q C -1.494 174.483 176.000 -0.037 0.000 0.958 1073 Q CA 1.188 56.972 55.803 -0.031 0.000 0.841 1073 Q CB -0.469 28.256 28.738 -0.022 0.000 0.915 1073 Q HN 0.404 nan 8.270 nan 0.000 0.455 1074 P HA 0.225 nan 4.420 nan 0.000 0.295 1074 P C -1.078 176.180 177.300 -0.070 0.000 1.404 1074 P CA -0.201 62.870 63.100 -0.047 0.000 0.939 1074 P CB 1.233 32.907 31.700 -0.043 0.000 1.033 1075 T N 4.076 118.572 114.554 -0.096 0.000 2.933 1075 T HA 0.075 4.425 4.350 0.000 0.000 0.306 1075 T C 0.450 175.080 174.700 -0.116 0.000 1.045 1075 T CA 0.531 62.549 62.100 -0.136 0.000 1.143 1075 T CB -0.065 68.668 68.868 -0.225 0.000 1.003 1075 T HN 0.214 nan 8.240 nan 0.000 0.540 1076 L N 3.870 125.034 121.223 -0.098 0.000 2.296 1076 L HA 0.494 4.834 4.340 0.000 0.000 0.286 1076 L C -0.261 176.580 176.870 -0.047 0.000 1.023 1076 L CA -1.009 53.796 54.840 -0.058 0.000 0.812 1076 L CB 1.546 43.577 42.059 -0.046 0.000 1.223 1076 L HN 0.351 nan 8.230 nan 0.000 0.421 1077 V N 4.596 124.516 119.914 0.009 0.000 2.394 1077 V HA 0.362 4.482 4.120 0.000 0.000 0.282 1077 V C -0.055 176.082 176.094 0.072 0.000 1.031 1077 V CA -0.463 61.867 62.300 0.050 0.000 0.881 1077 V CB 1.824 33.749 31.823 0.171 0.000 0.982 1077 V HN 0.428 nan 8.190 nan 0.000 0.451 1078 I N 6.277 126.884 120.570 0.063 0.000 2.328 1078 I HA 0.442 4.612 4.170 0.000 0.000 0.287 1078 I C 0.136 176.298 176.117 0.074 0.000 1.012 1078 I CA 0.168 61.508 61.300 0.067 0.000 1.195 1078 I CB 1.111 39.148 38.000 0.062 0.000 1.350 1078 I HN 0.407 nan 8.210 nan 0.000 0.464 1079 M N 4.022 123.663 119.600 0.070 0.000 2.578 1079 M HA 0.358 4.838 4.480 0.000 0.000 0.321 1079 M C 0.208 176.537 176.300 0.048 0.000 1.182 1079 M CA -0.727 54.611 55.300 0.063 0.000 0.965 1079 M CB 1.634 34.270 32.600 0.060 0.000 1.694 1079 M HN 0.528 nan 8.290 nan 0.000 0.461 1080 E N 2.195 122.420 120.200 0.041 0.000 2.608 1080 E HA -0.022 4.328 4.350 0.000 0.000 0.259 1080 E C -1.077 175.529 176.600 0.010 0.000 0.951 1080 E CA -0.020 56.392 56.400 0.020 0.000 0.945 1080 E CB 0.643 30.346 29.700 0.005 0.000 0.916 1080 E HN 0.478 nan 8.360 nan 0.000 0.477 1081 L N 6.224 127.449 121.223 0.004 0.000 2.319 1081 L HA 0.126 4.466 4.340 0.000 0.000 0.280 1081 L C -0.502 176.354 176.870 -0.023 0.000 1.099 1081 L CA -0.069 54.769 54.840 -0.003 0.000 0.828 1081 L CB 0.751 42.810 42.059 0.001 0.000 1.150 1081 L HN 0.724 nan 8.230 nan 0.000 0.442 1082 M N 5.425 125.008 119.600 -0.028 0.000 2.268 1082 M HA 0.140 4.620 4.480 0.000 0.000 0.340 1082 M C 1.348 177.613 176.300 -0.059 0.000 1.099 1082 M CA -0.390 54.880 55.300 -0.049 0.000 1.053 1082 M CB 0.401 32.974 32.600 -0.045 0.000 1.284 1082 M HN 0.582 nan 8.290 nan 0.000 0.410 1083 T N -0.692 113.818 114.554 -0.074 0.000 2.822 1083 T HA -0.140 4.210 4.350 0.000 0.000 0.270 1083 T C 1.387 176.042 174.700 -0.074 0.000 1.064 1083 T CA 1.230 63.287 62.100 -0.072 0.000 1.131 1083 T CB -0.123 68.691 68.868 -0.089 0.000 0.858 1083 T HN 0.587 nan 8.240 nan 0.000 0.483 1084 R N 1.322 121.760 120.500 -0.105 0.000 2.427 1084 R HA 0.447 4.787 4.340 0.000 0.000 0.262 1084 R C 1.486 177.777 176.300 -0.014 0.000 0.943 1084 R CA 0.176 56.230 56.100 -0.078 0.000 1.081 1084 R CB 0.104 30.291 30.300 -0.189 0.000 1.166 1084 R HN 0.549 nan 8.270 nan 0.000 0.534 1085 G N 2.413 111.200 108.800 -0.022 0.000 2.645 1085 G HA2 -0.289 3.671 3.960 0.000 0.000 0.239 1085 G HA3 -0.289 3.671 3.960 0.000 0.000 0.239 1085 G C -0.674 174.230 174.900 0.007 0.000 1.331 1085 G CA -0.170 44.930 45.100 0.000 0.000 0.890 1085 G HN 0.487 nan 8.290 nan 0.000 0.572 1086 D N 0.110 120.521 120.400 0.020 0.000 2.341 1086 D HA 0.260 4.900 4.640 0.000 0.000 0.245 1086 D C 1.694 178.039 176.300 0.075 0.000 1.106 1086 D CA -0.237 53.775 54.000 0.020 0.000 0.905 1086 D CB 1.659 42.458 40.800 -0.002 0.000 1.202 1086 D HN 0.559 nan 8.370 nan 0.000 0.426 1087 L N 2.359 123.624 121.223 0.070 0.000 2.079 1087 L HA -0.208 4.132 4.340 0.000 0.000 0.210 1087 L C 2.359 179.328 176.870 0.165 0.000 1.081 1087 L CA 1.842 56.763 54.840 0.135 0.000 0.752 1087 L CB -0.868 41.248 42.059 0.096 0.000 0.896 1087 L HN 0.602 nan 8.230 nan 0.000 0.433 1088 K N -0.928 119.533 120.400 0.102 0.000 1.978 1088 K HA -0.174 4.146 4.320 0.000 0.000 0.214 1088 K C 2.059 178.710 176.600 0.084 0.000 1.049 1088 K CA 1.925 58.267 56.287 0.091 0.000 0.939 1088 K CB -0.265 32.274 32.500 0.064 0.000 0.721 1088 K HN 0.393 nan 8.250 nan 0.000 0.441 1089 S N 0.260 116.005 115.700 0.076 0.000 2.372 1089 S HA -0.233 4.237 4.470 0.000 0.000 0.227 1089 S C 1.702 176.356 174.600 0.090 0.000 1.044 1089 S CA 1.754 59.994 58.200 0.066 0.000 1.050 1089 S CB -0.675 62.560 63.200 0.059 0.000 0.901 1089 S HN 0.445 nan 8.310 nan 0.000 0.447 1090 Y N 2.365 122.682 120.300 0.028 0.000 2.097 1090 Y HA -0.168 4.382 4.550 0.000 0.000 0.282 1090 Y C 1.980 177.902 175.900 0.038 0.000 1.152 1090 Y CA 1.395 59.522 58.100 0.045 0.000 1.136 1090 Y CB -0.696 37.803 38.460 0.066 0.000 0.975 1090 Y HN 0.138 nan 8.280 nan 0.000 0.498 1091 L N -0.229 120.962 121.223 -0.052 0.000 2.043 1091 L HA -0.291 4.049 4.340 0.000 0.000 0.212 1091 L C 2.568 179.346 176.870 -0.153 0.000 1.075 1091 L CA 1.365 56.120 54.840 -0.142 0.000 0.752 1091 L CB -0.550 41.511 42.059 0.004 0.000 0.891 1091 L HN 0.158 nan 8.230 nan 0.000 0.432 1092 R N -0.005 120.448 120.500 -0.079 0.000 2.115 1092 R HA -0.078 4.262 4.340 0.000 0.000 0.230 1092 R C 2.487 178.732 176.300 -0.092 0.000 1.111 1092 R CA 1.432 57.494 56.100 -0.064 0.000 0.976 1092 R CB -1.125 29.164 30.300 -0.019 0.000 0.870 1092 R HN 0.515 nan 8.270 nan 0.000 0.445 1093 S N 0.093 115.719 115.700 -0.124 0.000 2.515 1093 S HA 0.011 4.481 4.470 0.000 0.000 0.231 1093 S C 1.771 176.279 174.600 -0.154 0.000 0.987 1093 S CA 0.508 58.640 58.200 -0.114 0.000 0.936 1093 S CB -0.255 62.896 63.200 -0.081 0.000 0.766 1093 S HN 0.243 nan 8.310 nan 0.000 0.528 1094 L N 0.549 121.643 121.223 -0.216 0.000 2.591 1094 L HA 0.243 4.583 4.340 0.000 0.000 0.228 1094 L C 0.857 177.649 176.870 -0.130 0.000 1.133 1094 L CA -0.103 54.614 54.840 -0.205 0.000 0.880 1094 L CB -0.102 41.788 42.059 -0.281 0.000 1.033 1094 L HN 0.218 nan 8.230 nan 0.000 0.450 1095 R N 1.020 121.457 120.500 -0.106 0.000 2.500 1095 R HA 0.365 4.705 4.340 0.000 0.000 0.277 1095 R C -2.083 174.180 176.300 -0.062 0.000 1.026 1095 R CA -1.908 54.143 56.100 -0.081 0.000 1.058 1095 R CB -0.382 29.875 30.300 -0.072 0.000 1.078 1095 R HN -0.137 nan 8.270 nan 0.000 0.509 1096 P HA -0.114 nan 4.420 nan 0.000 0.270 1096 P C -0.243 177.036 177.300 -0.035 0.000 1.221 1096 P CA 0.039 63.113 63.100 -0.043 0.000 0.788 1096 P CB 0.311 31.987 31.700 -0.040 0.000 0.904 1103 V N -1.551 118.336 119.914 -0.045 0.000 2.332 1103 V HA -0.119 4.001 4.120 0.000 0.000 0.248 1103 V C 1.238 177.297 176.094 -0.059 0.000 1.055 1103 V CA 0.674 62.946 62.300 -0.048 0.000 1.038 1103 V CB -0.989 30.807 31.823 -0.044 0.000 0.651 1103 V HN 0.200 nan 8.190 nan 0.000 0.450 1104 L N 0.245 121.428 121.223 -0.065 0.000 3.879 1104 L HA -0.199 4.141 4.340 0.000 0.000 0.481 1104 L C 0.691 177.508 176.870 -0.089 0.000 1.232 1104 L CA 0.989 55.780 54.840 -0.081 0.000 0.736 1104 L CB -2.233 39.773 42.059 -0.089 0.000 1.511 1104 L HN 0.759 nan 8.230 nan 0.000 0.830 1105 A N 2.452 125.224 122.820 -0.081 0.000 2.371 1105 A HA 0.768 5.088 4.320 0.000 0.000 0.257 1105 A C -1.708 175.821 177.584 -0.093 0.000 1.089 1105 A CA -0.677 51.311 52.037 -0.082 0.000 0.794 1105 A CB 0.482 19.441 19.000 -0.068 0.000 1.029 1105 A HN 0.404 nan 8.150 nan 0.000 0.488 1106 P HA 0.542 nan 4.420 nan 0.000 0.287 1106 P C -2.875 174.377 177.300 -0.081 0.000 1.290 1106 P CA -1.946 61.095 63.100 -0.099 0.000 0.889 1106 P CB 0.090 31.724 31.700 -0.110 0.000 1.190 1107 P HA 0.001 nan 4.420 nan 0.000 0.266 1107 P C 0.251 177.519 177.300 -0.053 0.000 1.193 1107 P CA 0.222 63.287 63.100 -0.058 0.000 0.770 1107 P CB -0.031 31.649 31.700 -0.032 0.000 0.836 1108 S N 2.660 118.330 115.700 -0.050 0.000 2.561 1108 S HA -0.082 4.388 4.470 0.000 0.000 0.294 1108 S C 1.348 175.925 174.600 -0.040 0.000 1.294 1108 S CA -0.453 57.720 58.200 -0.044 0.000 1.055 1108 S CB -0.059 63.115 63.200 -0.042 0.000 0.819 1108 S HN 0.504 nan 8.310 nan 0.000 0.503 1109 L N 2.378 123.578 121.223 -0.038 0.000 2.081 1109 L HA -0.153 4.187 4.340 0.000 0.000 0.212 1109 L C 2.736 179.585 176.870 -0.034 0.000 1.080 1109 L CA 2.221 57.040 54.840 -0.035 0.000 0.754 1109 L CB -1.022 41.019 42.059 -0.031 0.000 0.893 1109 L HN 1.018 nan 8.230 nan 0.000 0.433 1110 S N -0.388 115.292 115.700 -0.033 0.000 2.359 1110 S HA -0.208 4.262 4.470 0.000 0.000 0.224 1110 S C 1.886 176.466 174.600 -0.033 0.000 1.035 1110 S CA 1.395 59.575 58.200 -0.033 0.000 1.018 1110 S CB -0.001 63.181 63.200 -0.029 0.000 0.876 1110 S HN 0.428 nan 8.310 nan 0.000 0.448 1111 K N 0.030 120.412 120.400 -0.031 0.000 2.217 1111 K HA 0.033 4.353 4.320 0.000 0.000 0.202 1111 K C 2.175 178.769 176.600 -0.011 0.000 1.051 1111 K CA 0.985 57.258 56.287 -0.024 0.000 0.952 1111 K CB -0.206 32.273 32.500 -0.034 0.000 0.736 1111 K HN 0.427 nan 8.250 nan 0.000 0.453 1112 M N 0.651 120.240 119.600 -0.018 0.000 2.064 1112 M HA -0.143 4.337 4.480 0.000 0.000 0.260 1112 M C 2.056 178.343 176.300 -0.021 0.000 1.073 1112 M CA 1.264 56.554 55.300 -0.016 0.000 1.124 1112 M CB -0.214 32.367 32.600 -0.030 0.000 1.326 1112 M HN 0.009 nan 8.290 nan 0.000 0.410 1113 I N 0.447 120.997 120.570 -0.033 0.000 2.143 1113 I HA -0.352 3.818 4.170 0.000 0.000 0.245 1113 I C 2.470 178.549 176.117 -0.064 0.000 1.068 1113 I CA 1.832 63.105 61.300 -0.045 0.000 1.326 1113 I CB -1.444 36.521 38.000 -0.058 0.000 1.028 1113 I HN 0.410 nan 8.210 nan 0.000 0.412 1114 Q N 0.747 120.511 119.800 -0.059 0.000 2.045 1114 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 1114 Q C 2.285 178.262 176.000 -0.039 0.000 0.991 1114 Q CA 2.037 57.802 55.803 -0.063 0.000 0.851 1114 Q CB -0.323 28.403 28.738 -0.020 0.000 0.911 1114 Q HN 0.487 nan 8.270 nan 0.000 0.418 1115 M N -0.859 118.741 119.600 -0.000 0.000 2.086 1115 M HA -0.162 4.318 4.480 0.000 0.000 0.261 1115 M C 2.192 178.515 176.300 0.038 0.000 1.067 1115 M CA 1.621 56.935 55.300 0.025 0.000 1.116 1115 M CB -0.520 32.106 32.600 0.044 0.000 1.348 1115 M HN 0.323 nan 8.290 nan 0.000 0.407 1116 A N 0.609 123.454 122.820 0.041 0.000 1.908 1116 A HA -0.087 4.233 4.320 0.000 0.000 0.218 1116 A C 2.360 180.059 177.584 0.192 0.000 1.181 1116 A CA 2.050 54.172 52.037 0.141 0.000 0.627 1116 A CB -1.535 17.530 19.000 0.108 0.000 0.818 1116 A HN 0.574 nan 8.150 nan 0.000 0.445 1117 G N -0.703 108.103 108.800 0.010 0.000 2.403 1117 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 1117 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 1117 G C 1.429 176.292 174.900 -0.063 0.000 1.154 1117 G CA 0.894 45.933 45.100 -0.102 0.000 0.784 1117 G HN 0.656 nan 8.290 nan 0.000 0.538 1118 E N 0.087 120.220 120.200 -0.111 0.000 2.047 1118 E HA -0.020 4.330 4.350 0.000 0.000 0.191 1118 E C 2.465 178.994 176.600 -0.119 0.000 0.987 1118 E CA 0.496 56.714 56.400 -0.304 0.000 0.799 1118 E CB -0.133 29.409 29.700 -0.264 0.000 0.752 1118 E HN 0.427 nan 8.360 nan 0.000 0.449 1119 I N 1.175 121.770 120.570 0.041 0.000 2.286 1119 I HA -0.267 3.903 4.170 0.000 0.000 0.248 1119 I C 2.447 178.615 176.117 0.084 0.000 1.115 1119 I CA 0.975 62.350 61.300 0.125 0.000 1.392 1119 I CB -0.209 37.932 38.000 0.236 0.000 1.065 1119 I HN 0.095 nan 8.210 nan 0.000 0.418 1120 A N -0.097 122.780 122.820 0.095 0.000 2.016 1120 A HA -0.223 4.097 4.320 0.000 0.000 0.217 1120 A C 1.930 179.490 177.584 -0.041 0.000 1.162 1120 A CA 1.753 53.726 52.037 -0.106 0.000 0.662 1120 A CB -0.492 18.462 19.000 -0.077 0.000 0.812 1120 A HN 0.417 nan 8.150 nan 0.000 0.450 1121 D N -0.368 120.102 120.400 0.116 0.000 2.117 1121 D HA -0.039 4.601 4.640 0.000 0.000 0.198 1121 D C 1.971 178.396 176.300 0.209 0.000 0.982 1121 D CA 1.639 55.811 54.000 0.287 0.000 0.828 1121 D CB -0.341 40.748 40.800 0.482 0.000 0.967 1121 D HN 0.279 nan 8.370 nan 0.000 0.464 1122 G N 0.004 108.885 108.800 0.136 0.000 2.402 1122 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 1122 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 1122 G C 1.549 176.403 174.900 -0.076 0.000 1.162 1122 G CA 0.649 45.785 45.100 0.062 0.000 0.777 1122 G HN 0.169 nan 8.290 nan 0.000 0.539 1123 M N 1.189 120.639 119.600 -0.250 0.000 2.117 1123 M HA 0.051 4.531 4.480 0.000 0.000 0.262 1123 M C 3.022 179.079 176.300 -0.404 0.000 1.065 1123 M CA 1.284 56.265 55.300 -0.531 0.000 1.114 1123 M CB -1.168 30.574 32.600 -1.429 0.000 1.361 1123 M HN 0.320 nan 8.290 nan 0.000 0.408 1124 A N -0.964 121.718 122.820 -0.229 0.000 1.972 1124 A HA -0.225 4.095 4.320 0.000 0.000 0.219 1124 A C 2.123 179.581 177.584 -0.209 0.000 1.169 1124 A CA 1.387 53.455 52.037 0.051 0.000 0.635 1124 A CB -1.077 18.121 19.000 0.331 0.000 0.810 1124 A HN 0.530 nan 8.150 nan 0.000 0.446 1125 Y N 0.149 120.092 120.300 -0.595 0.000 2.163 1125 Y HA -0.126 4.424 4.550 0.000 0.000 0.288 1125 Y C 2.028 177.592 175.900 -0.559 0.000 1.136 1125 Y CA 1.640 59.133 58.100 -1.013 0.000 1.147 1125 Y CB -0.232 37.770 38.460 -0.763 0.000 0.987 1125 Y HN 0.207 nan 8.280 nan 0.000 0.509 1126 L N 0.394 121.421 121.223 -0.326 0.000 1.970 1126 L HA -0.331 4.009 4.340 0.000 0.000 0.212 1126 L C 1.997 178.778 176.870 -0.148 0.000 1.071 1126 L CA 2.292 56.944 54.840 -0.312 0.000 0.751 1126 L CB -0.764 41.173 42.059 -0.202 0.000 0.889 1126 L HN 0.414 nan 8.230 nan 0.000 0.432 1127 N N -0.670 117.981 118.700 -0.082 0.000 2.289 1127 N HA -0.143 4.597 4.740 0.000 0.000 0.184 1127 N C 1.777 177.259 175.510 -0.048 0.000 1.016 1127 N CA 0.826 53.880 53.050 0.006 0.000 0.872 1127 N CB -0.005 38.559 38.487 0.127 0.000 0.973 1127 N HN 0.348 nan 8.380 nan 0.000 0.433 1128 A N 1.764 124.505 122.820 -0.132 0.000 1.873 1128 A HA -0.066 4.254 4.320 0.000 0.000 0.215 1128 A C 1.671 179.169 177.584 -0.143 0.000 1.186 1128 A CA 0.993 52.967 52.037 -0.106 0.000 0.616 1128 A CB -0.288 18.642 19.000 -0.118 0.000 0.823 1128 A HN 0.284 nan 8.150 nan 0.000 0.442 1129 N N 0.279 118.840 118.700 -0.232 0.000 2.485 1129 N HA -0.015 4.725 4.740 0.000 0.000 0.199 1129 N C -0.629 174.799 175.510 -0.136 0.000 1.236 1129 N CA 0.243 53.220 53.050 -0.122 0.000 0.852 1129 N CB 0.109 38.562 38.487 -0.057 0.000 1.018 1129 N HN 0.143 nan 8.380 nan 0.000 0.457 1130 K N 0.213 120.515 120.400 -0.164 0.000 3.239 1130 K HA -0.157 4.163 4.320 0.000 0.000 0.270 1130 K C -1.238 175.074 176.600 -0.480 0.000 1.049 1130 K CA 0.792 56.917 56.287 -0.270 0.000 0.769 1130 K CB -1.923 30.398 32.500 -0.299 0.000 1.305 1130 K HN 0.170 nan 8.250 nan 0.000 0.469 1131 F N -0.748 119.183 119.950 -0.032 0.000 2.565 1131 F HA 0.432 4.959 4.527 0.000 0.000 0.313 1131 F C 0.500 176.317 175.800 0.029 0.000 1.091 1131 F CA -1.135 56.868 58.000 0.005 0.000 0.915 1131 F CB 1.734 40.741 39.000 0.012 0.000 1.208 1131 F HN -0.100 nan 8.300 nan 0.000 0.453 1132 V N 0.481 120.558 119.914 0.271 0.000 2.370 1132 V HA 0.311 4.431 4.120 0.000 0.000 0.283 1132 V C 0.768 177.027 176.094 0.275 0.000 1.023 1132 V CA -0.570 61.877 62.300 0.246 0.000 0.857 1132 V CB 1.134 33.084 31.823 0.212 0.000 0.985 1132 V HN 0.921 nan 8.190 nan 0.000 0.443 1133 H N 4.591 123.775 119.070 0.190 0.000 2.357 1133 H HA -0.003 4.553 4.556 0.000 0.000 0.301 1133 H C 1.782 177.176 175.328 0.110 0.000 1.082 1133 H CA 2.215 58.367 56.048 0.173 0.000 1.342 1133 H CB 0.237 30.094 29.762 0.157 0.000 1.389 1133 H HN 0.862 nan 8.280 nan 0.000 0.511 1134 R N -1.301 119.395 120.500 0.327 0.000 3.961 1134 R HA -0.198 4.143 4.340 0.000 0.000 0.457 1134 R C 0.077 176.471 176.300 0.157 0.000 0.854 1134 R CA 1.558 57.757 56.100 0.166 0.000 1.601 1134 R CB -1.403 28.805 30.300 -0.155 0.000 2.259 1134 R HN 0.319 nan 8.270 nan 0.000 0.486 1135 D N 0.081 120.570 120.400 0.148 0.000 2.582 1135 D HA 0.144 4.784 4.640 0.000 0.000 0.246 1135 D C -0.654 175.455 176.300 -0.319 0.000 1.334 1135 D CA -0.344 53.645 54.000 -0.019 0.000 0.805 1135 D CB 0.362 41.208 40.800 0.076 0.000 1.087 1135 D HN 0.009 nan 8.370 nan 0.000 0.499 1136 L N 1.647 122.621 121.223 -0.414 0.000 2.513 1136 L HA 0.462 4.802 4.340 0.000 0.000 0.272 1136 L C -0.366 176.417 176.870 -0.146 0.000 1.187 1136 L CA 0.397 54.998 54.840 -0.398 0.000 0.895 1136 L CB 0.252 42.237 42.059 -0.124 0.000 1.147 1136 L HN 0.105 nan 8.230 nan 0.000 0.483 1137 A N 3.893 126.593 122.820 -0.200 0.000 2.597 1137 A HA 0.665 4.985 4.320 0.000 0.000 0.292 1137 A C 0.481 178.011 177.584 -0.090 0.000 1.057 1137 A CA -0.187 51.725 52.037 -0.208 0.000 0.674 1137 A CB 0.353 18.886 19.000 -0.779 0.000 1.278 1137 A HN 1.077 nan 8.150 nan 0.000 0.416 1138 A N 0.753 123.600 122.820 0.045 0.000 1.986 1138 A HA -0.177 4.143 4.320 0.000 0.000 0.220 1138 A C 1.919 179.499 177.584 -0.007 0.000 1.171 1138 A CA 2.153 54.226 52.037 0.060 0.000 0.640 1138 A CB -0.553 18.528 19.000 0.135 0.000 0.811 1138 A HN 1.160 nan 8.150 nan 0.000 0.451 1139 R N -1.042 119.410 120.500 -0.079 0.000 2.280 1139 R HA 0.009 4.349 4.340 0.000 0.000 0.207 1139 R C 0.647 176.883 176.300 -0.107 0.000 1.043 1139 R CA 1.406 57.451 56.100 -0.092 0.000 1.006 1139 R CB -0.298 29.911 30.300 -0.151 0.000 0.885 1139 R HN 0.363 nan 8.270 nan 0.000 0.467 1140 N N 0.051 118.676 118.700 -0.126 0.000 2.282 1140 N HA 0.072 4.812 4.740 0.000 0.000 0.185 1140 N C -0.226 175.228 175.510 -0.093 0.000 1.099 1140 N CA 0.101 53.075 53.050 -0.126 0.000 0.878 1140 N CB 0.348 38.741 38.487 -0.157 0.000 0.993 1140 N HN 0.143 nan 8.380 nan 0.000 0.481 1141 C N 1.722 120.990 119.300 -0.053 0.000 2.459 1141 C HA 0.490 4.950 4.460 0.000 0.000 0.374 1141 C C 0.679 175.657 174.990 -0.020 0.000 1.241 1141 C CA -0.726 58.279 59.018 -0.022 0.000 2.352 1141 C CB 0.407 28.155 27.740 0.014 0.000 2.490 1141 C HN 0.218 nan 8.230 nan 0.000 0.583 1142 M N 1.501 121.089 119.600 -0.019 0.000 2.724 1142 M HA 0.599 5.079 4.480 0.000 0.000 0.310 1142 M C -0.915 175.362 176.300 -0.040 0.000 1.217 1142 M CA -0.556 54.727 55.300 -0.028 0.000 0.894 1142 M CB 1.467 34.046 32.600 -0.034 0.000 1.719 1142 M HN 0.322 nan 8.290 nan 0.000 0.479 1143 V N 1.010 120.878 119.914 -0.077 0.000 2.483 1143 V HA 0.655 4.775 4.120 0.000 0.000 0.297 1143 V C 0.128 176.124 176.094 -0.162 0.000 1.027 1143 V CA -0.916 61.296 62.300 -0.147 0.000 0.855 1143 V CB 1.349 32.990 31.823 -0.303 0.000 0.995 1143 V HN 1.024 nan 8.190 nan 0.000 0.424 1144 A N 2.752 125.484 122.820 -0.146 0.000 2.272 1144 A HA 0.564 4.884 4.320 0.000 0.000 0.275 1144 A C 1.241 178.662 177.584 -0.271 0.000 1.096 1144 A CA -0.027 51.920 52.037 -0.150 0.000 0.822 1144 A CB 0.386 19.337 19.000 -0.082 0.000 1.088 1144 A HN 0.918 nan 8.150 nan 0.000 0.495 1145 E N 0.231 120.292 120.200 -0.232 0.000 2.130 1145 E HA -0.227 4.123 4.350 0.000 0.000 0.196 1145 E C 0.865 177.192 176.600 -0.455 0.000 0.998 1145 E CA 2.164 58.378 56.400 -0.311 0.000 0.806 1145 E CB -0.092 29.509 29.700 -0.164 0.000 0.738 1145 E HN 0.720 nan 8.360 nan 0.000 0.459 1146 D N -1.580 118.678 120.400 -0.237 0.000 2.336 1146 D HA -0.046 4.594 4.640 0.000 0.000 0.228 1146 D C -0.126 176.221 176.300 0.078 0.000 1.120 1146 D CA -0.268 53.689 54.000 -0.071 0.000 0.839 1146 D CB -0.582 40.250 40.800 0.055 0.000 0.932 1146 D HN 0.273 nan 8.370 nan 0.000 0.509 1147 F N -1.345 118.576 119.950 -0.048 0.000 2.699 1147 F HA -0.238 4.289 4.527 0.000 0.000 0.343 1147 F C 0.430 176.184 175.800 -0.076 0.000 0.633 1147 F CA 0.678 58.608 58.000 -0.116 0.000 1.365 1147 F CB -2.593 36.357 39.000 -0.084 0.000 1.795 1147 F HN -0.099 nan 8.300 nan 0.000 0.304 1148 T N 1.906 116.518 114.554 0.097 0.000 2.916 1148 T HA 0.447 4.797 4.350 0.000 0.000 0.303 1148 T C 0.446 175.185 174.700 0.065 0.000 1.025 1148 T CA -0.152 62.024 62.100 0.128 0.000 1.142 1148 T CB 1.446 70.427 68.868 0.188 0.000 0.947 1148 T HN 0.036 nan 8.240 nan 0.000 0.544 1149 V N 4.890 124.853 119.914 0.083 0.000 2.435 1149 V HA 0.462 4.582 4.120 0.000 0.000 0.290 1149 V C 0.121 176.268 176.094 0.088 0.000 1.030 1149 V CA -0.646 61.684 62.300 0.050 0.000 0.881 1149 V CB 1.430 33.279 31.823 0.043 0.000 0.983 1149 V HN 0.767 nan 8.190 nan 0.000 0.445 1150 K N 4.307 124.745 120.400 0.063 0.000 2.426 1150 K HA 0.608 4.928 4.320 0.000 0.000 0.251 1150 K C -1.249 175.387 176.600 0.059 0.000 0.941 1150 K CA -1.009 55.330 56.287 0.086 0.000 0.808 1150 K CB 2.424 34.956 32.500 0.053 0.000 1.265 1150 K HN 0.328 nan 8.250 nan 0.000 0.432 1151 I N 1.604 122.227 120.570 0.089 0.000 2.648 1151 I HA 0.063 4.233 4.170 0.000 0.000 0.284 1151 I C 1.259 177.362 176.117 -0.023 0.000 1.153 1151 I CA 0.471 61.808 61.300 0.063 0.000 1.426 1151 I CB 0.430 38.531 38.000 0.168 0.000 1.381 1151 I HN 1.045 nan 8.210 nan 0.000 0.571 1152 G N 4.056 112.706 108.800 -0.250 0.000 2.599 1152 G HA2 0.004 3.964 3.960 0.000 0.000 0.196 1152 G HA3 0.004 3.964 3.960 0.000 0.000 0.196 1152 G C -0.119 174.449 174.900 -0.554 0.000 1.148 1152 G CA 0.089 45.020 45.100 -0.281 0.000 0.809 1152 G HN 0.542 nan 8.290 nan 0.000 0.764 1153 D N -0.189 119.767 120.400 -0.739 0.000 2.481 1153 D HA 0.463 5.103 4.640 0.000 0.000 0.246 1153 D C -0.817 175.061 176.300 -0.703 0.000 1.109 1153 D CA -0.905 52.771 54.000 -0.539 0.000 0.845 1153 D CB 1.137 41.790 40.800 -0.245 0.000 1.160 1153 D HN 0.056 nan 8.370 nan 0.000 0.534 1154 F N 1.380 121.264 119.950 -0.111 0.000 2.735 1154 F HA 0.309 4.837 4.527 0.000 0.000 0.304 1154 F C 2.075 177.800 175.800 -0.125 0.000 1.119 1154 F CA -0.711 57.172 58.000 -0.194 0.000 1.280 1154 F CB 1.182 40.092 39.000 -0.150 0.000 0.994 1154 F HN 0.501 nan 8.300 nan 0.000 0.520 1155 G N 0.197 109.003 108.800 0.010 0.000 2.470 1155 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 1155 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 1155 G C 1.384 176.289 174.900 0.008 0.000 1.121 1155 G CA 0.727 45.828 45.100 0.003 0.000 0.766 1155 G HN 0.294 nan 8.290 nan 0.000 0.553 1156 M N 0.815 120.423 119.600 0.014 0.000 2.313 1156 M HA 0.295 4.775 4.480 0.000 0.000 0.273 1156 M C 0.657 176.971 176.300 0.024 0.000 1.049 1156 M CA 0.065 55.368 55.300 0.005 0.000 1.004 1156 M CB 0.510 33.114 32.600 0.006 0.000 1.461 1156 M HN -0.118 nan 8.290 nan 0.000 0.514 1157 T N 2.270 116.857 114.554 0.055 0.000 2.926 1157 T HA 0.318 4.668 4.350 0.000 0.000 0.307 1157 T C 0.179 174.959 174.700 0.133 0.000 1.059 1157 T CA -0.172 61.985 62.100 0.095 0.000 1.122 1157 T CB 0.562 69.472 68.868 0.069 0.000 0.972 1157 T HN 0.137 nan 8.240 nan 0.000 0.545 1158 R N 1.634 122.263 120.500 0.214 0.000 2.807 1158 R HA 0.378 4.718 4.340 0.000 0.000 0.276 1158 R C -0.732 175.784 176.300 0.360 0.000 0.979 1158 R CA -0.875 55.361 56.100 0.227 0.000 0.928 1158 R CB 1.592 31.951 30.300 0.100 0.000 1.191 1158 R HN 0.668 nan 8.270 nan 0.000 0.471 1159 D N 2.584 123.109 120.400 0.208 0.000 2.256 1159 D HA 0.390 5.030 4.640 0.000 0.000 0.250 1159 D C -0.030 176.177 176.300 -0.154 0.000 1.093 1159 D CA -0.219 53.671 54.000 -0.183 0.000 0.882 1159 D CB 0.823 41.531 40.800 -0.153 0.000 1.185 1159 D HN 0.463 nan 8.370 nan 0.000 0.437 1163 T N -0.144 114.400 114.554 -0.016 0.000 13.111 1163 T HA -0.228 4.122 4.350 0.000 0.000 0.409 1163 T C 0.272 174.967 174.700 -0.008 0.000 1.518 1163 T CA 0.543 62.639 62.100 -0.006 0.000 2.479 1163 T CB -1.626 67.242 68.868 -0.001 0.000 2.698 1163 T HN 0.762 nan 8.240 nan 0.000 0.544 1168 K N 2.406 122.927 120.400 0.203 0.000 2.276 1168 K HA 0.358 4.678 4.320 0.000 0.000 0.285 1168 K C 0.715 177.374 176.600 0.098 0.000 1.062 1168 K CA 0.525 56.904 56.287 0.153 0.000 0.918 1168 K CB 1.288 33.922 32.500 0.222 0.000 1.055 1168 K HN 0.665 nan 8.250 nan 0.000 0.477 1169 G N 2.813 111.654 108.800 0.068 0.000 2.454 1169 G HA2 -0.040 3.920 3.960 0.000 0.000 0.214 1169 G HA3 -0.040 3.920 3.960 0.000 0.000 0.214 1169 G C 0.696 175.622 174.900 0.044 0.000 1.217 1169 G CA 0.659 45.789 45.100 0.049 0.000 0.799 1169 G HN 0.713 nan 8.290 nan 0.000 0.538 1170 G N -0.445 108.380 108.800 0.041 0.000 3.182 1170 G HA2 0.414 4.374 3.960 0.000 0.000 0.167 1170 G HA3 0.414 4.374 3.960 0.000 0.000 0.167 1170 G C -0.269 174.655 174.900 0.040 0.000 1.537 1170 G CA -0.376 44.745 45.100 0.035 0.000 1.046 1170 G HN 0.172 nan 8.290 nan 0.000 0.580 1171 K N 0.834 121.254 120.400 0.034 0.000 2.298 1171 K HA 0.461 4.781 4.320 0.000 0.000 0.280 1171 K C -0.018 176.607 176.600 0.041 0.000 1.032 1171 K CA -0.082 56.226 56.287 0.035 0.000 0.958 1171 K CB 0.784 33.300 32.500 0.027 0.000 0.978 1171 K HN 0.466 nan 8.250 nan 0.000 0.472 1172 G N 2.780 111.612 108.800 0.053 0.000 2.495 1172 G HA2 0.491 4.451 3.960 0.000 0.000 0.318 1172 G HA3 0.491 4.451 3.960 0.000 0.000 0.318 1172 G C 0.126 175.059 174.900 0.054 0.000 1.257 1172 G CA -0.569 44.567 45.100 0.060 0.000 0.962 1172 G HN 0.561 nan 8.290 nan 0.000 0.483 1173 L N 1.945 123.191 121.223 0.039 0.000 2.769 1173 L HA 0.295 4.635 4.340 0.000 0.000 0.240 1173 L C 0.508 177.402 176.870 0.040 0.000 1.163 1173 L CA -0.165 54.694 54.840 0.033 0.000 0.962 1173 L CB -0.032 42.033 42.059 0.011 0.000 1.258 1173 L HN 0.252 nan 8.230 nan 0.000 0.513 1174 L N 1.859 123.121 121.223 0.064 0.000 2.490 1174 L HA 0.122 4.462 4.340 0.000 0.000 0.274 1174 L C -1.739 175.204 176.870 0.122 0.000 1.201 1174 L CA -1.686 53.205 54.840 0.085 0.000 0.869 1174 L CB -0.120 42.024 42.059 0.140 0.000 1.123 1174 L HN -0.130 nan 8.230 nan 0.000 0.484 1175 P HA -0.093 nan 4.420 nan 0.000 0.261 1175 P C 0.744 178.242 177.300 0.330 0.000 1.183 1175 P CA 0.036 63.274 63.100 0.229 0.000 0.761 1175 P CB 0.625 32.448 31.700 0.205 0.000 0.785 1176 V N 3.554 123.622 119.914 0.257 0.000 2.871 1176 V HA -0.137 3.983 4.120 0.000 0.000 0.256 1176 V C 1.565 177.778 176.094 0.198 0.000 1.082 1176 V CA 1.005 63.415 62.300 0.184 0.000 1.105 1176 V CB -0.786 31.088 31.823 0.084 0.000 0.713 1176 V HN 0.382 nan 8.190 nan 0.000 0.473 1177 R N -0.841 119.829 120.500 0.284 0.000 2.280 1177 R HA 0.013 4.353 4.340 0.000 0.000 0.207 1177 R C 1.693 178.016 176.300 0.038 0.000 1.043 1177 R CA 1.339 57.496 56.100 0.095 0.000 1.006 1177 R CB -0.252 29.972 30.300 -0.127 0.000 0.885 1177 R HN 0.642 nan 8.270 nan 0.000 0.467 1178 W N 0.209 121.652 121.300 0.239 0.000 3.008 1178 W HA 0.307 4.967 4.660 0.000 0.000 0.355 1178 W C 0.261 177.000 176.519 0.367 0.000 1.095 1178 W CA -0.573 56.956 57.345 0.305 0.000 1.738 1178 W CB 0.322 29.915 29.460 0.222 0.000 1.091 1178 W HN -0.034 nan 8.180 nan 0.000 0.574 1179 M N 1.311 121.146 119.600 0.390 0.000 2.235 1179 M HA 0.070 4.550 4.480 0.000 0.000 0.351 1179 M C 1.087 177.222 176.300 -0.276 0.000 1.178 1179 M CA 0.264 55.647 55.300 0.139 0.000 1.143 1179 M CB 1.265 33.910 32.600 0.076 0.000 1.530 1179 M HN -0.260 nan 8.290 nan 0.000 0.461 1180 S N 2.792 118.103 115.700 -0.647 0.000 2.603 1180 S HA 0.298 4.768 4.470 0.000 0.000 0.268 1180 S C -2.131 171.902 174.600 -0.945 0.000 1.317 1180 S CA -1.192 56.137 58.200 -1.452 0.000 1.012 1180 S CB 0.574 63.205 63.200 -0.948 0.000 0.926 1180 S HN 0.447 nan 8.310 nan 0.000 0.539 1181 P HA -0.172 nan 4.420 nan 0.000 0.215 1181 P C 1.634 178.639 177.300 -0.492 0.000 1.153 1181 P CA 1.421 64.132 63.100 -0.648 0.000 0.853 1181 P CB -0.114 31.144 31.700 -0.736 0.000 0.788 1182 E N -0.235 119.647 120.200 -0.530 0.000 2.204 1182 E HA -0.112 4.238 4.350 0.000 0.000 0.195 1182 E C 1.571 177.958 176.600 -0.355 0.000 0.990 1182 E CA 1.436 57.617 56.400 -0.367 0.000 0.821 1182 E CB -1.152 28.365 29.700 -0.305 0.000 0.750 1182 E HN 0.178 nan 8.360 nan 0.000 0.477 1183 S N 1.156 116.581 115.700 -0.459 0.000 2.395 1183 S HA 0.082 4.552 4.470 0.000 0.000 0.225 1183 S C 2.119 176.503 174.600 -0.360 0.000 1.027 1183 S CA 0.547 58.399 58.200 -0.580 0.000 0.965 1183 S CB -0.191 62.544 63.200 -0.775 0.000 0.812 1183 S HN 0.196 nan 8.310 nan 0.000 0.482 1184 L N 0.952 122.001 121.223 -0.290 0.000 2.275 1184 L HA -0.019 4.321 4.340 0.000 0.000 0.215 1184 L C 2.431 179.217 176.870 -0.140 0.000 1.119 1184 L CA 1.072 55.804 54.840 -0.179 0.000 0.790 1184 L CB -0.242 41.708 42.059 -0.182 0.000 0.919 1184 L HN 0.237 nan 8.230 nan 0.000 0.443 1185 K N -0.743 119.559 120.400 -0.163 0.000 2.168 1185 K HA -0.038 4.282 4.320 0.000 0.000 0.201 1185 K C 1.080 177.626 176.600 -0.090 0.000 1.049 1185 K CA 0.836 57.057 56.287 -0.110 0.000 0.974 1185 K CB 0.450 32.888 32.500 -0.105 0.000 0.792 1185 K HN 0.185 nan 8.250 nan 0.000 0.463 1186 D N -1.577 118.753 120.400 -0.118 0.000 2.473 1186 D HA 0.101 4.741 4.640 0.000 0.000 0.230 1186 D C 0.513 176.773 176.300 -0.066 0.000 1.097 1186 D CA 0.793 54.744 54.000 -0.082 0.000 0.861 1186 D CB 1.301 42.051 40.800 -0.083 0.000 1.114 1186 D HN 0.367 nan 8.370 nan 0.000 0.500 1187 G N 1.559 110.287 108.800 -0.119 0.000 2.182 1187 G HA2 -0.241 3.719 3.960 0.000 0.000 0.248 1187 G HA3 -0.241 3.719 3.960 0.000 0.000 0.248 1187 G C 0.085 174.962 174.900 -0.038 0.000 1.042 1187 G CA 0.125 45.202 45.100 -0.037 0.000 0.775 1187 G HN 0.250 nan 8.290 nan 0.000 0.501 1188 V N 0.541 120.311 119.914 -0.239 0.000 2.370 1188 V HA 0.734 4.854 4.120 0.000 0.000 0.283 1188 V C -0.127 175.749 176.094 -0.364 0.000 1.023 1188 V CA -0.594 61.620 62.300 -0.143 0.000 0.857 1188 V CB 1.085 32.850 31.823 -0.096 0.000 0.985 1188 V HN 0.245 nan 8.190 nan 0.000 0.443 1189 F N 3.033 123.001 119.950 0.030 0.000 2.482 1189 F HA 0.754 5.281 4.527 0.000 0.000 0.331 1189 F C 0.622 176.447 175.800 0.042 0.000 1.115 1189 F CA -0.427 57.603 58.000 0.049 0.000 0.955 1189 F CB 2.273 41.316 39.000 0.072 0.000 1.136 1189 F HN 0.566 nan 8.300 nan 0.000 0.452 1190 T N -3.517 111.145 114.554 0.181 0.000 2.804 1190 T HA 0.269 4.619 4.350 0.000 0.000 0.290 1190 T C 0.876 175.604 174.700 0.047 0.000 1.099 1190 T CA -0.113 62.016 62.100 0.049 0.000 1.011 1190 T CB 1.246 70.088 68.868 -0.044 0.000 1.291 1190 T HN 0.598 nan 8.240 nan 0.000 0.523 1191 T N -1.556 112.923 114.554 -0.125 0.000 2.962 1191 T HA -0.118 4.232 4.350 0.000 0.000 0.270 1191 T C 1.255 175.970 174.700 0.024 0.000 1.088 1191 T CA 1.000 63.088 62.100 -0.021 0.000 1.127 1191 T CB -0.870 67.941 68.868 -0.095 0.000 0.883 1191 T HN 0.585 nan 8.240 nan 0.000 0.493 1192 Y N 2.667 123.026 120.300 0.099 0.000 2.314 1192 Y HA 0.032 4.582 4.550 0.000 0.000 0.293 1192 Y C 3.181 179.159 175.900 0.129 0.000 1.129 1192 Y CA 0.365 58.504 58.100 0.065 0.000 1.201 1192 Y CB -1.024 37.455 38.460 0.032 0.000 0.999 1192 Y HN 0.487 nan 8.280 nan 0.000 0.541 1193 S N -0.348 115.517 115.700 0.275 0.000 2.368 1193 S HA -0.167 4.303 4.470 0.000 0.000 0.224 1193 S C 1.641 176.481 174.600 0.400 0.000 1.029 1193 S CA 1.370 59.729 58.200 0.265 0.000 0.988 1193 S CB -0.512 62.784 63.200 0.159 0.000 0.838 1193 S HN 0.295 nan 8.310 nan 0.000 0.462 1194 D N 1.450 122.086 120.400 0.393 0.000 2.149 1194 D HA -0.051 4.589 4.640 0.000 0.000 0.198 1194 D C 2.014 178.659 176.300 0.576 0.000 0.990 1194 D CA 0.979 55.275 54.000 0.494 0.000 0.839 1194 D CB -0.525 40.594 40.800 0.532 0.000 0.948 1194 D HN 0.341 nan 8.370 nan 0.000 0.460 1195 V N 0.609 120.724 119.914 0.335 0.000 2.358 1195 V HA -0.185 3.935 4.120 0.000 0.000 0.246 1195 V C 2.121 178.449 176.094 0.389 0.000 1.047 1195 V CA 1.214 63.576 62.300 0.104 0.000 1.035 1195 V CB -0.453 31.233 31.823 -0.229 0.000 0.658 1195 V HN 0.406 nan 8.190 nan 0.000 0.452 1196 W N 1.390 122.849 121.300 0.266 0.000 2.311 1196 W HA -0.276 4.384 4.660 0.000 0.000 0.326 1196 W C 2.582 179.372 176.519 0.452 0.000 1.239 1196 W CA 2.536 60.100 57.345 0.365 0.000 1.258 1196 W CB -0.815 28.811 29.460 0.276 0.000 1.165 1196 W HN 0.346 nan 8.180 nan 0.000 0.466 1197 S N 1.090 117.238 115.700 0.748 0.000 2.372 1197 S HA -0.321 4.149 4.470 0.000 0.000 0.227 1197 S C 1.572 176.466 174.600 0.490 0.000 1.044 1197 S CA 2.024 60.599 58.200 0.625 0.000 1.050 1197 S CB -1.431 62.099 63.200 0.550 0.000 0.901 1197 S HN 0.395 nan 8.310 nan 0.000 0.447 1198 F N 2.620 122.787 119.950 0.360 0.000 2.147 1198 F HA -0.165 4.362 4.527 0.000 0.000 0.301 1198 F C 2.210 178.108 175.800 0.163 0.000 1.084 1198 F CA 1.395 59.573 58.000 0.297 0.000 1.268 1198 F CB -0.928 38.335 39.000 0.438 0.000 1.009 1198 F HN 0.212 nan 8.300 nan 0.000 0.486 1199 G N -0.226 108.608 108.800 0.057 0.000 2.402 1199 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 1199 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 1199 G C 1.702 176.605 174.900 0.005 0.000 1.162 1199 G CA 1.116 46.028 45.100 -0.314 0.000 0.777 1199 G HN 0.351 nan 8.290 nan 0.000 0.539 1200 V N 0.989 121.086 119.914 0.305 0.000 2.343 1200 V HA -0.186 3.934 4.120 0.000 0.000 0.247 1200 V C 3.017 179.280 176.094 0.282 0.000 1.051 1200 V CA 1.688 64.150 62.300 0.270 0.000 1.036 1200 V CB -0.627 31.199 31.823 0.006 0.000 0.654 1200 V HN 0.335 nan 8.190 nan 0.000 0.451 1201 V N -0.676 119.379 119.914 0.235 0.000 2.759 1201 V HA -0.160 3.960 4.120 0.000 0.000 0.256 1201 V C 2.057 178.174 176.094 0.038 0.000 1.080 1201 V CA 1.672 64.090 62.300 0.196 0.000 1.101 1201 V CB -0.331 31.593 31.823 0.167 0.000 0.698 1201 V HN 0.478 nan 8.190 nan 0.000 0.477 1202 L N -1.420 119.729 121.223 -0.124 0.000 2.005 1202 L HA -0.107 4.233 4.340 0.000 0.000 0.207 1202 L C 2.379 179.266 176.870 0.029 0.000 1.072 1202 L CA 2.476 57.220 54.840 -0.159 0.000 0.744 1202 L CB -0.741 41.116 42.059 -0.337 0.000 0.895 1202 L HN 0.574 nan 8.230 nan 0.000 0.433 1203 W N 1.508 122.778 121.300 -0.049 0.000 2.302 1203 W HA -0.290 4.370 4.660 0.000 0.000 0.320 1203 W C 2.513 179.038 176.519 0.011 0.000 1.241 1203 W CA 2.171 59.539 57.345 0.039 0.000 1.264 1203 W CB -0.122 29.430 29.460 0.153 0.000 1.154 1203 W HN 0.133 nan 8.180 nan 0.000 0.483 1204 E N -0.287 120.129 120.200 0.359 0.000 2.097 1204 E HA -0.288 4.062 4.350 0.000 0.000 0.196 1204 E C 2.071 178.680 176.600 0.015 0.000 1.000 1204 E CA 1.972 58.498 56.400 0.212 0.000 0.804 1204 E CB -0.577 29.311 29.700 0.313 0.000 0.740 1204 E HN 0.422 nan 8.360 nan 0.000 0.454 1205 I N 0.707 121.283 120.570 0.010 0.000 2.315 1205 I HA -0.219 3.951 4.170 0.000 0.000 0.248 1205 I C 2.523 178.581 176.117 -0.099 0.000 1.117 1205 I CA 0.827 62.112 61.300 -0.024 0.000 1.404 1205 I CB -0.339 37.653 38.000 -0.014 0.000 1.071 1205 I HN 0.066 nan 8.210 nan 0.000 0.419 1206 A N 0.547 123.270 122.820 -0.161 0.000 1.968 1206 A HA -0.160 4.160 4.320 0.000 0.000 0.217 1206 A C 2.223 179.624 177.584 -0.305 0.000 1.169 1206 A CA 1.993 53.900 52.037 -0.218 0.000 0.638 1206 A CB -0.792 18.074 19.000 -0.224 0.000 0.812 1206 A HN 0.502 nan 8.150 nan 0.000 0.446 1207 T N -3.231 111.063 114.554 -0.434 0.000 3.145 1207 T HA 0.421 4.771 4.350 0.000 0.000 0.255 1207 T C 0.443 174.987 174.700 -0.260 0.000 1.039 1207 T CA 0.159 61.988 62.100 -0.451 0.000 0.928 1207 T CB -0.679 67.699 68.868 -0.817 0.000 1.029 1207 T HN 0.576 nan 8.240 nan 0.000 0.554 1208 L N 0.381 121.496 121.223 -0.180 0.000 3.597 1208 L HA -0.250 4.090 4.340 0.000 0.000 0.440 1208 L C 0.834 177.662 176.870 -0.071 0.000 1.277 1208 L CA 0.154 54.925 54.840 -0.115 0.000 0.852 1208 L CB -2.534 39.452 42.059 -0.121 0.000 1.708 1208 L HN 0.801 nan 8.230 nan 0.000 0.885 1209 A N -0.808 121.992 122.820 -0.035 0.000 2.876 1209 A HA -0.192 4.128 4.320 0.000 0.000 0.287 1209 A C 0.625 178.248 177.584 0.066 0.000 1.455 1209 A CA 1.469 53.541 52.037 0.058 0.000 0.744 1209 A CB -1.254 17.789 19.000 0.071 0.000 1.041 1209 A HN 0.679 nan 8.150 nan 0.000 0.500 1210 E N -0.130 120.081 120.200 0.018 0.000 2.392 1210 E HA 0.257 4.607 4.350 0.000 0.000 0.259 1210 E C 0.592 177.349 176.600 0.262 0.000 1.108 1210 E CA -0.359 56.089 56.400 0.080 0.000 0.916 1210 E CB 0.422 30.104 29.700 -0.029 0.000 0.989 1210 E HN 0.617 nan 8.360 nan 0.000 0.432 1211 Q N 2.807 122.736 119.800 0.216 0.000 2.288 1211 Q HA 0.178 4.518 4.340 0.000 0.000 0.258 1211 Q C -2.329 173.720 176.000 0.081 0.000 0.957 1211 Q CA -1.915 53.998 55.803 0.183 0.000 0.919 1211 Q CB 0.736 29.555 28.738 0.136 0.000 1.185 1211 Q HN 0.116 nan 8.270 nan 0.000 0.408 1212 P HA -0.085 nan 4.420 nan 0.000 0.265 1212 P C -1.286 175.713 177.300 -0.503 0.000 1.193 1212 P CA 0.478 63.084 63.100 -0.823 0.000 0.765 1212 P CB 0.037 31.072 31.700 -1.109 0.000 0.823 1213 Y N -0.424 119.611 120.300 -0.440 0.000 3.491 1213 Y HA -0.282 4.268 4.550 0.000 0.000 0.215 1213 Y C 0.923 176.711 175.900 -0.187 0.000 1.219 1213 Y CA 0.447 58.357 58.100 -0.316 0.000 1.485 1213 Y CB -2.826 35.442 38.460 -0.320 0.000 1.450 1213 Y HN 0.445 nan 8.280 nan 0.000 0.603 1214 Q N 0.462 120.247 119.800 -0.027 0.000 2.361 1214 Q HA 0.411 4.751 4.340 0.000 0.000 0.276 1214 Q C 1.357 177.349 176.000 -0.014 0.000 1.022 1214 Q CA 0.470 56.278 55.803 0.009 0.000 0.898 1214 Q CB 1.422 30.183 28.738 0.038 0.000 1.246 1214 Q HN 0.785 nan 8.270 nan 0.000 0.410 1215 G N 2.026 110.817 108.800 -0.015 0.000 2.232 1215 G HA2 -0.216 3.744 3.960 0.000 0.000 0.226 1215 G HA3 -0.216 3.744 3.960 0.000 0.000 0.226 1215 G C -0.092 174.775 174.900 -0.055 0.000 0.996 1215 G CA -0.009 45.071 45.100 -0.034 0.000 0.626 1215 G HN 0.520 nan 8.290 nan 0.000 0.509 1216 L N 1.977 123.163 121.223 -0.063 0.000 2.331 1216 L HA 0.664 5.004 4.340 0.000 0.000 0.275 1216 L C 1.126 177.971 176.870 -0.040 0.000 1.022 1216 L CA -0.382 54.409 54.840 -0.080 0.000 0.812 1216 L CB 1.832 43.800 42.059 -0.152 0.000 1.257 1216 L HN 0.387 nan 8.230 nan 0.000 0.435 1217 S N 0.452 116.131 115.700 -0.035 0.000 2.645 1217 S HA 0.212 4.682 4.470 0.000 0.000 0.266 1217 S C 0.813 175.402 174.600 -0.018 0.000 1.258 1217 S CA -0.763 57.429 58.200 -0.014 0.000 0.990 1217 S CB 0.992 64.186 63.200 -0.010 0.000 0.967 1217 S HN 0.592 nan 8.310 nan 0.000 0.556 1218 N N 1.496 120.197 118.700 0.002 0.000 2.036 1218 N HA -0.156 4.584 4.740 0.000 0.000 0.195 1218 N C 1.596 177.096 175.510 -0.017 0.000 1.037 1218 N CA 1.603 54.654 53.050 0.002 0.000 0.855 1218 N CB -0.729 37.774 38.487 0.026 0.000 1.033 1218 N HN 0.706 nan 8.380 nan 0.000 0.423 1219 E N 1.012 121.206 120.200 -0.010 0.000 2.114 1219 E HA -0.224 4.126 4.350 0.000 0.000 0.199 1219 E C 1.905 178.492 176.600 -0.022 0.000 1.008 1219 E CA 1.246 57.638 56.400 -0.013 0.000 0.810 1219 E CB -0.095 29.601 29.700 -0.007 0.000 0.739 1219 E HN 0.540 nan 8.360 nan 0.000 0.456 1220 Q N -0.202 119.580 119.800 -0.030 0.000 2.049 1220 Q HA -0.086 4.254 4.340 0.000 0.000 0.198 1220 Q C 2.403 178.378 176.000 -0.042 0.000 0.971 1220 Q CA 0.963 56.747 55.803 -0.032 0.000 0.833 1220 Q CB 0.089 28.797 28.738 -0.051 0.000 0.896 1220 Q HN 0.091 nan 8.270 nan 0.000 0.434 1221 V N 1.406 121.259 119.914 -0.102 0.000 2.282 1221 V HA -0.282 3.838 4.120 0.000 0.000 0.249 1221 V C 2.203 178.208 176.094 -0.149 0.000 1.057 1221 V CA 1.516 63.691 62.300 -0.208 0.000 1.032 1221 V CB -0.675 30.976 31.823 -0.288 0.000 0.645 1221 V HN 0.387 nan 8.190 nan 0.000 0.447 1222 L N 0.773 121.937 121.223 -0.100 0.000 1.965 1222 L HA -0.254 4.086 4.340 0.000 0.000 0.226 1222 L C 2.621 179.455 176.870 -0.060 0.000 1.083 1222 L CA 2.219 57.012 54.840 -0.078 0.000 0.790 1222 L CB -1.300 40.731 42.059 -0.047 0.000 0.898 1222 L HN 0.289 nan 8.230 nan 0.000 0.439 1223 R N -1.509 118.976 120.500 -0.026 0.000 2.096 1223 R HA -0.252 4.088 4.340 0.000 0.000 0.240 1223 R C 2.237 178.543 176.300 0.009 0.000 1.139 1223 R CA 1.902 57.998 56.100 -0.008 0.000 0.952 1223 R CB -0.944 29.363 30.300 0.011 0.000 0.854 1223 R HN 0.435 nan 8.270 nan 0.000 0.436 1224 F N 1.355 121.229 119.950 -0.126 0.000 2.046 1224 F HA -0.254 4.273 4.527 0.000 0.000 0.297 1224 F C 2.221 177.947 175.800 -0.123 0.000 1.123 1224 F CA 1.592 59.515 58.000 -0.127 0.000 1.199 1224 F CB -0.485 38.413 39.000 -0.170 0.000 0.972 1224 F HN -0.267 nan 8.300 nan 0.000 0.474 1225 V N 0.537 120.351 119.914 -0.167 0.000 2.295 1225 V HA -0.349 3.771 4.120 0.000 0.000 0.246 1225 V C 2.513 178.520 176.094 -0.144 0.000 1.049 1225 V CA 2.262 64.429 62.300 -0.223 0.000 1.024 1225 V CB -0.588 31.118 31.823 -0.196 0.000 0.648 1225 V HN 0.422 nan 8.190 nan 0.000 0.447 1226 M N -0.693 118.838 119.600 -0.115 0.000 2.202 1226 M HA -0.210 4.270 4.480 0.000 0.000 0.262 1226 M C 1.843 178.155 176.300 0.020 0.000 1.063 1226 M CA 1.723 57.001 55.300 -0.037 0.000 1.097 1226 M CB -0.258 32.307 32.600 -0.058 0.000 1.382 1226 M HN 0.385 nan 8.290 nan 0.000 0.413 1227 E N -1.188 118.954 120.200 -0.096 0.000 2.479 1227 E HA 0.117 4.467 4.350 0.000 0.000 0.193 1227 E C 0.972 177.428 176.600 -0.241 0.000 1.049 1227 E CA 0.400 56.708 56.400 -0.154 0.000 0.870 1227 E CB 0.423 30.042 29.700 -0.135 0.000 0.944 1227 E HN 0.664 nan 8.360 nan 0.000 0.492 1228 G N 1.015 109.690 108.800 -0.208 0.000 2.183 1228 G HA2 -0.178 3.782 3.960 0.000 0.000 0.168 1228 G HA3 -0.178 3.782 3.960 0.000 0.000 0.168 1228 G C 0.472 175.212 174.900 -0.266 0.000 1.008 1228 G CA -0.483 44.499 45.100 -0.197 0.000 0.677 1228 G HN 0.398 nan 8.290 nan 0.000 0.498 1229 G N -0.060 108.359 108.800 -0.636 0.000 2.441 1229 G HA2 0.551 4.511 3.960 0.000 0.000 0.243 1229 G HA3 0.551 4.511 3.960 0.000 0.000 0.243 1229 G C 0.103 174.737 174.900 -0.443 0.000 1.281 1229 G CA 0.064 44.388 45.100 -1.293 0.000 0.854 1229 G HN 0.583 nan 8.290 nan 0.000 0.560 1230 L N 0.618 121.817 121.223 -0.040 0.000 2.279 1230 L HA 0.483 4.823 4.340 0.000 0.000 0.262 1230 L C -0.005 176.984 176.870 0.199 0.000 1.019 1230 L CA -1.047 53.837 54.840 0.074 0.000 0.823 1230 L CB 2.020 44.148 42.059 0.115 0.000 1.358 1230 L HN 0.301 nan 8.230 nan 0.000 0.432 1231 L N 0.820 121.897 121.223 -0.243 0.000 2.371 1231 L HA 0.203 4.543 4.340 0.000 0.000 0.272 1231 L C -0.303 176.662 176.870 0.158 0.000 1.124 1231 L CA -0.461 54.180 54.840 -0.331 0.000 0.816 1231 L CB 0.524 41.902 42.059 -1.135 0.000 1.129 1231 L HN 0.438 nan 8.230 nan 0.000 0.448 1232 D N 2.097 122.606 120.400 0.182 0.000 2.362 1232 D HA 0.038 4.678 4.640 0.000 0.000 0.242 1232 D C 0.095 176.515 176.300 0.199 0.000 1.132 1232 D CA -0.221 53.898 54.000 0.199 0.000 0.907 1232 D CB 0.875 41.737 40.800 0.103 0.000 1.195 1232 D HN 0.300 nan 8.370 nan 0.000 0.429 1233 K N 2.263 122.481 120.400 -0.303 0.000 2.472 1233 K HA 0.085 4.405 4.320 0.000 0.000 0.280 1233 K C -2.353 174.091 176.600 -0.261 0.000 1.028 1233 K CA -0.970 54.853 56.287 -0.774 0.000 1.045 1233 K CB 0.209 31.906 32.500 -1.339 0.000 0.902 1233 K HN 0.053 nan 8.250 nan 0.000 0.478 1234 P HA -0.002 nan 4.420 nan 0.000 0.268 1234 P C -1.052 176.133 177.300 -0.192 0.000 1.205 1234 P CA -0.096 62.870 63.100 -0.223 0.000 0.771 1234 P CB 0.455 31.935 31.700 -0.366 0.000 0.858 1235 D N 2.615 122.922 120.400 -0.156 0.000 2.450 1235 D HA 0.003 4.643 4.640 0.000 0.000 0.247 1235 D C 0.564 176.786 176.300 -0.129 0.000 1.162 1235 D CA 0.813 54.737 54.000 -0.126 0.000 0.879 1235 D CB -0.423 40.317 40.800 -0.100 0.000 1.163 1235 D HN 0.431 nan 8.370 nan 0.000 0.472 1236 N N -0.056 118.578 118.700 -0.110 0.000 2.999 1236 N HA -0.180 4.560 4.740 0.000 0.000 0.242 1236 N C -0.480 174.969 175.510 -0.101 0.000 1.016 1236 N CA 0.122 53.113 53.050 -0.097 0.000 0.894 1236 N CB -1.252 37.176 38.487 -0.098 0.000 1.113 1236 N HN 0.376 nan 8.380 nan 0.000 0.555 1237 C N 1.995 121.228 119.300 -0.111 0.000 2.285 1237 C HA 0.453 4.913 4.460 0.000 0.000 0.335 1237 C C -1.979 172.981 174.990 -0.050 0.000 1.267 1237 C CA -1.804 57.160 59.018 -0.089 0.000 1.762 1237 C CB -0.170 27.511 27.740 -0.098 0.000 2.365 1237 C HN 0.122 nan 8.230 nan 0.000 0.527 1238 P HA 0.075 nan 4.420 nan 0.000 0.264 1238 P C 0.443 177.758 177.300 0.024 0.000 1.183 1238 P CA 0.487 63.580 63.100 -0.012 0.000 0.763 1238 P CB 0.604 32.294 31.700 -0.017 0.000 0.807 1239 D N 2.423 122.843 120.400 0.033 0.000 2.133 1239 D HA -0.199 4.441 4.640 0.000 0.000 0.195 1239 D C 1.666 178.017 176.300 0.085 0.000 0.997 1239 D CA 1.271 55.320 54.000 0.080 0.000 0.840 1239 D CB -0.416 40.418 40.800 0.058 0.000 0.947 1239 D HN 0.360 nan 8.370 nan 0.000 0.452 1240 M N 0.356 119.978 119.600 0.036 0.000 2.082 1240 M HA -0.191 4.289 4.480 0.000 0.000 0.258 1240 M C 2.088 178.389 176.300 0.001 0.000 1.069 1240 M CA 1.272 56.579 55.300 0.012 0.000 1.102 1240 M CB -0.405 32.193 32.600 -0.003 0.000 1.336 1240 M HN 0.075 nan 8.290 nan 0.000 0.404 1241 L N -0.081 121.149 121.223 0.012 0.000 2.156 1241 L HA -0.112 4.228 4.340 0.000 0.000 0.208 1241 L C 2.125 178.992 176.870 -0.006 0.000 1.095 1241 L CA 1.348 56.181 54.840 -0.012 0.000 0.770 1241 L CB -0.786 41.264 42.059 -0.015 0.000 0.914 1241 L HN 0.351 nan 8.230 nan 0.000 0.439 1242 F N -0.265 119.638 119.950 -0.079 0.000 2.456 1242 F HA -0.055 4.472 4.527 0.000 0.000 0.298 1242 F C 2.189 177.931 175.800 -0.097 0.000 1.104 1242 F CA 0.896 58.853 58.000 -0.072 0.000 1.435 1242 F CB 0.068 39.065 39.000 -0.004 0.000 1.078 1242 F HN 0.089 nan 8.300 nan 0.000 0.546 1243 E N 0.728 120.859 120.200 -0.115 0.000 2.047 1243 E HA -0.156 4.194 4.350 0.000 0.000 0.191 1243 E C 2.374 178.812 176.600 -0.271 0.000 0.987 1243 E CA 1.125 57.412 56.400 -0.188 0.000 0.799 1243 E CB -0.626 29.041 29.700 -0.054 0.000 0.752 1243 E HN 0.460 nan 8.360 nan 0.000 0.449 1244 L N -0.198 120.895 121.223 -0.216 0.000 2.013 1244 L HA -0.279 4.061 4.340 0.000 0.000 0.212 1244 L C 2.295 178.925 176.870 -0.400 0.000 1.073 1244 L CA 1.539 56.249 54.840 -0.217 0.000 0.753 1244 L CB -0.243 41.740 42.059 -0.127 0.000 0.890 1244 L HN 0.310 nan 8.230 nan 0.000 0.432 1245 M N -1.100 118.134 119.600 -0.610 0.000 2.073 1245 M HA -0.294 4.186 4.480 0.000 0.000 0.258 1245 M C 2.290 177.836 176.300 -1.256 0.000 1.070 1245 M CA 1.894 56.486 55.300 -1.181 0.000 1.103 1245 M CB -0.561 31.205 32.600 -1.389 0.000 1.321 1245 M HN 0.133 nan 8.290 nan 0.000 0.405 1246 R N -0.051 119.927 120.500 -0.871 0.000 2.139 1246 R HA -0.133 4.207 4.340 0.000 0.000 0.243 1246 R C 2.131 178.279 176.300 -0.254 0.000 1.145 1246 R CA 1.570 57.395 56.100 -0.458 0.000 0.976 1246 R CB -0.390 29.664 30.300 -0.411 0.000 0.866 1246 R HN 0.471 nan 8.270 nan 0.000 0.449 1247 M N -0.622 118.807 119.600 -0.284 0.000 2.077 1247 M HA -0.166 4.314 4.480 0.000 0.000 0.261 1247 M C 2.376 178.592 176.300 -0.141 0.000 1.070 1247 M CA 1.301 56.506 55.300 -0.159 0.000 1.125 1247 M CB -0.288 32.228 32.600 -0.140 0.000 1.339 1247 M HN 0.199 nan 8.290 nan 0.000 0.409 1248 C N -0.555 118.579 119.300 -0.277 0.000 2.430 1248 C HA -0.127 4.333 4.460 0.000 0.000 0.288 1248 C C 1.519 176.471 174.990 -0.064 0.000 1.448 1248 C CA 0.246 59.142 59.018 -0.204 0.000 1.784 1248 C CB -1.327 26.236 27.740 -0.295 0.000 1.776 1248 C HN 0.656 nan 8.230 nan 0.000 0.547 1249 W N -0.197 121.014 121.300 -0.149 0.000 3.123 1249 W HA 0.350 5.010 4.660 0.000 0.000 0.383 1249 W C 0.754 177.376 176.519 0.171 0.000 1.102 1249 W CA -0.820 56.419 57.345 -0.176 0.000 1.865 1249 W CB -1.084 28.078 29.460 -0.496 0.000 1.111 1249 W HN 0.224 nan 8.180 nan 0.000 0.621 1250 Q N 0.342 120.315 119.800 0.289 0.000 2.263 1250 Q HA -0.133 4.207 4.340 0.000 0.000 0.289 1250 Q C 1.109 177.282 176.000 0.290 0.000 1.061 1250 Q CA 0.465 56.405 55.803 0.228 0.000 0.927 1250 Q CB 0.311 29.114 28.738 0.108 0.000 1.154 1250 Q HN 0.306 nan 8.270 nan 0.000 0.378 1251 Y N 3.537 123.930 120.300 0.156 0.000 2.128 1251 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 1251 Y C 0.673 176.589 175.900 0.026 0.000 1.154 1251 Y CA 1.786 59.945 58.100 0.097 0.000 1.149 1251 Y CB 0.169 38.648 38.460 0.033 0.000 0.976 1251 Y HN 0.719 nan 8.280 nan 0.000 0.505 1252 N N 1.288 120.078 118.700 0.150 0.000 2.405 1252 N HA 0.067 4.807 4.740 0.000 0.000 0.260 1252 N C -2.134 173.329 175.510 -0.079 0.000 1.152 1252 N CA -2.003 51.059 53.050 0.019 0.000 0.948 1252 N CB 1.082 39.594 38.487 0.042 0.000 1.111 1252 N HN -0.004 nan 8.380 nan 0.000 0.485 1253 P HA -0.224 nan 4.420 nan 0.000 0.218 1253 P C 0.663 177.676 177.300 -0.478 0.000 1.154 1253 P CA 1.740 64.712 63.100 -0.213 0.000 0.872 1253 P CB 0.228 31.829 31.700 -0.164 0.000 0.790 1254 K N -1.359 118.744 120.400 -0.495 0.000 2.280 1254 K HA -0.025 4.295 4.320 0.000 0.000 0.202 1254 K C 1.848 178.275 176.600 -0.288 0.000 1.047 1254 K CA 0.985 56.948 56.287 -0.540 0.000 0.942 1254 K CB -0.288 32.028 32.500 -0.307 0.000 0.739 1254 K HN 0.200 nan 8.250 nan 0.000 0.457 1255 M N 0.459 119.955 119.600 -0.173 0.000 2.419 1255 M HA -0.009 4.471 4.480 0.000 0.000 0.264 1255 M C 0.601 176.862 176.300 -0.064 0.000 1.082 1255 M CA 0.815 56.066 55.300 -0.083 0.000 1.119 1255 M CB -0.345 32.238 32.600 -0.029 0.000 1.398 1255 M HN -0.017 nan 8.290 nan 0.000 0.453 1256 R N 1.039 121.495 120.500 -0.072 0.000 2.594 1256 R HA 0.188 4.528 4.340 0.000 0.000 0.272 1256 R C -2.179 174.097 176.300 -0.040 0.000 1.074 1256 R CA -1.425 54.659 56.100 -0.027 0.000 1.105 1256 R CB -0.436 29.884 30.300 0.034 0.000 1.008 1256 R HN 0.008 nan 8.270 nan 0.000 0.472 1257 P HA -0.034 nan 4.420 nan 0.000 0.271 1257 P C -0.553 176.677 177.300 -0.115 0.000 1.233 1257 P CA -0.213 62.841 63.100 -0.076 0.000 0.789 1257 P CB 0.657 32.298 31.700 -0.098 0.000 0.951 1258 S N 0.188 115.841 115.700 -0.079 0.000 2.672 1258 S HA 0.294 4.764 4.470 0.000 0.000 0.276 1258 S C 0.810 175.301 174.600 -0.181 0.000 1.207 1258 S CA -0.344 57.795 58.200 -0.102 0.000 1.002 1258 S CB 0.031 63.255 63.200 0.040 0.000 0.998 1258 S HN 0.183 nan 8.310 nan 0.000 0.542 1259 F N 0.532 120.471 119.950 -0.018 0.000 2.216 1259 F HA 0.029 4.556 4.527 0.000 0.000 0.300 1259 F C 1.998 177.803 175.800 0.008 0.000 1.085 1259 F CA 0.911 58.855 58.000 -0.094 0.000 1.326 1259 F CB -0.729 38.219 39.000 -0.086 0.000 1.027 1259 F HN 0.470 nan 8.300 nan 0.000 0.497 1260 L N -0.358 121.019 121.223 0.257 0.000 2.017 1260 L HA -0.209 4.131 4.340 0.000 0.000 0.208 1260 L C 2.358 179.354 176.870 0.210 0.000 1.073 1260 L CA 1.510 56.531 54.840 0.300 0.000 0.745 1260 L CB -0.664 41.552 42.059 0.262 0.000 0.894 1260 L HN 0.129 nan 8.230 nan 0.000 0.432 1261 E N 0.145 120.411 120.200 0.110 0.000 2.118 1261 E HA -0.237 4.113 4.350 0.000 0.000 0.195 1261 E C 2.242 178.850 176.600 0.013 0.000 0.992 1261 E CA 1.214 57.650 56.400 0.059 0.000 0.804 1261 E CB -0.096 29.617 29.700 0.023 0.000 0.741 1261 E HN 0.484 nan 8.360 nan 0.000 0.458 1262 I N 0.781 121.341 120.570 -0.017 0.000 2.202 1262 I HA -0.275 3.895 4.170 0.000 0.000 0.242 1262 I C 2.296 178.380 176.117 -0.055 0.000 1.091 1262 I CA 1.074 62.350 61.300 -0.041 0.000 1.368 1262 I CB -0.140 37.804 38.000 -0.093 0.000 1.058 1262 I HN 0.096 nan 8.210 nan 0.000 0.410 1263 I N -0.416 120.108 120.570 -0.076 0.000 2.226 1263 I HA -0.302 3.868 4.170 0.000 0.000 0.245 1263 I C 2.718 178.631 176.117 -0.340 0.000 1.100 1263 I CA 1.057 62.216 61.300 -0.235 0.000 1.374 1263 I CB -0.427 37.378 38.000 -0.324 0.000 1.057 1263 I HN 0.150 nan 8.210 nan 0.000 0.413 1264 S N 0.637 116.210 115.700 -0.212 0.000 2.380 1264 S HA -0.236 4.234 4.470 0.000 0.000 0.229 1264 S C 2.191 176.750 174.600 -0.070 0.000 1.043 1264 S CA 2.174 60.322 58.200 -0.087 0.000 1.038 1264 S CB -0.293 62.963 63.200 0.093 0.000 0.872 1264 S HN 0.653 nan 8.310 nan 0.000 0.456 1265 S N 0.929 116.594 115.700 -0.058 0.000 2.489 1265 S HA 0.064 4.534 4.470 0.000 0.000 0.228 1265 S C 1.483 176.050 174.600 -0.054 0.000 0.995 1265 S CA 0.794 58.972 58.200 -0.037 0.000 0.934 1265 S CB -0.568 62.616 63.200 -0.026 0.000 0.771 1265 S HN 0.801 nan 8.310 nan 0.000 0.522 1266 I N -1.640 118.872 120.570 -0.097 0.000 4.338 1266 I HA 0.375 4.545 4.170 0.000 0.000 0.329 1266 I C 1.488 177.512 176.117 -0.155 0.000 1.378 1266 I CA -0.487 60.749 61.300 -0.106 0.000 1.170 1266 I CB 0.095 38.034 38.000 -0.102 0.000 1.206 1266 I HN 0.100 nan 8.210 nan 0.000 0.432 1267 K N 1.112 121.402 120.400 -0.183 0.000 2.360 1267 K HA -0.101 4.219 4.320 0.000 0.000 0.201 1267 K C 1.378 177.960 176.600 -0.030 0.000 1.046 1267 K CA 1.559 57.737 56.287 -0.181 0.000 0.940 1267 K CB -0.184 32.205 32.500 -0.185 0.000 0.748 1267 K HN 0.228 nan 8.250 nan 0.000 0.465 1268 E N 0.988 121.179 120.200 -0.015 0.000 2.481 1268 E HA -0.026 4.324 4.350 0.000 0.000 0.195 1268 E C 0.407 177.004 176.600 -0.005 0.000 1.047 1268 E CA 0.580 56.993 56.400 0.021 0.000 0.867 1268 E CB 0.384 30.098 29.700 0.022 0.000 0.858 1268 E HN 0.417 nan 8.360 nan 0.000 0.513 1269 E N -0.869 119.303 120.200 -0.047 0.000 2.693 1269 E HA 0.161 4.511 4.350 0.000 0.000 0.214 1269 E C -0.627 175.925 176.600 -0.081 0.000 0.990 1269 E CA -0.130 56.239 56.400 -0.051 0.000 1.047 1269 E CB 0.386 30.055 29.700 -0.052 0.000 1.039 1269 E HN 0.044 nan 8.360 nan 0.000 0.475 1270 M N 1.350 120.883 119.600 -0.112 0.000 2.367 1270 M HA 0.278 4.758 4.480 0.000 0.000 0.339 1270 M C 0.248 176.534 176.300 -0.024 0.000 1.177 1270 M CA -0.620 54.583 55.300 -0.161 0.000 1.068 1270 M CB 0.997 33.330 32.600 -0.444 0.000 1.602 1270 M HN -0.088 nan 8.290 nan 0.000 0.457 1271 E N 2.047 122.254 120.200 0.012 0.000 2.436 1271 E HA 0.026 4.376 4.350 0.000 0.000 0.262 1271 E C -1.653 175.020 176.600 0.122 0.000 1.063 1271 E CA -1.410 55.030 56.400 0.066 0.000 0.944 1271 E CB -0.320 29.428 29.700 0.079 0.000 0.950 1271 E HN 0.376 nan 8.360 nan 0.000 0.444 1272 P HA -0.195 nan 4.420 nan 0.000 0.217 1272 P C 1.346 178.720 177.300 0.124 0.000 1.158 1272 P CA 2.062 65.219 63.100 0.095 0.000 0.887 1272 P CB 0.015 31.750 31.700 0.059 0.000 0.792 1273 G N -1.541 107.330 108.800 0.120 0.000 2.485 1273 G HA2 -0.312 3.648 3.960 0.000 0.000 0.221 1273 G HA3 -0.312 3.648 3.960 0.000 0.000 0.221 1273 G C 1.357 176.339 174.900 0.137 0.000 1.115 1273 G CA 0.346 45.505 45.100 0.097 0.000 0.751 1273 G HN 0.168 nan 8.290 nan 0.000 0.567 1274 F N 1.340 121.343 119.950 0.090 0.000 2.043 1274 F HA -0.187 4.340 4.527 0.000 0.000 0.297 1274 F C 2.740 178.672 175.800 0.220 0.000 1.118 1274 F CA 2.241 60.342 58.000 0.168 0.000 1.202 1274 F CB -0.303 38.810 39.000 0.188 0.000 0.965 1274 F HN 0.123 nan 8.300 nan 0.000 0.482 1275 R N 0.406 121.072 120.500 0.278 0.000 2.133 1275 R HA -0.252 4.088 4.340 0.000 0.000 0.247 1275 R C 2.311 178.611 176.300 0.001 0.000 1.151 1275 R CA 2.022 58.191 56.100 0.115 0.000 0.971 1275 R CB -0.614 29.559 30.300 -0.211 0.000 0.866 1275 R HN 0.628 nan 8.270 nan 0.000 0.447 1276 E N 0.238 120.418 120.200 -0.033 0.000 2.371 1276 E HA -0.081 4.269 4.350 0.000 0.000 0.194 1276 E C 1.406 177.937 176.600 -0.114 0.000 1.012 1276 E CA 1.188 57.549 56.400 -0.064 0.000 0.860 1276 E CB 0.427 30.094 29.700 -0.054 0.000 0.811 1276 E HN 0.377 nan 8.360 nan 0.000 0.502 1277 V N -1.332 118.467 119.914 -0.192 0.000 3.572 1277 V HA 0.192 4.312 4.120 0.000 0.000 0.260 1277 V C 1.135 177.050 176.094 -0.298 0.000 1.324 1277 V CA 0.190 62.296 62.300 -0.324 0.000 1.068 1277 V CB 0.081 31.483 31.823 -0.702 0.000 0.837 1277 V HN 0.228 nan 8.190 nan 0.000 0.450 1278 S N 0.213 115.708 115.700 -0.342 0.000 2.589 1278 S HA 0.287 4.757 4.470 0.000 0.000 0.265 1278 S C 0.719 175.303 174.600 -0.027 0.000 1.342 1278 S CA 0.401 58.415 58.200 -0.311 0.000 1.005 1278 S CB 0.730 63.346 63.200 -0.973 0.000 0.909 1278 S HN 0.560 nan 8.310 nan 0.000 0.555 1279 F N 1.364 121.311 119.950 -0.005 0.000 2.335 1279 F HA 0.075 4.602 4.527 0.000 0.000 0.296 1279 F C 1.921 177.781 175.800 0.100 0.000 1.091 1279 F CA 0.762 58.817 58.000 0.092 0.000 1.399 1279 F CB -0.699 38.428 39.000 0.212 0.000 1.067 1279 F HN 0.802 nan 8.300 nan 0.000 0.520 1280 Y N 0.254 120.480 120.300 -0.124 0.000 2.081 1280 Y HA -0.319 4.231 4.550 0.000 0.000 0.280 1280 Y C 1.274 176.973 175.900 -0.334 0.000 1.163 1280 Y CA 2.258 60.193 58.100 -0.276 0.000 1.135 1280 Y CB -0.842 37.515 38.460 -0.173 0.000 0.970 1280 Y HN 0.170 nan 8.280 nan 0.000 0.498 1281 Y N 0.589 120.891 120.300 0.003 0.000 2.596 1281 Y HA 0.165 4.715 4.550 0.000 0.000 0.316 1281 Y C 0.739 176.562 175.900 -0.129 0.000 1.156 1281 Y CA -0.487 57.584 58.100 -0.048 0.000 1.300 1281 Y CB -0.086 38.404 38.460 0.050 0.000 1.130 1281 Y HN 0.035 nan 8.280 nan 0.000 0.518 1282 S N -1.639 114.002 115.700 -0.097 0.000 2.718 1282 S HA 0.227 4.697 4.470 0.000 0.000 0.300 1282 S C 0.960 175.484 174.600 -0.127 0.000 1.117 1282 S CA -0.875 57.273 58.200 -0.086 0.000 1.002 1282 S CB 1.578 64.749 63.200 -0.047 0.000 1.092 1282 S HN 0.187 nan 8.310 nan 0.000 0.542 1283 E N 1.403 121.570 120.200 -0.055 0.000 2.077 1283 E HA -0.160 4.190 4.350 0.000 0.000 0.193 1283 E C 1.735 178.305 176.600 -0.051 0.000 0.989 1283 E CA 1.526 57.901 56.400 -0.043 0.000 0.800 1283 E CB -0.528 29.168 29.700 -0.006 0.000 0.746 1283 E HN 0.841 nan 8.360 nan 0.000 0.452 1284 E N 1.109 121.301 120.200 -0.014 0.000 2.160 1284 E HA -0.153 4.197 4.350 0.000 0.000 0.195 1284 E C 1.227 177.790 176.600 -0.062 0.000 0.991 1284 E CA 0.523 56.952 56.400 0.048 0.000 0.810 1284 E CB -0.149 29.708 29.700 0.263 0.000 0.742 1284 E HN 0.061 nan 8.360 nan 0.000 0.466 1285 N N 0.000 118.496 118.700 -0.340 0.000 1.763 1285 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1285 N CA 0.000 52.778 53.050 -0.454 0.000 0.885 1285 N CB 0.000 37.938 38.487 -0.915 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667