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 1dll_1_A DATA FIRST_RESID 875 DATA SEQUENCE EDIDVILKKS TILNLDINND IISDISGFNS SVITYPDAQL VPGINGKAIH DATA SEQUENCE LVNNESSEVI VHKAMDIEYN DMFNNFTVSF WLRVPKVSAS HLEQYGTNEY DATA SEQUENCE SIISSMKKHS LSIGSGWSVS LKGNNLIWTL KDSAGEVRQI TFRDLPDKFN DATA SEQUENCE AYLANKWVFI TITNDRLSSA NLYINGVLMG SAEITGLGAI REDNNITLKL DATA SEQUENCE DRCNNNNQYV SIDKFRIFCK ALNPKEIEKL YTSYLSITFL RDFWGNPLRY DATA SEQUENCE DTEYYLIPVA SSSKDVQLKN ITDYMYLTNA PSYTNGKLNI YYRRLYNGLK DATA SEQUENCE FIIKRYTPNN EIDSFVKSGD FIKLYVSYNN NEHIVGYPKD GNAFNNLDRI DATA SEQUENCE LRVGYNAPGI PLYKKMEAVK LRDLKTYSVQ LKLYDDKNAS LGLVGTHNGQ DATA SEQUENCE IGNDPNRDIL IASNWYFNHL KDKILGCDWY FVPTDEGWTN D 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 875 E HA 0.000 nan 4.350 nan 0.000 0.291 875 E C 0.000 176.593 176.600 -0.012 0.000 1.382 875 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 875 E CB 0.000 29.697 29.700 -0.006 0.000 0.812 876 D N 0.987 121.381 120.400 -0.010 0.000 2.225 876 D HA 0.242 4.881 4.640 -0.001 0.000 0.248 876 D C 1.159 177.449 176.300 -0.018 0.000 1.096 876 D CA -0.156 53.836 54.000 -0.014 0.000 0.863 876 D CB 0.898 41.691 40.800 -0.012 0.000 1.156 876 D HN -0.024 nan 8.370 nan 0.000 0.450 877 I N 2.457 123.010 120.570 -0.028 0.000 2.151 877 I HA -0.270 3.899 4.170 -0.001 0.000 0.243 877 I C 1.340 177.441 176.117 -0.028 0.000 1.080 877 I CA 1.036 62.313 61.300 -0.038 0.000 1.339 877 I CB -0.198 37.770 38.000 -0.054 0.000 1.039 877 I HN 0.540 nan 8.210 nan 0.000 0.409 878 D N 0.598 120.983 120.400 -0.025 0.000 2.123 878 D HA -0.144 4.496 4.640 -0.001 0.000 0.196 878 D C 2.314 178.619 176.300 0.008 0.000 0.992 878 D CA 1.201 55.192 54.000 -0.015 0.000 0.833 878 D CB -0.422 40.365 40.800 -0.022 0.000 0.954 878 D HN 0.187 nan 8.370 nan 0.000 0.455 879 V N 1.359 121.277 119.914 0.007 0.000 2.307 879 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 879 V C 2.455 178.571 176.094 0.036 0.000 1.045 879 V CA 0.920 63.231 62.300 0.019 0.000 1.024 879 V CB -0.292 31.539 31.823 0.013 0.000 0.651 879 V HN 0.150 nan 8.190 nan 0.000 0.449 880 I N -0.083 120.502 120.570 0.025 0.000 2.163 880 I HA -0.230 3.940 4.170 -0.001 0.000 0.243 880 I C 2.453 178.615 176.117 0.076 0.000 1.085 880 I CA 1.753 63.073 61.300 0.034 0.000 1.347 880 I CB -1.228 36.770 38.000 -0.002 0.000 1.044 880 I HN 0.273 nan 8.210 nan 0.000 0.408 881 L N 0.390 121.652 121.223 0.065 0.000 2.013 881 L HA -0.264 4.076 4.340 -0.001 0.000 0.212 881 L C 2.684 179.709 176.870 0.259 0.000 1.073 881 L CA 1.686 56.628 54.840 0.169 0.000 0.753 881 L CB -0.639 41.481 42.059 0.103 0.000 0.890 881 L HN 0.287 nan 8.230 nan 0.000 0.432 882 K N 0.488 120.973 120.400 0.141 0.000 2.025 882 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 882 K C 2.185 178.858 176.600 0.122 0.000 1.049 882 K CA 1.275 57.630 56.287 0.113 0.000 0.933 882 K CB 0.069 32.607 32.500 0.063 0.000 0.714 882 K HN 0.166 nan 8.250 nan 0.000 0.438 883 K N 0.411 120.879 120.400 0.113 0.000 2.063 883 K HA -0.101 4.218 4.320 -0.001 0.000 0.208 883 K C 2.035 178.731 176.600 0.160 0.000 1.048 883 K CA 1.835 58.192 56.287 0.115 0.000 0.928 883 K CB -0.097 32.456 32.500 0.088 0.000 0.713 883 K HN 0.268 nan 8.250 nan 0.000 0.442 884 S N 0.039 115.855 115.700 0.194 0.000 2.603 884 S HA 0.004 4.473 4.470 -0.001 0.000 0.220 884 S C 0.589 175.325 174.600 0.227 0.000 0.967 884 S CA -0.112 58.226 58.200 0.230 0.000 0.920 884 S CB -0.044 63.310 63.200 0.257 0.000 0.773 884 S HN -0.023 nan 8.310 nan 0.000 0.529 885 T N 3.635 118.278 114.554 0.148 0.000 2.779 885 T HA 0.385 4.734 4.350 -0.001 0.000 0.296 885 T C 1.091 175.801 174.700 0.017 0.000 0.938 885 T CA -0.233 61.804 62.100 -0.105 0.000 1.119 885 T CB 0.569 69.352 68.868 -0.143 0.000 0.891 885 T HN 0.545 nan 8.240 nan 0.000 0.526 886 I N 0.986 121.488 120.570 -0.113 0.000 4.082 886 I HA 0.544 4.714 4.170 -0.001 0.000 0.337 886 I C -0.390 175.657 176.117 -0.117 0.000 1.352 886 I CA -0.264 60.909 61.300 -0.211 0.000 1.097 886 I CB 0.482 38.198 38.000 -0.474 0.000 1.048 886 I HN 0.299 nan 8.210 nan 0.000 0.393 887 L N 1.797 122.974 121.223 -0.077 0.000 2.565 887 L HA 0.611 4.951 4.340 -0.001 0.000 0.261 887 L C -2.073 174.774 176.870 -0.037 0.000 0.932 887 L CA -0.377 54.463 54.840 0.000 0.000 0.878 887 L CB 1.965 44.047 42.059 0.039 0.000 1.333 887 L HN 0.165 nan 8.230 nan 0.000 0.409 888 N N 4.722 123.450 118.700 0.047 0.000 2.664 888 N HA 0.382 5.121 4.740 -0.001 0.000 0.268 888 N C -1.881 173.699 175.510 0.116 0.000 1.222 888 N CA -0.315 52.765 53.050 0.050 0.000 0.805 888 N CB 0.971 39.475 38.487 0.028 0.000 1.399 888 N HN 0.652 nan 8.380 nan 0.000 0.547 889 L N 1.596 122.923 121.223 0.174 0.000 2.313 889 L HA 0.385 4.725 4.340 -0.001 0.000 0.282 889 L C 0.206 177.165 176.870 0.147 0.000 1.092 889 L CA -0.254 54.690 54.840 0.173 0.000 0.831 889 L CB 0.597 42.792 42.059 0.227 0.000 1.159 889 L HN 0.429 nan 8.230 nan 0.000 0.442 890 D N 3.416 123.880 120.400 0.107 0.000 2.433 890 D HA 0.556 5.196 4.640 -0.001 0.000 0.236 890 D C -0.851 175.485 176.300 0.060 0.000 1.026 890 D CA -0.405 53.645 54.000 0.083 0.000 0.884 890 D CB 2.053 42.895 40.800 0.070 0.000 1.384 890 D HN 0.251 nan 8.370 nan 0.000 0.477 891 I N 2.930 123.523 120.570 0.040 0.000 2.382 891 I HA 0.358 4.528 4.170 -0.001 0.000 0.285 891 I C -0.423 175.698 176.117 0.007 0.000 1.007 891 I CA -0.633 60.682 61.300 0.025 0.000 1.142 891 I CB 0.924 38.937 38.000 0.022 0.000 1.289 891 I HN 0.089 nan 8.210 nan 0.000 0.453 892 N N 6.210 124.916 118.700 0.009 0.000 2.310 892 N HA 0.283 5.022 4.740 -0.001 0.000 0.292 892 N C -0.639 174.873 175.510 0.003 0.000 1.049 892 N CA -0.591 52.460 53.050 0.002 0.000 0.849 892 N CB 1.953 40.444 38.487 0.006 0.000 1.532 892 N HN 0.491 nan 8.380 nan 0.000 0.479 893 N N 1.631 120.330 118.700 -0.001 0.000 2.735 893 N HA -0.170 4.570 4.740 -0.001 0.000 0.248 893 N C -0.959 174.553 175.510 0.002 0.000 1.083 893 N CA 0.886 53.936 53.050 0.001 0.000 0.703 893 N CB -0.769 37.720 38.487 0.003 0.000 1.005 893 N HN 0.714 nan 8.380 nan 0.000 0.550 894 D N -1.588 118.814 120.400 0.002 0.000 2.911 894 D HA -0.190 4.450 4.640 -0.001 0.000 0.227 894 D C -0.186 176.119 176.300 0.008 0.000 1.164 894 D CA 0.966 54.969 54.000 0.005 0.000 0.782 894 D CB -0.722 40.080 40.800 0.005 0.000 1.094 894 D HN 0.479 nan 8.370 nan 0.000 0.425 895 I N 0.759 121.335 120.570 0.009 0.000 2.545 895 I HA 0.378 4.548 4.170 -0.001 0.000 0.292 895 I C 0.737 176.865 176.117 0.019 0.000 1.040 895 I CA -0.756 60.550 61.300 0.010 0.000 1.068 895 I CB 1.839 39.843 38.000 0.006 0.000 1.251 895 I HN -0.176 nan 8.210 nan 0.000 0.424 896 I N 5.085 125.668 120.570 0.022 0.000 2.353 896 I HA 0.399 4.568 4.170 -0.001 0.000 0.293 896 I C 0.386 176.524 176.117 0.035 0.000 0.992 896 I CA 0.037 61.359 61.300 0.036 0.000 1.268 896 I CB 1.471 39.497 38.000 0.043 0.000 1.387 896 I HN 0.688 nan 8.210 nan 0.000 0.478 897 S N 2.693 118.422 115.700 0.048 0.000 2.596 897 S HA 0.399 4.869 4.470 -0.001 0.000 0.270 897 S C -1.281 173.361 174.600 0.070 0.000 1.155 897 S CA -1.062 57.168 58.200 0.049 0.000 0.827 897 S CB 1.957 65.180 63.200 0.038 0.000 1.130 897 S HN 0.570 nan 8.310 nan 0.000 0.467 898 D N 0.767 121.212 120.400 0.075 0.000 2.316 898 D HA 0.354 4.993 4.640 -0.001 0.000 0.245 898 D C 0.798 177.146 176.300 0.080 0.000 1.171 898 D CA -0.651 53.405 54.000 0.093 0.000 0.856 898 D CB 0.364 41.228 40.800 0.107 0.000 1.090 898 D HN 0.643 nan 8.370 nan 0.000 0.476 899 I N 1.066 121.683 120.570 0.077 0.000 3.914 899 I HA 0.159 4.329 4.170 -0.001 0.000 0.333 899 I C 1.335 177.490 176.117 0.062 0.000 1.449 899 I CA -0.351 60.985 61.300 0.060 0.000 1.135 899 I CB 0.107 38.138 38.000 0.052 0.000 1.073 899 I HN 0.227 nan 8.210 nan 0.000 0.401 900 S N 1.321 117.076 115.700 0.092 0.000 2.382 900 S HA 0.069 4.539 4.470 -0.001 0.000 0.228 900 S C 1.804 176.461 174.600 0.094 0.000 1.027 900 S CA 1.320 59.594 58.200 0.124 0.000 0.991 900 S CB -0.443 62.887 63.200 0.217 0.000 0.823 900 S HN 0.853 nan 8.310 nan 0.000 0.469 901 G N -0.387 108.440 108.800 0.046 0.000 2.336 901 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.194 901 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.194 901 G C 0.484 175.253 174.900 -0.218 0.000 0.999 901 G CA 0.078 45.115 45.100 -0.104 0.000 0.669 901 G HN 0.481 nan 8.290 nan 0.000 0.482 902 F N 1.371 121.331 119.950 0.016 0.000 2.615 902 F HA 0.269 4.796 4.527 -0.001 0.000 0.297 902 F C 1.590 177.403 175.800 0.022 0.000 1.124 902 F CA 0.957 58.968 58.000 0.018 0.000 1.451 902 F CB 0.139 39.150 39.000 0.018 0.000 1.103 902 F HN 0.145 nan 8.300 nan 0.000 0.569 903 N N 0.650 119.440 118.700 0.150 0.000 2.758 903 N HA -0.183 4.557 4.740 -0.001 0.000 0.248 903 N C -0.377 175.203 175.510 0.117 0.000 1.076 903 N CA 0.614 53.725 53.050 0.102 0.000 0.696 903 N CB -1.456 37.068 38.487 0.061 0.000 0.979 903 N HN 0.046 nan 8.380 nan 0.000 0.550 904 S N 0.215 115.997 115.700 0.136 0.000 2.549 904 S HA 0.197 4.666 4.470 -0.001 0.000 0.279 904 S C 0.636 175.293 174.600 0.095 0.000 1.321 904 S CA -0.211 58.060 58.200 0.118 0.000 1.054 904 S CB 1.110 64.378 63.200 0.113 0.000 0.899 904 S HN 0.236 nan 8.310 nan 0.000 0.497 905 S N 2.160 117.923 115.700 0.104 0.000 2.531 905 S HA 0.276 4.746 4.470 -0.001 0.000 0.279 905 S C -0.240 174.358 174.600 -0.003 0.000 1.305 905 S CA -0.573 57.673 58.200 0.077 0.000 1.058 905 S CB 0.328 63.621 63.200 0.156 0.000 0.899 905 S HN 0.471 nan 8.310 nan 0.000 0.493 906 V N 5.638 125.540 119.914 -0.020 0.000 2.417 906 V HA 0.442 4.562 4.120 -0.001 0.000 0.291 906 V C -0.415 175.627 176.094 -0.087 0.000 1.024 906 V CA -0.749 61.519 62.300 -0.054 0.000 0.861 906 V CB 1.417 33.240 31.823 -0.001 0.000 0.985 906 V HN 0.662 nan 8.190 nan 0.000 0.436 907 I N 3.650 124.141 120.570 -0.133 0.000 2.355 907 I HA 0.372 4.541 4.170 -0.001 0.000 0.288 907 I C 0.342 176.412 176.117 -0.078 0.000 0.999 907 I CA -0.115 61.097 61.300 -0.147 0.000 1.163 907 I CB 1.454 39.342 38.000 -0.186 0.000 1.316 907 I HN 0.525 nan 8.210 nan 0.000 0.454 908 T N 6.678 121.161 114.554 -0.117 0.000 2.743 908 T HA 0.450 4.799 4.350 -0.001 0.000 0.292 908 T C -0.087 174.546 174.700 -0.111 0.000 0.972 908 T CA -0.225 61.857 62.100 -0.030 0.000 0.967 908 T CB 0.314 69.171 68.868 -0.018 0.000 0.926 908 T HN 0.131 nan 8.240 nan 0.000 0.459 909 Y N 3.402 123.681 120.300 -0.035 0.000 2.299 909 Y HA 0.225 4.775 4.550 -0.001 0.000 0.335 909 Y C -1.153 174.736 175.900 -0.018 0.000 1.287 909 Y CA -1.857 56.226 58.100 -0.029 0.000 1.424 909 Y CB 0.032 38.470 38.460 -0.036 0.000 1.326 909 Y HN 0.472 nan 8.280 nan 0.000 0.567 910 P HA -0.168 nan 4.420 nan 0.000 0.216 910 P C 0.512 177.846 177.300 0.055 0.000 1.150 910 P CA 1.818 64.948 63.100 0.051 0.000 0.843 910 P CB 0.282 32.009 31.700 0.045 0.000 0.787 911 D N -1.488 118.955 120.400 0.072 0.000 2.427 911 D HA 0.221 4.861 4.640 -0.001 0.000 0.224 911 D C -0.115 176.219 176.300 0.056 0.000 1.157 911 D CA -0.278 53.753 54.000 0.052 0.000 0.828 911 D CB -0.462 40.360 40.800 0.035 0.000 0.974 911 D HN -0.046 nan 8.370 nan 0.000 0.498 912 A N 0.736 123.597 122.820 0.069 0.000 2.347 912 A HA 0.386 4.706 4.320 -0.001 0.000 0.287 912 A C 0.365 177.995 177.584 0.076 0.000 1.199 912 A CA -0.220 51.858 52.037 0.067 0.000 0.851 912 A CB 0.342 19.385 19.000 0.073 0.000 1.118 912 A HN 0.170 nan 8.150 nan 0.000 0.525 913 Q N 1.055 120.920 119.800 0.107 0.000 2.193 913 Q HA 0.681 5.021 4.340 -0.001 0.000 0.246 913 Q C -1.028 175.046 176.000 0.123 0.000 0.959 913 Q CA -0.532 55.340 55.803 0.114 0.000 0.904 913 Q CB 1.816 30.648 28.738 0.158 0.000 1.238 913 Q HN 0.720 nan 8.270 nan 0.000 0.469 914 L N 1.838 123.107 121.223 0.076 0.000 2.333 914 L HA 0.634 4.973 4.340 -0.001 0.000 0.280 914 L C -0.503 176.391 176.870 0.040 0.000 1.004 914 L CA -0.898 53.985 54.840 0.072 0.000 0.820 914 L CB 1.483 43.569 42.059 0.045 0.000 1.247 914 L HN 0.452 nan 8.230 nan 0.000 0.416 915 V N 1.177 121.130 119.914 0.065 0.000 3.155 915 V HA 0.710 4.829 4.120 -0.001 0.000 0.313 915 V C -2.708 173.431 176.094 0.075 0.000 1.162 915 V CA -2.795 59.524 62.300 0.031 0.000 1.048 915 V CB 1.704 33.514 31.823 -0.021 0.000 1.092 915 V HN 0.460 nan 8.190 nan 0.000 0.447 916 P HA 0.379 nan 4.420 nan 0.000 0.265 916 P C 0.063 177.418 177.300 0.093 0.000 1.193 916 P CA 0.900 64.030 63.100 0.051 0.000 0.765 916 P CB 0.451 32.194 31.700 0.073 0.000 0.823 917 G N 1.122 109.838 108.800 -0.141 0.000 3.175 917 G HA2 0.392 4.351 3.960 -0.001 0.000 0.255 917 G HA3 0.392 4.351 3.960 -0.001 0.000 0.255 917 G C 0.461 174.915 174.900 -0.742 0.000 1.352 917 G CA -0.685 44.124 45.100 -0.485 0.000 1.037 917 G HN 0.274 nan 8.290 nan 0.000 0.556 918 I N -0.214 119.707 120.570 -1.082 0.000 2.617 918 I HA 0.125 4.295 4.170 -0.001 0.000 0.256 918 I C 0.865 176.604 176.117 -0.630 0.000 1.167 918 I CA 0.753 61.426 61.300 -1.045 0.000 1.469 918 I CB -0.094 36.921 38.000 -1.642 0.000 1.098 918 I HN 0.358 nan 8.210 nan 0.000 0.436 919 N N 0.368 118.768 118.700 -0.500 0.000 2.732 919 N HA 0.428 5.168 4.740 -0.001 0.000 0.230 919 N C -0.252 175.076 175.510 -0.302 0.000 1.487 919 N CA 0.587 53.432 53.050 -0.342 0.000 0.765 919 N CB 0.212 38.583 38.487 -0.194 0.000 1.384 919 N HN 0.312 nan 8.380 nan 0.000 0.530 920 G N 1.063 109.656 108.800 -0.344 0.000 2.253 920 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.190 920 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.190 920 G C -1.486 173.288 174.900 -0.209 0.000 1.274 920 G CA -0.743 44.200 45.100 -0.261 0.000 1.275 920 G HN 0.309 nan 8.290 nan 0.000 0.518 921 K N 0.304 120.624 120.400 -0.132 0.000 2.238 921 K HA 0.806 5.126 4.320 -0.001 0.000 0.239 921 K C -0.105 176.470 176.600 -0.042 0.000 0.987 921 K CA -0.072 56.173 56.287 -0.071 0.000 0.857 921 K CB 2.175 34.659 32.500 -0.026 0.000 1.154 921 K HN 1.055 nan 8.250 nan 0.000 0.439 922 A N 1.368 124.216 122.820 0.046 0.000 2.485 922 A HA 0.625 4.944 4.320 -0.001 0.000 0.292 922 A C -0.730 176.979 177.584 0.208 0.000 1.147 922 A CA -0.870 51.246 52.037 0.132 0.000 0.750 922 A CB 0.639 19.779 19.000 0.233 0.000 1.331 922 A HN 0.657 nan 8.150 nan 0.000 0.419 923 I N 1.713 122.426 120.570 0.238 0.000 2.474 923 I HA 0.192 4.361 4.170 -0.001 0.000 0.287 923 I C 0.142 176.422 176.117 0.272 0.000 1.048 923 I CA 0.056 61.481 61.300 0.207 0.000 1.383 923 I CB 0.614 38.705 38.000 0.152 0.000 1.412 923 I HN 0.649 nan 8.210 nan 0.000 0.531 924 H N 7.470 126.605 119.070 0.108 0.000 2.646 924 H HA 0.474 5.030 4.556 -0.001 0.000 0.328 924 H C -1.504 173.860 175.328 0.061 0.000 0.998 924 H CA -0.724 55.376 56.048 0.086 0.000 1.225 924 H CB 1.286 31.071 29.762 0.039 0.000 1.457 924 H HN 0.465 nan 8.280 nan 0.000 0.505 925 L N 6.192 127.248 121.223 -0.279 0.000 2.307 925 L HA 0.370 4.709 4.340 -0.001 0.000 0.284 925 L C 0.397 177.122 176.870 -0.242 0.000 1.023 925 L CA -1.029 53.704 54.840 -0.179 0.000 0.810 925 L CB 1.627 43.635 42.059 -0.085 0.000 1.231 925 L HN 0.342 nan 8.230 nan 0.000 0.423 926 V N -0.366 119.470 119.914 -0.131 0.000 3.193 926 V HA 0.497 4.617 4.120 -0.001 0.000 0.320 926 V C -0.044 176.008 176.094 -0.070 0.000 1.112 926 V CA -0.897 61.361 62.300 -0.071 0.000 1.026 926 V CB 1.840 33.655 31.823 -0.013 0.000 1.128 926 V HN 0.721 nan 8.190 nan 0.000 0.452 927 N N 2.839 121.494 118.700 -0.075 0.000 3.188 927 N HA 0.284 5.024 4.740 -0.001 0.000 0.279 927 N C -0.730 174.728 175.510 -0.086 0.000 1.213 927 N CA -0.041 52.942 53.050 -0.111 0.000 1.138 927 N CB -1.093 37.291 38.487 -0.172 0.000 1.417 927 N HN 1.064 nan 8.380 nan 0.000 0.526 928 N N -1.522 117.135 118.700 -0.071 0.000 2.591 928 N HA 0.203 4.943 4.740 -0.001 0.000 0.263 928 N C 0.047 175.516 175.510 -0.067 0.000 1.308 928 N CA -0.747 52.267 53.050 -0.059 0.000 0.837 928 N CB 0.693 39.157 38.487 -0.038 0.000 1.548 928 N HN -0.069 nan 8.380 nan 0.000 0.493 929 E N -0.538 119.621 120.200 -0.068 0.000 2.418 929 E HA 0.037 4.386 4.350 -0.001 0.000 0.197 929 E C 0.428 176.966 176.600 -0.103 0.000 1.026 929 E CA 0.800 57.143 56.400 -0.096 0.000 0.862 929 E CB -0.106 29.538 29.700 -0.093 0.000 0.799 929 E HN 0.510 nan 8.360 nan 0.000 0.518 930 S N -0.179 115.494 115.700 -0.045 0.000 2.558 930 S HA 0.061 4.531 4.470 -0.001 0.000 0.217 930 S C 0.789 175.406 174.600 0.029 0.000 0.975 930 S CA 0.004 58.211 58.200 0.012 0.000 0.912 930 S CB 0.157 63.382 63.200 0.041 0.000 0.776 930 S HN 0.171 nan 8.310 nan 0.000 0.526 931 S N 2.101 117.789 115.700 -0.020 0.000 2.835 931 S HA 0.379 4.849 4.470 -0.001 0.000 0.286 931 S C -0.526 174.049 174.600 -0.043 0.000 1.194 931 S CA -0.409 57.785 58.200 -0.010 0.000 1.031 931 S CB -0.086 63.099 63.200 -0.025 0.000 1.216 931 S HN 0.441 nan 8.310 nan 0.000 0.502 932 E N 2.531 122.725 120.200 -0.010 0.000 2.390 932 E HA 0.464 4.813 4.350 -0.001 0.000 0.280 932 E C -1.896 174.739 176.600 0.058 0.000 0.992 932 E CA -0.669 55.694 56.400 -0.063 0.000 0.790 932 E CB 1.865 31.402 29.700 -0.273 0.000 1.248 932 E HN 0.342 nan 8.360 nan 0.000 0.447 933 V N 4.165 124.084 119.914 0.008 0.000 2.483 933 V HA 0.478 4.598 4.120 -0.001 0.000 0.297 933 V C -0.373 175.709 176.094 -0.020 0.000 1.027 933 V CA -0.554 61.772 62.300 0.043 0.000 0.855 933 V CB 1.449 33.276 31.823 0.006 0.000 0.995 933 V HN 0.539 nan 8.190 nan 0.000 0.424 934 I N 4.874 125.453 120.570 0.016 0.000 2.378 934 I HA 0.485 4.654 4.170 -0.001 0.000 0.291 934 I C -0.508 175.519 176.117 -0.150 0.000 0.992 934 I CA -0.853 60.402 61.300 -0.076 0.000 1.154 934 I CB 2.112 40.079 38.000 -0.055 0.000 1.315 934 I HN 0.273 nan 8.210 nan 0.000 0.448 935 V N 5.736 125.584 119.914 -0.110 0.000 2.370 935 V HA 0.227 4.346 4.120 -0.001 0.000 0.279 935 V C -0.213 175.870 176.094 -0.018 0.000 1.029 935 V CA -0.596 61.665 62.300 -0.065 0.000 0.870 935 V CB 0.828 32.675 31.823 0.040 0.000 0.984 935 V HN 0.609 nan 8.190 nan 0.000 0.451 936 H N 3.984 123.068 119.070 0.023 0.000 2.846 936 H HA 0.257 4.813 4.556 -0.001 0.000 0.278 936 H C 0.187 175.518 175.328 0.004 0.000 1.117 936 H CA -0.582 55.469 56.048 0.005 0.000 1.406 936 H CB 0.520 30.286 29.762 0.008 0.000 1.445 936 H HN 0.534 nan 8.280 nan 0.000 0.469 937 K N 2.323 122.784 120.400 0.102 0.000 2.484 937 K HA 0.120 4.439 4.320 -0.001 0.000 0.280 937 K C 0.313 176.925 176.600 0.021 0.000 1.013 937 K CA -0.362 55.945 56.287 0.034 0.000 1.029 937 K CB 0.618 33.099 32.500 -0.032 0.000 0.902 937 K HN 0.584 nan 8.250 nan 0.000 0.481 938 A N 3.620 126.462 122.820 0.036 0.000 2.406 938 A HA -0.004 4.316 4.320 -0.001 0.000 0.243 938 A C 1.429 179.012 177.584 -0.002 0.000 1.082 938 A CA -0.185 51.883 52.037 0.051 0.000 0.786 938 A CB 0.315 19.392 19.000 0.128 0.000 1.029 938 A HN 0.973 nan 8.150 nan 0.000 0.495 939 M N -0.073 119.532 119.600 0.008 0.000 2.089 939 M HA -0.216 4.263 4.480 -0.001 0.000 0.257 939 M C 1.018 177.305 176.300 -0.021 0.000 1.071 939 M CA 2.351 57.640 55.300 -0.019 0.000 1.096 939 M CB -0.604 32.007 32.600 0.019 0.000 1.330 939 M HN 0.862 nan 8.290 nan 0.000 0.403 940 D N 0.200 120.631 120.400 0.052 0.000 2.221 940 D HA -0.125 4.514 4.640 -0.001 0.000 0.204 940 D C 1.527 177.795 176.300 -0.052 0.000 0.982 940 D CA 1.380 55.425 54.000 0.075 0.000 0.857 940 D CB -0.397 40.571 40.800 0.280 0.000 0.934 940 D HN 0.667 nan 8.370 nan 0.000 0.475 941 I N -2.685 117.799 120.570 -0.144 0.000 3.976 941 I HA 0.244 4.414 4.170 -0.001 0.000 0.337 941 I C 1.247 177.238 176.117 -0.210 0.000 1.359 941 I CA -0.237 60.934 61.300 -0.214 0.000 1.098 941 I CB 0.170 37.990 38.000 -0.300 0.000 1.027 941 I HN -0.266 nan 8.210 nan 0.000 0.394 942 E N 1.943 121.959 120.200 -0.307 0.000 2.045 942 E HA -0.249 4.101 4.350 -0.001 0.000 0.212 942 E C 0.340 176.607 176.600 -0.555 0.000 1.039 942 E CA 2.374 58.425 56.400 -0.583 0.000 0.860 942 E CB -0.353 28.660 29.700 -1.145 0.000 0.776 942 E HN 0.764 nan 8.360 nan 0.000 0.467 943 Y N -0.044 120.237 120.300 -0.031 0.000 2.756 943 Y HA 0.283 4.832 4.550 -0.001 0.000 0.300 943 Y C 1.099 176.977 175.900 -0.037 0.000 1.113 943 Y CA -0.518 57.556 58.100 -0.043 0.000 1.291 943 Y CB -0.242 38.202 38.460 -0.027 0.000 1.175 943 Y HN 0.054 nan 8.280 nan 0.000 0.534 944 N N 1.150 119.862 118.700 0.019 0.000 2.223 944 N HA -0.154 4.585 4.740 -0.001 0.000 0.185 944 N C 0.752 176.269 175.510 0.012 0.000 1.016 944 N CA 1.458 54.519 53.050 0.019 0.000 0.863 944 N CB 0.017 38.480 38.487 -0.040 0.000 0.983 944 N HN 0.554 nan 8.380 nan 0.000 0.429 945 D N 0.214 120.557 120.400 -0.094 0.000 2.427 945 D HA -0.005 4.635 4.640 -0.001 0.000 0.224 945 D C 1.400 177.661 176.300 -0.064 0.000 1.157 945 D CA -0.168 53.718 54.000 -0.190 0.000 0.828 945 D CB -0.158 40.142 40.800 -0.833 0.000 0.974 945 D HN 0.225 nan 8.370 nan 0.000 0.498 946 M N -0.738 118.834 119.600 -0.048 0.000 2.077 946 M HA -0.016 4.463 4.480 -0.001 0.000 0.261 946 M C 0.389 176.466 176.300 -0.373 0.000 1.070 946 M CA 1.717 56.875 55.300 -0.236 0.000 1.125 946 M CB 0.087 32.505 32.600 -0.302 0.000 1.339 946 M HN 0.002 nan 8.290 nan 0.000 0.409 947 F N -1.116 118.896 119.950 0.103 0.000 2.834 947 F HA 0.291 4.817 4.527 -0.001 0.000 0.332 947 F C 0.305 176.184 175.800 0.131 0.000 1.056 947 F CA -0.767 57.296 58.000 0.105 0.000 1.178 947 F CB -0.074 38.969 39.000 0.072 0.000 1.037 947 F HN 0.012 nan 8.300 nan 0.000 0.580 948 N N 1.005 119.886 118.700 0.302 0.000 2.463 948 N HA 0.127 4.867 4.740 -0.001 0.000 0.270 948 N C -0.372 175.323 175.510 0.309 0.000 1.205 948 N CA -0.296 52.908 53.050 0.256 0.000 0.974 948 N CB 0.282 38.892 38.487 0.205 0.000 1.197 948 N HN 0.146 nan 8.380 nan 0.000 0.504 949 N N -0.017 118.827 118.700 0.240 0.000 2.479 949 N HA 0.263 5.002 4.740 -0.001 0.000 0.257 949 N C -0.793 174.908 175.510 0.318 0.000 1.232 949 N CA 0.184 53.362 53.050 0.214 0.000 0.920 949 N CB 0.385 38.932 38.487 0.100 0.000 1.105 949 N HN 0.427 nan 8.380 nan 0.000 0.444 950 F N -1.930 118.052 119.950 0.054 0.000 2.693 950 F HA 0.541 5.067 4.527 -0.001 0.000 0.309 950 F C -1.279 174.513 175.800 -0.014 0.000 1.129 950 F CA -0.912 57.112 58.000 0.041 0.000 0.948 950 F CB 1.220 40.252 39.000 0.053 0.000 1.315 950 F HN 0.104 nan 8.300 nan 0.000 0.447 951 T N 2.015 116.599 114.554 0.050 0.000 2.886 951 T HA 0.682 5.031 4.350 -0.001 0.000 0.292 951 T C -1.322 173.382 174.700 0.006 0.000 1.012 951 T CA -0.666 61.360 62.100 -0.124 0.000 0.982 951 T CB 1.998 70.807 68.868 -0.099 0.000 1.018 951 T HN 0.626 nan 8.240 nan 0.000 0.451 952 V N 3.112 122.883 119.914 -0.239 0.000 2.555 952 V HA 0.840 4.960 4.120 -0.001 0.000 0.302 952 V C -0.168 175.797 176.094 -0.216 0.000 1.038 952 V CA -0.703 61.456 62.300 -0.236 0.000 0.887 952 V CB 1.845 33.463 31.823 -0.343 0.000 0.991 952 V HN 1.086 nan 8.190 nan 0.000 0.434 953 S N 3.950 119.567 115.700 -0.138 0.000 2.546 953 S HA 0.969 5.439 4.470 -0.001 0.000 0.274 953 S C -1.074 173.532 174.600 0.010 0.000 1.121 953 S CA -0.716 57.342 58.200 -0.237 0.000 0.887 953 S CB 2.292 65.474 63.200 -0.029 0.000 1.094 953 S HN 1.213 nan 8.310 nan 0.000 0.474 954 F N -2.688 117.100 119.950 -0.269 0.000 2.746 954 F HA 0.718 5.245 4.527 -0.001 0.000 0.311 954 F C -2.051 173.748 175.800 -0.000 0.000 1.135 954 F CA -1.786 56.248 58.000 0.056 0.000 0.954 954 F CB 0.067 39.249 39.000 0.303 0.000 1.276 954 F HN 0.660 nan 8.300 nan 0.000 0.440 955 W N 2.908 124.436 121.300 0.381 0.000 2.313 955 W HA 0.691 5.351 4.660 -0.001 0.000 0.328 955 W C -0.831 176.095 176.519 0.679 0.000 1.197 955 W CA -0.437 57.169 57.345 0.435 0.000 1.235 955 W CB 1.568 31.182 29.460 0.256 0.000 1.158 955 W HN 0.637 nan 8.180 nan 0.000 0.578 956 L N 3.456 125.182 121.223 0.839 0.000 2.401 956 L HA 0.603 4.943 4.340 -0.001 0.000 0.266 956 L C -0.993 176.090 176.870 0.355 0.000 0.991 956 L CA -1.211 54.005 54.840 0.625 0.000 0.818 956 L CB 1.865 44.196 42.059 0.453 0.000 1.321 956 L HN 0.473 nan 8.230 nan 0.000 0.413 957 R N 3.882 124.358 120.500 -0.041 0.000 2.502 957 R HA 0.757 5.097 4.340 -0.001 0.000 0.298 957 R C -2.110 174.120 176.300 -0.117 0.000 1.018 957 R CA -0.498 55.406 56.100 -0.326 0.000 0.899 957 R CB 1.709 31.313 30.300 -1.160 0.000 1.181 957 R HN 0.545 nan 8.270 nan 0.000 0.444 958 V N 6.394 126.291 119.914 -0.030 0.000 2.540 958 V HA 0.488 4.608 4.120 -0.001 0.000 0.302 958 V C -2.016 174.041 176.094 -0.063 0.000 1.035 958 V CA -2.050 60.238 62.300 -0.021 0.000 0.873 958 V CB 1.890 33.734 31.823 0.036 0.000 0.992 958 V HN 0.755 nan 8.190 nan 0.000 0.428 959 P HA 0.077 nan 4.420 nan 0.000 0.269 959 P C -0.675 176.546 177.300 -0.132 0.000 1.215 959 P CA -0.406 62.592 63.100 -0.170 0.000 0.780 959 P CB 0.814 32.292 31.700 -0.371 0.000 0.898 960 K N 1.879 122.196 120.400 -0.137 0.000 2.416 960 K HA 0.156 4.476 4.320 -0.001 0.000 0.283 960 K C -0.523 175.956 176.600 -0.202 0.000 1.037 960 K CA -0.418 55.740 56.287 -0.215 0.000 0.995 960 K CB 0.060 32.257 32.500 -0.505 0.000 0.938 960 K HN 0.166 nan 8.250 nan 0.000 0.475 961 V N 4.978 124.817 119.914 -0.125 0.000 2.479 961 V HA -0.035 4.084 4.120 -0.001 0.000 0.281 961 V C 0.574 176.620 176.094 -0.080 0.000 1.031 961 V CA -0.323 61.951 62.300 -0.044 0.000 1.038 961 V CB 0.528 32.365 31.823 0.024 0.000 0.981 961 V HN 0.970 nan 8.190 nan 0.000 0.478 962 S N 4.561 120.209 115.700 -0.087 0.000 2.580 962 S HA 0.344 4.814 4.470 -0.001 0.000 0.266 962 S C 1.424 175.994 174.600 -0.049 0.000 1.354 962 S CA -0.028 58.082 58.200 -0.150 0.000 1.008 962 S CB 1.183 64.212 63.200 -0.286 0.000 0.898 962 S HN 1.064 nan 8.310 nan 0.000 0.555 963 A N 2.095 124.890 122.820 -0.043 0.000 1.883 963 A HA -0.049 4.270 4.320 -0.001 0.000 0.217 963 A C 2.445 180.050 177.584 0.034 0.000 1.186 963 A CA 1.976 54.040 52.037 0.044 0.000 0.624 963 A CB -1.645 17.417 19.000 0.103 0.000 0.822 963 A HN 0.847 nan 8.150 nan 0.000 0.444 964 S N -1.006 114.683 115.700 -0.018 0.000 2.365 964 S HA -0.217 4.253 4.470 -0.001 0.000 0.225 964 S C 1.738 176.401 174.600 0.106 0.000 1.039 964 S CA 1.662 59.862 58.200 -0.000 0.000 1.033 964 S CB -0.595 62.561 63.200 -0.073 0.000 0.887 964 S HN 0.808 nan 8.310 nan 0.000 0.447 965 H N 0.065 119.169 119.070 0.058 0.000 2.495 965 H HA 0.145 4.701 4.556 -0.001 0.000 0.287 965 H C 1.935 177.344 175.328 0.135 0.000 1.033 965 H CA 0.536 56.676 56.048 0.155 0.000 1.307 965 H CB -0.013 29.852 29.762 0.172 0.000 1.401 965 H HN 0.243 nan 8.280 nan 0.000 0.555 966 L N 0.519 121.855 121.223 0.189 0.000 2.093 966 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 966 L C 2.170 179.089 176.870 0.081 0.000 1.085 966 L CA 1.202 56.117 54.840 0.125 0.000 0.755 966 L CB -0.147 41.966 42.059 0.089 0.000 0.904 966 L HN 0.368 nan 8.230 nan 0.000 0.435 967 E N -0.414 119.820 120.200 0.056 0.000 2.047 967 E HA -0.282 4.068 4.350 -0.001 0.000 0.191 967 E C 2.098 178.670 176.600 -0.047 0.000 0.987 967 E CA 1.121 57.527 56.400 0.010 0.000 0.799 967 E CB -0.057 29.646 29.700 0.005 0.000 0.752 967 E HN 0.462 nan 8.360 nan 0.000 0.449 968 Q N -0.209 119.525 119.800 -0.110 0.000 2.049 968 Q HA -0.141 4.199 4.340 -0.001 0.000 0.198 968 Q C 0.821 176.536 176.000 -0.474 0.000 0.971 968 Q CA 1.347 56.927 55.803 -0.372 0.000 0.833 968 Q CB 0.183 28.558 28.738 -0.605 0.000 0.896 968 Q HN 0.316 nan 8.270 nan 0.000 0.434 969 Y N -1.761 118.546 120.300 0.011 0.000 2.531 969 Y HA 0.351 4.901 4.550 -0.000 0.000 0.249 969 Y C 1.658 177.574 175.900 0.027 0.000 1.168 969 Y CA 0.022 58.118 58.100 -0.006 0.000 1.226 969 Y CB 0.334 38.756 38.460 -0.063 0.000 1.177 969 Y HN 0.171 nan 8.280 nan 0.000 0.527 970 G N 0.182 109.064 108.800 0.136 0.000 2.462 970 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.220 970 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.220 970 G C 1.623 176.575 174.900 0.086 0.000 1.121 970 G CA 1.806 46.969 45.100 0.106 0.000 0.758 970 G HN 0.436 nan 8.290 nan 0.000 0.559 971 T N -2.319 112.280 114.554 0.076 0.000 3.086 971 T HA 0.137 4.487 4.350 -0.001 0.000 0.250 971 T C 0.786 175.534 174.700 0.081 0.000 1.074 971 T CA -0.189 61.947 62.100 0.061 0.000 0.988 971 T CB 0.013 68.903 68.868 0.037 0.000 0.988 971 T HN 0.132 nan 8.240 nan 0.000 0.530 972 N N 2.773 121.549 118.700 0.127 0.000 2.439 972 N HA 0.113 4.853 4.740 -0.001 0.000 0.243 972 N C -0.665 174.954 175.510 0.183 0.000 1.088 972 N CA -0.335 52.805 53.050 0.150 0.000 0.940 972 N CB 0.667 39.269 38.487 0.193 0.000 1.180 972 N HN 0.533 nan 8.380 nan 0.000 0.505 973 E N 3.662 123.935 120.200 0.121 0.000 2.229 973 E HA 0.144 4.494 4.350 -0.001 0.000 0.283 973 E C -1.167 175.512 176.600 0.132 0.000 1.030 973 E CA -0.597 55.848 56.400 0.076 0.000 0.836 973 E CB 0.378 30.091 29.700 0.020 0.000 1.068 973 E HN 0.621 nan 8.360 nan 0.000 0.401 974 Y N 1.082 121.379 120.300 -0.006 0.000 2.425 974 Y HA 0.543 5.092 4.550 -0.001 0.000 0.344 974 Y C -0.501 175.392 175.900 -0.012 0.000 0.969 974 Y CA -1.244 56.842 58.100 -0.023 0.000 1.052 974 Y CB 1.117 39.548 38.460 -0.048 0.000 1.215 974 Y HN 0.171 nan 8.280 nan 0.000 0.451 975 S N 2.718 118.451 115.700 0.054 0.000 2.603 975 S HA 0.392 4.861 4.470 -0.001 0.000 0.268 975 S C 0.941 175.568 174.600 0.044 0.000 1.317 975 S CA -0.165 58.032 58.200 -0.004 0.000 1.012 975 S CB 0.489 63.680 63.200 -0.015 0.000 0.926 975 S HN 0.845 nan 8.310 nan 0.000 0.539 976 I N -1.650 118.924 120.570 0.007 0.000 4.607 976 I HA 0.502 4.671 4.170 -0.001 0.000 0.324 976 I C -0.477 175.605 176.117 -0.058 0.000 1.279 976 I CA 0.020 61.327 61.300 0.012 0.000 1.286 976 I CB 0.303 38.321 38.000 0.029 0.000 1.265 976 I HN 0.316 nan 8.210 nan 0.000 0.446 977 I N 1.076 121.623 120.570 -0.037 0.000 2.607 977 I HA 0.573 4.743 4.170 -0.001 0.000 0.290 977 I C -0.753 175.365 176.117 0.001 0.000 1.129 977 I CA -0.588 60.676 61.300 -0.061 0.000 1.042 977 I CB 2.122 40.071 38.000 -0.086 0.000 1.242 977 I HN 0.108 nan 8.210 nan 0.000 0.421 978 S N 2.375 117.929 115.700 -0.244 0.000 2.547 978 S HA 0.464 4.934 4.470 -0.001 0.000 0.270 978 S C 0.010 174.133 174.600 -0.796 0.000 1.150 978 S CA -0.046 57.846 58.200 -0.512 0.000 0.850 978 S CB 1.855 64.887 63.200 -0.280 0.000 1.118 978 S HN 0.742 nan 8.310 nan 0.000 0.461 979 S N 2.283 117.308 115.700 -1.125 0.000 2.578 979 S HA 0.401 4.871 4.470 -0.001 0.000 0.231 979 S C 0.191 174.491 174.600 -0.500 0.000 0.994 979 S CA -0.417 57.259 58.200 -0.873 0.000 0.956 979 S CB -0.418 62.042 63.200 -1.233 0.000 0.870 979 S HN 0.633 nan 8.310 nan 0.000 0.494 980 M N 2.628 121.983 119.600 -0.408 0.000 2.146 980 M HA 0.337 4.816 4.480 -0.001 0.000 0.352 980 M C 0.417 176.613 176.300 -0.174 0.000 1.343 980 M CA -0.100 55.051 55.300 -0.248 0.000 1.115 980 M CB 0.866 33.344 32.600 -0.203 0.000 1.657 980 M HN 0.091 nan 8.290 nan 0.000 0.471 981 K N 2.015 122.338 120.400 -0.128 0.000 2.159 981 K HA 0.120 4.440 4.320 -0.001 0.000 0.242 981 K C 0.534 177.099 176.600 -0.059 0.000 1.043 981 K CA 0.478 56.718 56.287 -0.078 0.000 0.856 981 K CB 0.488 32.957 32.500 -0.052 0.000 1.072 981 K HN 0.571 nan 8.250 nan 0.000 0.514 982 K N -1.083 119.304 120.400 -0.020 0.000 2.313 982 K HA -0.024 4.296 4.320 -0.001 0.000 0.159 982 K C 0.360 176.971 176.600 0.019 0.000 1.815 982 K CA 0.031 56.309 56.287 -0.015 0.000 1.013 982 K CB 0.032 32.515 32.500 -0.027 0.000 1.728 982 K HN 0.562 nan 8.250 nan 0.000 0.502 983 H N -0.410 118.631 119.070 -0.049 0.000 2.652 983 H HA 0.242 4.798 4.556 -0.001 0.000 0.274 983 H C 0.787 176.095 175.328 -0.033 0.000 1.021 983 H CA 1.312 57.336 56.048 -0.040 0.000 1.187 983 H CB 0.982 30.720 29.762 -0.040 0.000 1.505 983 H HN 0.263 nan 8.280 nan 0.000 0.530 984 S N -0.040 115.634 115.700 -0.042 0.000 2.882 984 S HA 0.126 4.595 4.470 -0.001 0.000 0.258 984 S C 0.053 174.617 174.600 -0.060 0.000 1.081 984 S CA -0.378 57.788 58.200 -0.056 0.000 0.886 984 S CB 0.232 63.437 63.200 0.009 0.000 0.855 984 S HN 0.110 nan 8.310 nan 0.000 0.467 985 L N 0.901 122.096 121.223 -0.046 0.000 2.376 985 L HA 0.771 5.110 4.340 -0.001 0.000 0.275 985 L C 0.244 177.086 176.870 -0.048 0.000 0.987 985 L CA -0.599 54.215 54.840 -0.044 0.000 0.828 985 L CB 1.522 43.560 42.059 -0.034 0.000 1.249 985 L HN -0.064 nan 8.230 nan 0.000 0.409 986 S N 2.192 117.863 115.700 -0.050 0.000 2.653 986 S HA 0.056 4.525 4.470 -0.001 0.000 0.233 986 S C 1.588 176.164 174.600 -0.041 0.000 0.970 986 S CA 0.238 58.410 58.200 -0.047 0.000 0.947 986 S CB -0.330 62.843 63.200 -0.045 0.000 0.771 986 S HN 0.641 nan 8.310 nan 0.000 0.538 987 I N 1.502 122.047 120.570 -0.041 0.000 2.193 987 I HA -0.022 4.147 4.170 -0.001 0.000 0.240 987 I C 1.864 177.952 176.117 -0.049 0.000 1.084 987 I CA 1.457 62.732 61.300 -0.041 0.000 1.365 987 I CB -1.587 36.390 38.000 -0.038 0.000 1.064 987 I HN 0.455 nan 8.210 nan 0.000 0.410 988 G N 1.630 110.396 108.800 -0.058 0.000 2.298 988 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.287 988 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.287 988 G C 0.463 175.311 174.900 -0.086 0.000 1.075 988 G CA 0.682 45.738 45.100 -0.074 0.000 0.960 988 G HN 0.526 nan 8.290 nan 0.000 0.502 989 S N -0.490 115.161 115.700 -0.081 0.000 2.592 989 S HA 0.828 5.297 4.470 -0.001 0.000 0.271 989 S C 1.088 175.618 174.600 -0.116 0.000 1.326 989 S CA 1.411 59.562 58.200 -0.082 0.000 1.024 989 S CB 1.325 64.485 63.200 -0.066 0.000 0.921 989 S HN 2.355 nan 8.310 nan 0.000 0.527 990 G N 2.652 111.388 108.800 -0.105 0.000 2.250 990 G HA2 0.062 4.022 3.960 -0.001 0.000 0.252 990 G HA3 0.062 4.022 3.960 -0.001 0.000 0.252 990 G C -1.161 173.682 174.900 -0.095 0.000 1.325 990 G CA -0.243 44.764 45.100 -0.154 0.000 1.091 990 G HN 1.135 nan 8.290 nan 0.000 0.476 991 W N 0.156 121.365 121.300 -0.152 0.000 2.962 991 W HA 0.820 5.480 4.660 -0.001 0.000 0.341 991 W C -0.158 176.187 176.519 -0.290 0.000 1.155 991 W CA -0.583 56.569 57.345 -0.322 0.000 1.165 991 W CB 1.434 30.711 29.460 -0.305 0.000 1.435 991 W HN 1.544 nan 8.180 nan 0.000 0.546 992 S N 0.169 115.844 115.700 -0.041 0.000 2.541 992 S HA 0.642 5.111 4.470 -0.001 0.000 0.271 992 S C -1.713 173.030 174.600 0.240 0.000 1.133 992 S CA -0.769 57.492 58.200 0.102 0.000 0.876 992 S CB 1.894 65.064 63.200 -0.049 0.000 1.105 992 S HN 0.450 nan 8.310 nan 0.000 0.470 993 V N 3.024 123.172 119.914 0.390 0.000 2.370 993 V HA 0.800 4.920 4.120 -0.001 0.000 0.283 993 V C 0.150 176.336 176.094 0.154 0.000 1.023 993 V CA -0.131 62.404 62.300 0.392 0.000 0.857 993 V CB 0.852 32.936 31.823 0.434 0.000 0.985 993 V HN 1.158 nan 8.190 nan 0.000 0.443 994 S N 5.599 121.352 115.700 0.088 0.000 2.627 994 S HA 0.888 5.357 4.470 -0.001 0.000 0.283 994 S C -1.157 173.345 174.600 -0.163 0.000 1.127 994 S CA -0.911 57.241 58.200 -0.081 0.000 0.863 994 S CB 2.037 65.195 63.200 -0.069 0.000 1.121 994 S HN 0.406 nan 8.310 nan 0.000 0.479 995 L N 0.781 121.730 121.223 -0.457 0.000 2.370 995 L HA 0.693 5.032 4.340 -0.001 0.000 0.266 995 L C -0.565 176.085 176.870 -0.367 0.000 1.002 995 L CA -0.578 53.998 54.840 -0.441 0.000 0.818 995 L CB 2.239 43.908 42.059 -0.649 0.000 1.325 995 L HN 0.838 nan 8.230 nan 0.000 0.418 996 K N 1.982 122.311 120.400 -0.119 0.000 2.687 996 K HA 0.504 4.823 4.320 -0.001 0.000 0.249 996 K C 0.181 176.803 176.600 0.036 0.000 0.994 996 K CA 0.267 56.552 56.287 -0.004 0.000 0.913 996 K CB 1.374 33.875 32.500 0.002 0.000 1.202 996 K HN 0.769 nan 8.250 nan 0.000 0.460 997 G N 3.873 112.727 108.800 0.090 0.000 2.611 997 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.301 997 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.301 997 G C 0.134 175.064 174.900 0.050 0.000 1.233 997 G CA 0.480 45.628 45.100 0.081 0.000 0.993 997 G HN 0.770 nan 8.290 nan 0.000 0.553 998 N N 2.140 120.855 118.700 0.025 0.000 2.378 998 N HA 0.208 4.947 4.740 -0.001 0.000 0.243 998 N C -0.469 175.026 175.510 -0.024 0.000 1.137 998 N CA -0.240 52.814 53.050 0.007 0.000 0.862 998 N CB 0.034 38.518 38.487 -0.005 0.000 1.116 998 N HN 0.345 nan 8.380 nan 0.000 0.499 999 N N 1.160 119.854 118.700 -0.011 0.000 2.362 999 N HA 0.259 4.999 4.740 -0.001 0.000 0.298 999 N C -1.296 174.242 175.510 0.047 0.000 1.048 999 N CA -0.530 52.512 53.050 -0.013 0.000 0.858 999 N CB 2.451 40.931 38.487 -0.012 0.000 1.218 999 N HN 0.034 nan 8.380 nan 0.000 0.488 1000 L N 2.764 124.071 121.223 0.140 0.000 2.296 1000 L HA 0.618 4.958 4.340 -0.001 0.000 0.286 1000 L C -1.079 175.901 176.870 0.183 0.000 1.023 1000 L CA -0.380 54.567 54.840 0.179 0.000 0.812 1000 L CB 0.662 42.890 42.059 0.281 0.000 1.223 1000 L HN 0.460 nan 8.230 nan 0.000 0.421 1001 I N 4.921 125.582 120.570 0.152 0.000 2.545 1001 I HA 0.338 4.508 4.170 -0.001 0.000 0.292 1001 I C -1.288 174.992 176.117 0.272 0.000 1.040 1001 I CA -0.405 60.998 61.300 0.172 0.000 1.068 1001 I CB 1.896 39.949 38.000 0.088 0.000 1.251 1001 I HN 0.659 nan 8.210 nan 0.000 0.424 1002 W N 6.446 127.787 121.300 0.068 0.000 2.475 1002 W HA 0.611 5.270 4.660 -0.001 0.000 0.317 1002 W C -1.128 175.448 176.519 0.096 0.000 1.046 1002 W CA -0.570 56.829 57.345 0.090 0.000 1.215 1002 W CB 1.917 31.404 29.460 0.044 0.000 1.335 1002 W HN 0.518 nan 8.180 nan 0.000 0.471 1003 T N 6.210 120.465 114.554 -0.498 0.000 2.912 1003 T HA 0.640 4.990 4.350 -0.001 0.000 0.299 1003 T C -1.534 172.831 174.700 -0.558 0.000 1.052 1003 T CA -0.551 61.306 62.100 -0.404 0.000 0.996 1003 T CB 1.279 70.052 68.868 -0.159 0.000 1.070 1003 T HN 0.430 nan 8.240 nan 0.000 0.465 1004 L N 3.594 124.635 121.223 -0.304 0.000 2.365 1004 L HA 0.693 5.032 4.340 -0.001 0.000 0.273 1004 L C -0.424 176.413 176.870 -0.055 0.000 1.000 1004 L CA -0.952 53.807 54.840 -0.135 0.000 0.819 1004 L CB 2.199 44.269 42.059 0.018 0.000 1.284 1004 L HN 0.663 nan 8.230 nan 0.000 0.418 1005 K N 2.150 122.529 120.400 -0.035 0.000 2.507 1005 K HA 0.342 4.662 4.320 -0.001 0.000 0.251 1005 K C -1.348 175.241 176.600 -0.020 0.000 0.943 1005 K CA -0.646 55.623 56.287 -0.030 0.000 0.794 1005 K CB 1.855 34.324 32.500 -0.051 0.000 1.188 1005 K HN 0.634 nan 8.250 nan 0.000 0.428 1006 D N 1.761 122.156 120.400 -0.008 0.000 2.478 1006 D HA 0.103 4.743 4.640 -0.001 0.000 0.269 1006 D C 0.465 176.747 176.300 -0.029 0.000 1.232 1006 D CA -0.444 53.545 54.000 -0.018 0.000 1.059 1006 D CB 0.672 41.474 40.800 0.002 0.000 1.104 1006 D HN 0.325 nan 8.370 nan 0.000 0.566 1007 S N -1.196 114.481 115.700 -0.038 0.000 2.440 1007 S HA -0.054 4.416 4.470 -0.001 0.000 0.238 1007 S C 1.590 176.180 174.600 -0.017 0.000 1.010 1007 S CA 0.994 59.173 58.200 -0.034 0.000 0.972 1007 S CB -0.428 62.748 63.200 -0.039 0.000 0.774 1007 S HN 0.636 nan 8.310 nan 0.000 0.501 1008 A N -0.064 122.752 122.820 -0.006 0.000 2.308 1008 A HA 0.553 4.872 4.320 -0.001 0.000 0.217 1008 A C 1.526 179.108 177.584 -0.004 0.000 1.216 1008 A CA 0.577 52.613 52.037 -0.001 0.000 0.864 1008 A CB -0.455 18.552 19.000 0.011 0.000 0.902 1008 A HN 0.762 nan 8.150 nan 0.000 0.499 1009 G N -0.298 108.495 108.800 -0.010 0.000 2.143 1009 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.249 1009 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.249 1009 G C 0.055 174.951 174.900 -0.006 0.000 0.981 1009 G CA 0.457 45.549 45.100 -0.013 0.000 0.665 1009 G HN 0.703 nan 8.290 nan 0.000 0.528 1010 E N -0.153 120.048 120.200 0.002 0.000 2.398 1010 E HA 0.572 4.922 4.350 -0.001 0.000 0.263 1010 E C 0.096 176.699 176.600 0.005 0.000 1.046 1010 E CA -0.148 56.258 56.400 0.009 0.000 0.908 1010 E CB 1.194 30.906 29.700 0.021 0.000 0.963 1010 E HN 0.403 nan 8.360 nan 0.000 0.431 1011 V N 4.957 124.874 119.914 0.006 0.000 2.876 1011 V HA 0.595 4.714 4.120 -0.001 0.000 0.312 1011 V C -0.813 175.288 176.094 0.010 0.000 1.085 1011 V CA -0.880 61.420 62.300 -0.000 0.000 0.945 1011 V CB 2.068 33.885 31.823 -0.010 0.000 1.017 1011 V HN 0.604 nan 8.190 nan 0.000 0.428 1012 R N 3.341 123.846 120.500 0.009 0.000 2.621 1012 R HA 0.667 5.007 4.340 -0.001 0.000 0.284 1012 R C -1.199 175.113 176.300 0.020 0.000 0.998 1012 R CA -0.622 55.495 56.100 0.029 0.000 0.895 1012 R CB 2.250 32.583 30.300 0.056 0.000 1.195 1012 R HN 0.761 nan 8.270 nan 0.000 0.450 1013 Q N 1.935 121.762 119.800 0.045 0.000 2.389 1013 Q HA 0.578 4.918 4.340 -0.001 0.000 0.277 1013 Q C -0.663 175.403 176.000 0.110 0.000 1.082 1013 Q CA -0.822 55.018 55.803 0.063 0.000 0.810 1013 Q CB 3.271 32.032 28.738 0.039 0.000 1.374 1013 Q HN 0.460 nan 8.270 nan 0.000 0.422 1014 I N 1.296 121.970 120.570 0.175 0.000 2.389 1014 I HA 0.332 4.501 4.170 -0.001 0.000 0.288 1014 I C -0.558 175.650 176.117 0.152 0.000 0.999 1014 I CA -0.418 60.974 61.300 0.153 0.000 1.129 1014 I CB 2.034 40.128 38.000 0.156 0.000 1.288 1014 I HN 0.429 nan 8.210 nan 0.000 0.444 1015 T N 6.589 121.212 114.554 0.116 0.000 2.821 1015 T HA 0.301 4.651 4.350 -0.001 0.000 0.307 1015 T C -0.587 174.194 174.700 0.136 0.000 1.034 1015 T CA -0.278 61.888 62.100 0.109 0.000 0.953 1015 T CB 0.246 69.149 68.868 0.058 0.000 0.968 1015 T HN 0.232 nan 8.240 nan 0.000 0.462 1016 F N 4.968 124.924 119.950 0.011 0.000 2.404 1016 F HA 0.433 4.960 4.527 -0.001 0.000 0.358 1016 F C 0.408 176.218 175.800 0.017 0.000 1.120 1016 F CA -1.360 56.638 58.000 -0.005 0.000 1.144 1016 F CB 0.463 39.444 39.000 -0.032 0.000 1.133 1016 F HN 0.324 nan 8.300 nan 0.000 0.495 1017 R N 4.666 124.774 120.500 -0.653 0.000 2.202 1017 R HA 0.139 4.478 4.340 -0.001 0.000 0.334 1017 R C -0.492 175.237 176.300 -0.953 0.000 1.036 1017 R CA -0.785 54.974 56.100 -0.568 0.000 0.878 1017 R CB 0.646 30.780 30.300 -0.276 0.000 1.067 1017 R HN 0.614 nan 8.270 nan 0.000 0.457 1018 D N 2.192 122.200 120.400 -0.653 0.000 2.361 1018 D HA 0.055 4.695 4.640 -0.001 0.000 0.239 1018 D C 0.178 176.375 176.300 -0.171 0.000 1.200 1018 D CA -0.219 53.545 54.000 -0.393 0.000 0.915 1018 D CB 0.821 41.596 40.800 -0.042 0.000 1.170 1018 D HN 0.262 nan 8.370 nan 0.000 0.444 1019 L N 2.924 124.145 121.223 -0.003 0.000 2.485 1019 L HA 0.078 4.417 4.340 -0.001 0.000 0.275 1019 L C -1.243 175.600 176.870 -0.044 0.000 1.207 1019 L CA -1.135 53.705 54.840 0.001 0.000 0.855 1019 L CB 0.310 42.378 42.059 0.014 0.000 1.114 1019 L HN 0.455 nan 8.230 nan 0.000 0.485 1020 P HA -0.104 nan 4.420 nan 0.000 0.219 1020 P C 0.042 177.125 177.300 -0.363 0.000 1.150 1020 P CA 0.808 63.862 63.100 -0.077 0.000 0.814 1020 P CB 0.090 31.845 31.700 0.091 0.000 0.787 1021 D N 0.381 120.471 120.400 -0.518 0.000 2.359 1021 D HA -0.009 4.630 4.640 -0.001 0.000 0.250 1021 D C 0.955 177.181 176.300 -0.123 0.000 1.264 1021 D CA 0.013 53.617 54.000 -0.661 0.000 0.911 1021 D CB 0.399 40.995 40.800 -0.340 0.000 1.056 1021 D HN -0.194 nan 8.370 nan 0.000 0.499 1022 K N 3.246 123.669 120.400 0.039 0.000 2.283 1022 K HA -0.127 4.193 4.320 -0.001 0.000 0.202 1022 K C 1.582 178.418 176.600 0.393 0.000 1.048 1022 K CA 0.287 56.663 56.287 0.149 0.000 0.948 1022 K CB -0.362 32.111 32.500 -0.044 0.000 0.742 1022 K HN 0.476 nan 8.250 nan 0.000 0.458 1023 F N 2.269 122.421 119.950 0.337 0.000 2.216 1023 F HA -0.111 4.415 4.527 -0.001 0.000 0.300 1023 F C 1.187 177.073 175.800 0.144 0.000 1.085 1023 F CA 1.208 59.385 58.000 0.294 0.000 1.326 1023 F CB 0.186 39.310 39.000 0.206 0.000 1.027 1023 F HN 0.051 nan 8.300 nan 0.000 0.497 1024 N N 0.022 118.796 118.700 0.123 0.000 2.184 1024 N HA 0.243 4.983 4.740 -0.001 0.000 0.206 1024 N C 0.190 175.532 175.510 -0.280 0.000 1.151 1024 N CA 0.474 53.488 53.050 -0.059 0.000 0.878 1024 N CB 0.321 38.854 38.487 0.076 0.000 1.014 1024 N HN 0.145 nan 8.380 nan 0.000 0.512 1025 A N -0.074 122.627 122.820 -0.198 0.000 2.313 1025 A HA 0.303 4.623 4.320 -0.001 0.000 0.261 1025 A C 0.334 177.701 177.584 -0.361 0.000 1.090 1025 A CA -0.083 51.781 52.037 -0.288 0.000 0.807 1025 A CB 0.243 19.206 19.000 -0.061 0.000 1.055 1025 A HN 0.181 nan 8.150 nan 0.000 0.492 1026 Y N -0.185 120.207 120.300 0.152 0.000 2.503 1026 Y HA 0.207 4.756 4.550 -0.001 0.000 0.278 1026 Y C 0.789 176.774 175.900 0.142 0.000 1.111 1026 Y CA 0.460 58.647 58.100 0.145 0.000 1.270 1026 Y CB 0.075 38.627 38.460 0.152 0.000 1.063 1026 Y HN 0.371 nan 8.280 nan 0.000 0.548 1027 L N 0.218 121.585 121.223 0.240 0.000 3.047 1027 L HA 0.556 4.896 4.340 -0.001 0.000 0.242 1027 L C 0.310 177.234 176.870 0.089 0.000 1.315 1027 L CA -0.272 54.665 54.840 0.162 0.000 1.042 1027 L CB 0.203 42.351 42.059 0.150 0.000 1.420 1027 L HN 0.026 nan 8.230 nan 0.000 0.517 1028 A N 0.276 123.162 122.820 0.110 0.000 3.176 1028 A HA 0.374 4.693 4.320 -0.001 0.000 0.265 1028 A C 0.669 178.413 177.584 0.267 0.000 0.936 1028 A CA -0.257 51.855 52.037 0.126 0.000 1.033 1028 A CB -0.008 19.073 19.000 0.134 0.000 1.158 1028 A HN 0.449 nan 8.150 nan 0.000 0.485 1029 N N -0.394 118.388 118.700 0.137 0.000 2.979 1029 N HA -0.147 4.593 4.740 -0.001 0.000 0.234 1029 N C -0.217 175.395 175.510 0.170 0.000 0.938 1029 N CA 1.834 54.910 53.050 0.043 0.000 0.961 1029 N CB -1.194 37.205 38.487 -0.147 0.000 1.089 1029 N HN 0.733 nan 8.380 nan 0.000 0.576 1030 K N -0.653 119.902 120.400 0.259 0.000 2.118 1030 K HA 0.285 4.604 4.320 -0.001 0.000 0.254 1030 K C -0.360 176.411 176.600 0.285 0.000 0.961 1030 K CA -0.609 55.868 56.287 0.317 0.000 0.876 1030 K CB 0.698 33.358 32.500 0.266 0.000 1.077 1030 K HN 0.064 nan 8.250 nan 0.000 0.440 1031 W N 2.281 123.816 121.300 0.392 0.000 2.251 1031 W HA 0.168 4.827 4.660 -0.000 0.000 0.327 1031 W C 0.177 177.112 176.519 0.693 0.000 1.361 1031 W CA -0.319 57.313 57.345 0.478 0.000 1.234 1031 W CB 0.651 30.301 29.460 0.316 0.000 1.212 1031 W HN 0.209 nan 8.180 nan 0.000 0.557 1032 V N 2.001 122.451 119.914 0.893 0.000 3.007 1032 V HA 0.577 4.697 4.120 -0.001 0.000 0.311 1032 V C -1.400 174.807 176.094 0.189 0.000 1.120 1032 V CA -1.476 61.149 62.300 0.541 0.000 0.980 1032 V CB 1.931 33.945 31.823 0.318 0.000 1.033 1032 V HN 0.301 nan 8.190 nan 0.000 0.429 1033 F N 4.669 124.270 119.950 -0.582 0.000 2.385 1033 F HA 0.762 5.289 4.527 -0.001 0.000 0.360 1033 F C -0.422 174.903 175.800 -0.793 0.000 1.122 1033 F CA -1.488 55.847 58.000 -1.109 0.000 1.090 1033 F CB 1.033 39.091 39.000 -1.569 0.000 1.150 1033 F HN 0.410 nan 8.300 nan 0.000 0.472 1034 I N 4.733 124.465 120.570 -1.398 0.000 2.385 1034 I HA 0.357 4.526 4.170 -0.001 0.000 0.294 1034 I C 0.170 175.418 176.117 -1.449 0.000 0.988 1034 I CA -0.333 60.185 61.300 -1.304 0.000 1.265 1034 I CB 1.226 38.334 38.000 -1.486 0.000 1.388 1034 I HN 0.615 nan 8.210 nan 0.000 0.480 1035 T N 6.647 120.629 114.554 -0.954 0.000 3.071 1035 T HA 0.711 5.060 4.350 -0.001 0.000 0.311 1035 T C -1.146 173.256 174.700 -0.496 0.000 1.042 1035 T CA -0.414 61.249 62.100 -0.728 0.000 1.028 1035 T CB 0.831 69.303 68.868 -0.660 0.000 1.068 1035 T HN 0.284 nan 8.240 nan 0.000 0.451 1036 I N 4.713 124.936 120.570 -0.577 0.000 2.439 1036 I HA 0.425 4.595 4.170 -0.001 0.000 0.285 1036 I C 0.501 176.233 176.117 -0.642 0.000 1.021 1036 I CA -0.658 60.218 61.300 -0.705 0.000 1.091 1036 I CB 2.293 39.511 38.000 -1.303 0.000 1.242 1036 I HN 0.809 nan 8.210 nan 0.000 0.439 1037 T N 1.899 116.194 114.554 -0.431 0.000 2.895 1037 T HA 0.528 4.878 4.350 -0.001 0.000 0.283 1037 T C -0.388 174.083 174.700 -0.381 0.000 1.014 1037 T CA -0.889 60.988 62.100 -0.372 0.000 1.037 1037 T CB 1.379 70.125 68.868 -0.204 0.000 1.006 1037 T HN 0.445 nan 8.240 nan 0.000 0.468 1038 N N 2.507 120.953 118.700 -0.424 0.000 2.540 1038 N HA 0.245 4.985 4.740 -0.001 0.000 0.275 1038 N C -1.838 173.583 175.510 -0.149 0.000 1.053 1038 N CA -0.501 52.355 53.050 -0.323 0.000 0.876 1038 N CB 2.067 40.174 38.487 -0.634 0.000 1.284 1038 N HN 0.816 nan 8.380 nan 0.000 0.518 1039 D N 1.819 122.184 120.400 -0.060 0.000 2.427 1039 D HA 0.222 4.861 4.640 -0.001 0.000 0.226 1039 D C 1.024 177.349 176.300 0.041 0.000 1.076 1039 D CA -0.418 53.580 54.000 -0.004 0.000 0.849 1039 D CB 0.863 41.656 40.800 -0.012 0.000 1.052 1039 D HN 0.106 nan 8.370 nan 0.000 0.515 1040 R N 3.025 123.576 120.500 0.084 0.000 2.193 1040 R HA -0.002 4.338 4.340 -0.001 0.000 0.229 1040 R C 1.264 177.616 176.300 0.087 0.000 1.110 1040 R CA 0.663 56.832 56.100 0.115 0.000 0.988 1040 R CB -0.383 30.019 30.300 0.170 0.000 0.871 1040 R HN 0.596 nan 8.270 nan 0.000 0.458 1041 L N 0.131 121.391 121.223 0.061 0.000 2.592 1041 L HA 0.055 4.395 4.340 -0.001 0.000 0.227 1041 L C 1.573 178.464 176.870 0.034 0.000 1.127 1041 L CA 0.467 55.334 54.840 0.045 0.000 0.884 1041 L CB -0.050 42.030 42.059 0.035 0.000 1.065 1041 L HN 0.209 nan 8.230 nan 0.000 0.457 1042 S N -3.037 112.682 115.700 0.031 0.000 4.848 1042 S HA 0.294 4.763 4.470 -0.001 0.000 0.151 1042 S C 0.318 174.929 174.600 0.018 0.000 1.055 1042 S CA -0.302 57.910 58.200 0.019 0.000 1.208 1042 S CB 0.876 64.081 63.200 0.008 0.000 2.035 1042 S HN 0.021 nan 8.310 nan 0.000 0.792 1043 S N 0.314 116.017 115.700 0.004 0.000 2.667 1043 S HA 0.891 5.361 4.470 -0.001 0.000 0.292 1043 S C -0.986 173.603 174.600 -0.018 0.000 1.126 1043 S CA -0.231 57.969 58.200 -0.001 0.000 0.881 1043 S CB 1.689 64.877 63.200 -0.020 0.000 1.132 1043 S HN 1.052 nan 8.310 nan 0.000 0.492 1044 A N 2.077 124.892 122.820 -0.008 0.000 2.292 1044 A HA 0.738 5.058 4.320 -0.001 0.000 0.319 1044 A C -0.619 176.899 177.584 -0.110 0.000 1.206 1044 A CA -0.677 51.335 52.037 -0.042 0.000 0.835 1044 A CB 0.286 19.348 19.000 0.104 0.000 1.164 1044 A HN 0.707 nan 8.150 nan 0.000 0.505 1045 N N 1.395 119.975 118.700 -0.202 0.000 2.296 1045 N HA 0.421 5.160 4.740 -0.001 0.000 0.294 1045 N C -1.774 173.495 175.510 -0.401 0.000 1.033 1045 N CA -0.509 52.364 53.050 -0.295 0.000 0.839 1045 N CB 2.314 40.632 38.487 -0.282 0.000 1.395 1045 N HN 0.524 nan 8.380 nan 0.000 0.479 1046 L N 3.114 124.043 121.223 -0.490 0.000 2.287 1046 L HA 0.519 4.859 4.340 -0.001 0.000 0.287 1046 L C -1.578 174.897 176.870 -0.658 0.000 1.022 1046 L CA -0.485 54.059 54.840 -0.493 0.000 0.814 1046 L CB 0.116 41.948 42.059 -0.379 0.000 1.217 1046 L HN 0.385 nan 8.230 nan 0.000 0.420 1047 Y N 5.162 125.154 120.300 -0.512 0.000 2.485 1047 Y HA 0.669 5.219 4.550 -0.001 0.000 0.345 1047 Y C -0.210 175.296 175.900 -0.658 0.000 0.998 1047 Y CA -0.741 57.045 58.100 -0.522 0.000 1.059 1047 Y CB 1.891 40.082 38.460 -0.449 0.000 1.234 1047 Y HN 0.393 nan 8.280 nan 0.000 0.461 1048 I N 2.986 123.231 120.570 -0.542 0.000 2.439 1048 I HA 0.252 4.421 4.170 -0.001 0.000 0.285 1048 I C -0.736 175.021 176.117 -0.600 0.000 1.021 1048 I CA -0.930 59.962 61.300 -0.679 0.000 1.091 1048 I CB 1.460 38.892 38.000 -0.948 0.000 1.242 1048 I HN 0.692 nan 8.210 nan 0.000 0.439 1049 N N 4.810 123.102 118.700 -0.680 0.000 2.740 1049 N HA -0.187 4.552 4.740 -0.001 0.000 0.248 1049 N C 0.962 175.980 175.510 -0.820 0.000 1.062 1049 N CA 1.370 53.793 53.050 -1.044 0.000 0.704 1049 N CB -1.068 37.159 38.487 -0.433 0.000 0.968 1049 N HN 1.177 nan 8.380 nan 0.000 0.547 1050 G N -2.916 105.538 108.800 -0.578 0.000 2.196 1050 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.268 1050 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.268 1050 G C 0.101 174.975 174.900 -0.042 0.000 0.975 1050 G CA 0.599 45.566 45.100 -0.221 0.000 0.648 1050 G HN 0.567 nan 8.290 nan 0.000 0.538 1051 V N 1.262 121.123 119.914 -0.089 0.000 2.427 1051 V HA 0.616 4.736 4.120 -0.001 0.000 0.286 1051 V C 0.632 176.644 176.094 -0.138 0.000 1.034 1051 V CA -0.861 61.406 62.300 -0.056 0.000 0.893 1051 V CB 1.699 33.456 31.823 -0.110 0.000 0.982 1051 V HN 0.414 nan 8.190 nan 0.000 0.452 1052 L N 6.000 127.110 121.223 -0.188 0.000 2.410 1052 L HA 0.221 4.561 4.340 -0.001 0.000 0.273 1052 L C 0.799 177.421 176.870 -0.414 0.000 1.144 1052 L CA 0.896 55.388 54.840 -0.579 0.000 0.863 1052 L CB 0.682 42.425 42.059 -0.527 0.000 1.140 1052 L HN 0.598 nan 8.230 nan 0.000 0.463 1053 M N 3.647 122.949 119.600 -0.496 0.000 2.449 1053 M HA 0.464 4.943 4.480 -0.001 0.000 0.262 1053 M C 0.643 176.842 176.300 -0.169 0.000 1.152 1053 M CA 0.333 55.410 55.300 -0.371 0.000 1.104 1053 M CB -0.080 32.010 32.600 -0.850 0.000 1.416 1053 M HN 0.661 nan 8.290 nan 0.000 0.519 1054 G N -0.000 108.652 108.800 -0.247 0.000 2.547 1054 G HA2 0.558 4.518 3.960 -0.001 0.000 0.291 1054 G HA3 0.558 4.518 3.960 -0.001 0.000 0.291 1054 G C -1.442 173.356 174.900 -0.169 0.000 1.471 1054 G CA -0.220 44.814 45.100 -0.109 0.000 0.798 1054 G HN 0.207 nan 8.290 nan 0.000 0.504 1055 S N -1.492 114.154 115.700 -0.091 0.000 2.615 1055 S HA 0.966 5.436 4.470 -0.001 0.000 0.269 1055 S C -0.731 173.857 174.600 -0.020 0.000 1.161 1055 S CA -0.161 57.987 58.200 -0.087 0.000 0.817 1055 S CB 1.695 64.829 63.200 -0.110 0.000 1.131 1055 S HN 2.526 nan 8.310 nan 0.000 0.467 1056 A N 0.645 123.465 122.820 0.000 0.000 2.517 1056 A HA 0.711 5.030 4.320 -0.001 0.000 0.297 1056 A C -0.978 176.623 177.584 0.028 0.000 1.050 1056 A CA -0.762 51.292 52.037 0.028 0.000 0.694 1056 A CB 1.046 20.084 19.000 0.064 0.000 1.277 1056 A HN 0.816 nan 8.150 nan 0.000 0.400 1057 E N 1.241 121.456 120.200 0.025 0.000 2.360 1057 E HA 0.303 4.652 4.350 -0.001 0.000 0.269 1057 E C 0.536 177.162 176.600 0.043 0.000 1.022 1057 E CA 0.202 56.618 56.400 0.027 0.000 0.887 1057 E CB 0.694 30.407 29.700 0.022 0.000 0.990 1057 E HN 0.609 nan 8.360 nan 0.000 0.426 1058 I N -1.039 119.562 120.570 0.052 0.000 4.050 1058 I HA 0.141 4.311 4.170 -0.001 0.000 0.327 1058 I C 0.279 176.439 176.117 0.072 0.000 1.473 1058 I CA -0.609 60.734 61.300 0.071 0.000 1.124 1058 I CB 0.358 38.416 38.000 0.097 0.000 1.129 1058 I HN 0.234 nan 8.210 nan 0.000 0.428 1059 T N -0.936 113.652 114.554 0.057 0.000 2.918 1059 T HA 0.546 4.895 4.350 -0.001 0.000 0.302 1059 T C 1.184 175.918 174.700 0.057 0.000 1.045 1059 T CA 0.426 62.561 62.100 0.059 0.000 1.114 1059 T CB 1.403 70.298 68.868 0.044 0.000 0.965 1059 T HN 0.704 nan 8.240 nan 0.000 0.540 1060 G N 1.255 110.093 108.800 0.063 0.000 2.201 1060 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.212 1060 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.212 1060 G C -0.106 174.834 174.900 0.067 0.000 0.994 1060 G CA -0.323 44.811 45.100 0.057 0.000 0.644 1060 G HN 0.800 nan 8.290 nan 0.000 0.508 1061 L N 1.213 122.486 121.223 0.084 0.000 2.334 1061 L HA 0.656 4.996 4.340 -0.001 0.000 0.277 1061 L C 1.495 178.440 176.870 0.125 0.000 1.075 1061 L CA -0.061 54.834 54.840 0.090 0.000 0.804 1061 L CB 1.377 43.494 42.059 0.098 0.000 1.174 1061 L HN 0.230 nan 8.230 nan 0.000 0.438 1062 G N 1.268 110.137 108.800 0.115 0.000 3.022 1062 G HA2 0.518 4.477 3.960 -0.001 0.000 0.157 1062 G HA3 0.518 4.477 3.960 -0.001 0.000 0.157 1062 G C -0.404 174.546 174.900 0.083 0.000 1.468 1062 G CA -0.185 45.029 45.100 0.189 0.000 1.058 1062 G HN 0.716 nan 8.290 nan 0.000 0.581 1063 A N -0.378 122.398 122.820 -0.073 0.000 2.491 1063 A HA 0.483 4.802 4.320 -0.001 0.000 0.261 1063 A C -0.014 177.387 177.584 -0.305 0.000 1.101 1063 A CA -0.093 51.575 52.037 -0.615 0.000 0.772 1063 A CB -0.387 18.267 19.000 -0.577 0.000 1.043 1063 A HN 0.394 nan 8.150 nan 0.000 0.501 1064 I N 3.446 123.840 120.570 -0.293 0.000 2.301 1064 I HA 0.187 4.357 4.170 -0.001 0.000 0.292 1064 I C 0.635 176.672 176.117 -0.133 0.000 1.046 1064 I CA 0.219 61.442 61.300 -0.129 0.000 1.282 1064 I CB 0.635 38.617 38.000 -0.030 0.000 1.409 1064 I HN 0.613 nan 8.210 nan 0.000 0.484 1065 R N 6.930 127.370 120.500 -0.101 0.000 2.423 1065 R HA 0.197 4.537 4.340 -0.001 0.000 0.293 1065 R C -0.210 176.057 176.300 -0.055 0.000 1.196 1065 R CA -0.409 55.651 56.100 -0.066 0.000 1.262 1065 R CB 0.737 30.995 30.300 -0.069 0.000 1.116 1065 R HN 0.646 nan 8.270 nan 0.000 0.566 1066 E N 0.494 120.657 120.200 -0.061 0.000 2.292 1066 E HA 0.151 4.500 4.350 -0.001 0.000 0.258 1066 E C -0.487 176.059 176.600 -0.090 0.000 1.115 1066 E CA -0.952 55.381 56.400 -0.111 0.000 0.929 1066 E CB 0.736 30.326 29.700 -0.183 0.000 1.161 1066 E HN 0.063 nan 8.360 nan 0.000 0.453 1067 D N -0.164 120.159 120.400 -0.129 0.000 2.362 1067 D HA -0.093 4.547 4.640 -0.001 0.000 0.238 1067 D C 0.562 176.808 176.300 -0.090 0.000 1.212 1067 D CA -0.059 53.882 54.000 -0.099 0.000 0.902 1067 D CB 0.653 41.380 40.800 -0.121 0.000 1.180 1067 D HN 0.521 nan 8.370 nan 0.000 0.445 1068 N N 1.143 119.807 118.700 -0.060 0.000 2.457 1068 N HA -0.082 4.657 4.740 -0.001 0.000 0.180 1068 N C -0.635 174.863 175.510 -0.020 0.000 1.050 1068 N CA 0.313 53.329 53.050 -0.057 0.000 0.906 1068 N CB -0.046 38.410 38.487 -0.052 0.000 0.968 1068 N HN 0.317 nan 8.380 nan 0.000 0.445 1069 N N 0.127 118.818 118.700 -0.016 0.000 2.417 1069 N HA 0.331 5.071 4.740 -0.001 0.000 0.300 1069 N C -0.661 174.794 175.510 -0.090 0.000 1.102 1069 N CA -0.334 52.723 53.050 0.010 0.000 0.886 1069 N CB 1.845 40.359 38.487 0.045 0.000 1.203 1069 N HN 0.001 nan 8.380 nan 0.000 0.496 1070 I N 1.128 121.653 120.570 -0.075 0.000 2.330 1070 I HA 0.198 4.367 4.170 -0.001 0.000 0.289 1070 I C -0.178 175.842 176.117 -0.162 0.000 1.001 1070 I CA -0.311 60.908 61.300 -0.135 0.000 1.193 1070 I CB 1.136 39.158 38.000 0.037 0.000 1.345 1070 I HN 0.201 nan 8.210 nan 0.000 0.461 1071 T N 7.386 121.808 114.554 -0.219 0.000 2.758 1071 T HA 0.489 4.838 4.350 -0.001 0.000 0.285 1071 T C -0.279 174.292 174.700 -0.215 0.000 0.981 1071 T CA -0.448 61.535 62.100 -0.196 0.000 0.965 1071 T CB 0.948 69.708 68.868 -0.181 0.000 0.927 1071 T HN 0.129 nan 8.240 nan 0.000 0.448 1072 L N 4.482 125.583 121.223 -0.204 0.000 2.264 1072 L HA 0.607 4.947 4.340 -0.001 0.000 0.287 1072 L C 0.158 176.948 176.870 -0.133 0.000 1.039 1072 L CA 0.185 54.905 54.840 -0.199 0.000 0.829 1072 L CB 0.337 42.264 42.059 -0.220 0.000 1.211 1072 L HN 0.526 nan 8.230 nan 0.000 0.427 1073 K N 3.097 123.431 120.400 -0.111 0.000 2.622 1073 K HA 0.391 4.711 4.320 -0.001 0.000 0.273 1073 K C -1.597 174.975 176.600 -0.046 0.000 0.957 1073 K CA -0.727 55.506 56.287 -0.090 0.000 0.861 1073 K CB 1.383 33.808 32.500 -0.126 0.000 1.405 1073 K HN 0.337 nan 8.250 nan 0.000 0.406 1074 L N 3.083 124.286 121.223 -0.033 0.000 2.369 1074 L HA 0.200 4.540 4.340 -0.001 0.000 0.279 1074 L C -0.273 176.592 176.870 -0.008 0.000 1.108 1074 L CA -0.040 54.810 54.840 0.018 0.000 0.852 1074 L CB 0.483 42.504 42.059 -0.063 0.000 1.169 1074 L HN 0.518 nan 8.230 nan 0.000 0.452 1075 D N 4.590 125.018 120.400 0.047 0.000 2.408 1075 D HA 0.311 4.951 4.640 -0.001 0.000 0.243 1075 D C 0.184 176.510 176.300 0.044 0.000 1.075 1075 D CA -0.425 53.579 54.000 0.008 0.000 0.832 1075 D CB 0.930 41.719 40.800 -0.018 0.000 1.162 1075 D HN 0.416 nan 8.370 nan 0.000 0.515 1076 R N 1.148 121.650 120.500 0.003 0.000 3.774 1076 R HA -0.161 4.179 4.340 -0.001 0.000 0.320 1076 R C -0.457 175.848 176.300 0.009 0.000 1.175 1076 R CA 0.389 56.496 56.100 0.013 0.000 0.849 1076 R CB -2.338 27.984 30.300 0.036 0.000 1.365 1076 R HN 0.456 nan 8.270 nan 0.000 0.502 1077 C N 1.240 120.480 119.300 -0.099 0.000 2.303 1077 C HA 0.280 4.740 4.460 -0.001 0.000 0.341 1077 C C 1.526 176.354 174.990 -0.271 0.000 1.244 1077 C CA -0.753 58.073 59.018 -0.320 0.000 1.765 1077 C CB 0.193 27.502 27.740 -0.719 0.000 2.379 1077 C HN 0.386 nan 8.230 nan 0.000 0.530 1078 N N 3.209 121.778 118.700 -0.219 0.000 2.446 1078 N HA -0.029 4.710 4.740 -0.001 0.000 0.179 1078 N C 0.191 175.518 175.510 -0.305 0.000 1.054 1078 N CA 0.553 53.528 53.050 -0.125 0.000 0.905 1078 N CB -0.242 38.303 38.487 0.097 0.000 0.973 1078 N HN 0.740 nan 8.380 nan 0.000 0.448 1079 N N 1.868 120.127 118.700 -0.735 0.000 2.415 1079 N HA 0.076 4.816 4.740 -0.001 0.000 0.246 1079 N C 0.466 175.671 175.510 -0.509 0.000 1.078 1079 N CA -0.138 52.333 53.050 -0.966 0.000 0.942 1079 N CB 0.280 37.876 38.487 -1.485 0.000 1.140 1079 N HN -0.093 nan 8.380 nan 0.000 0.501 1080 N N 2.926 121.448 118.700 -0.298 0.000 2.192 1080 N HA -0.140 4.599 4.740 -0.001 0.000 0.188 1080 N C 0.270 175.691 175.510 -0.149 0.000 1.013 1080 N CA 1.041 53.986 53.050 -0.175 0.000 0.863 1080 N CB -0.012 38.423 38.487 -0.088 0.000 0.990 1080 N HN 0.580 nan 8.380 nan 0.000 0.430 1081 N N 0.727 119.329 118.700 -0.163 0.000 2.336 1081 N HA -0.034 4.705 4.740 -0.001 0.000 0.189 1081 N C 0.239 175.689 175.510 -0.101 0.000 1.113 1081 N CA 0.034 53.044 53.050 -0.067 0.000 0.858 1081 N CB 0.166 38.653 38.487 -0.001 0.000 0.970 1081 N HN 0.340 nan 8.380 nan 0.000 0.471 1082 Q N 1.203 120.847 119.800 -0.261 0.000 2.352 1082 Q HA 0.123 4.463 4.340 -0.001 0.000 0.260 1082 Q C -1.038 174.857 176.000 -0.174 0.000 0.976 1082 Q CA 0.011 55.613 55.803 -0.335 0.000 0.881 1082 Q CB 0.236 28.671 28.738 -0.505 0.000 1.235 1082 Q HN 0.308 nan 8.270 nan 0.000 0.419 1083 Y N 0.733 120.948 120.300 -0.141 0.000 2.615 1083 Y HA 0.771 5.320 4.550 -0.001 0.000 0.341 1083 Y C -1.232 174.590 175.900 -0.130 0.000 1.089 1083 Y CA -1.292 56.698 58.100 -0.184 0.000 1.049 1083 Y CB 0.761 39.098 38.460 -0.206 0.000 1.296 1083 Y HN 0.438 nan 8.280 nan 0.000 0.470 1084 V N -1.578 118.366 119.914 0.049 0.000 3.114 1084 V HA 0.913 5.033 4.120 -0.001 0.000 0.308 1084 V C -1.019 175.113 176.094 0.062 0.000 1.168 1084 V CA -0.913 61.431 62.300 0.073 0.000 1.015 1084 V CB 1.719 33.592 31.823 0.083 0.000 1.050 1084 V HN 0.940 nan 8.190 nan 0.000 0.433 1085 S N 2.252 118.016 115.700 0.107 0.000 2.526 1085 S HA 0.881 5.350 4.470 -0.001 0.000 0.293 1085 S C -0.717 174.084 174.600 0.335 0.000 1.092 1085 S CA -0.498 57.823 58.200 0.203 0.000 0.980 1085 S CB 1.447 64.747 63.200 0.166 0.000 1.048 1085 S HN 0.758 nan 8.310 nan 0.000 0.483 1086 I N 1.955 122.807 120.570 0.470 0.000 2.686 1086 I HA 0.547 4.717 4.170 -0.001 0.000 0.295 1086 I C -1.204 175.232 176.117 0.531 0.000 1.114 1086 I CA -0.485 61.137 61.300 0.537 0.000 1.038 1086 I CB 2.336 40.496 38.000 0.265 0.000 1.238 1086 I HN 0.471 nan 8.210 nan 0.000 0.420 1087 D N 4.597 125.334 120.400 0.562 0.000 2.661 1087 D HA 0.368 5.007 4.640 -0.001 0.000 0.228 1087 D C -0.745 175.782 176.300 0.378 0.000 1.183 1087 D CA -0.350 53.840 54.000 0.316 0.000 0.844 1087 D CB 1.511 42.291 40.800 -0.033 0.000 1.555 1087 D HN 0.321 nan 8.370 nan 0.000 0.453 1088 K N 1.302 121.862 120.400 0.266 0.000 3.071 1088 K HA -0.238 4.081 4.320 -0.001 0.000 0.265 1088 K C -0.086 176.725 176.600 0.352 0.000 1.060 1088 K CA 0.231 56.684 56.287 0.277 0.000 0.767 1088 K CB -2.533 30.071 32.500 0.172 0.000 1.241 1088 K HN 0.455 nan 8.250 nan 0.000 0.486 1089 F N 1.547 121.643 119.950 0.243 0.000 2.612 1089 F HA 0.051 4.578 4.527 -0.001 0.000 0.389 1089 F C 0.877 176.781 175.800 0.173 0.000 1.055 1089 F CA 0.637 58.776 58.000 0.231 0.000 1.232 1089 F CB 0.348 39.437 39.000 0.147 0.000 1.044 1089 F HN 0.195 nan 8.300 nan 0.000 0.560 1090 R N 6.629 126.765 120.500 -0.607 0.000 2.626 1090 R HA 0.621 4.961 4.340 -0.001 0.000 0.274 1090 R C -1.839 174.096 176.300 -0.608 0.000 1.031 1090 R CA -0.722 55.105 56.100 -0.455 0.000 0.898 1090 R CB 1.327 31.492 30.300 -0.224 0.000 1.222 1090 R HN 0.745 nan 8.270 nan 0.000 0.455 1091 I N 4.118 124.376 120.570 -0.520 0.000 2.465 1091 I HA 0.435 4.604 4.170 -0.001 0.000 0.291 1091 I C -1.041 174.843 176.117 -0.388 0.000 1.014 1091 I CA -0.743 60.369 61.300 -0.314 0.000 1.093 1091 I CB 1.667 39.598 38.000 -0.114 0.000 1.267 1091 I HN 0.445 nan 8.210 nan 0.000 0.431 1092 F N 3.640 123.582 119.950 -0.014 0.000 2.522 1092 F HA 0.281 4.808 4.527 -0.001 0.000 0.324 1092 F C 0.879 176.710 175.800 0.052 0.000 1.077 1092 F CA -0.920 57.086 58.000 0.010 0.000 0.944 1092 F CB 1.397 40.389 39.000 -0.013 0.000 1.175 1092 F HN 0.505 nan 8.300 nan 0.000 0.468 1093 C N 0.854 120.289 119.300 0.224 0.000 2.269 1093 C HA 0.565 5.025 4.460 -0.001 0.000 0.378 1093 C C -0.138 174.952 174.990 0.166 0.000 1.319 1093 C CA -0.593 58.528 59.018 0.170 0.000 1.721 1093 C CB -2.361 25.438 27.740 0.098 0.000 1.998 1093 C HN 0.836 nan 8.230 nan 0.000 0.582 1094 K N -1.005 119.492 120.400 0.162 0.000 2.615 1094 K HA 0.669 4.989 4.320 -0.001 0.000 0.291 1094 K C -1.372 175.232 176.600 0.007 0.000 1.017 1094 K CA -0.407 55.929 56.287 0.081 0.000 0.882 1094 K CB 1.069 33.598 32.500 0.048 0.000 1.522 1094 K HN 0.085 nan 8.250 nan 0.000 0.412 1095 A N 2.679 125.475 122.820 -0.040 0.000 2.316 1095 A HA 0.415 4.735 4.320 -0.001 0.000 0.311 1095 A C -0.062 177.435 177.584 -0.146 0.000 1.339 1095 A CA -0.828 51.141 52.037 -0.113 0.000 0.960 1095 A CB -0.317 18.626 19.000 -0.096 0.000 1.152 1095 A HN 0.572 nan 8.150 nan 0.000 0.547 1096 L N 3.543 124.625 121.223 -0.236 0.000 2.456 1096 L HA 0.107 4.447 4.340 -0.001 0.000 0.272 1096 L C 1.058 177.776 176.870 -0.252 0.000 1.189 1096 L CA -0.243 54.421 54.840 -0.293 0.000 0.846 1096 L CB 0.259 42.040 42.059 -0.463 0.000 1.111 1096 L HN 0.909 nan 8.230 nan 0.000 0.475 1097 N N 2.391 120.964 118.700 -0.211 0.000 2.434 1097 N HA 0.259 4.998 4.740 -0.001 0.000 0.266 1097 N C -2.311 173.056 175.510 -0.239 0.000 1.223 1097 N CA -1.661 51.287 53.050 -0.170 0.000 0.972 1097 N CB 0.965 39.387 38.487 -0.108 0.000 1.207 1097 N HN 0.213 nan 8.380 nan 0.000 0.525 1098 P HA -0.141 nan 4.420 nan 0.000 0.216 1098 P C 0.953 178.149 177.300 -0.173 0.000 1.153 1098 P CA 1.665 64.641 63.100 -0.206 0.000 0.858 1098 P CB 0.148 31.810 31.700 -0.063 0.000 0.789 1099 K N -0.021 120.306 120.400 -0.122 0.000 2.026 1099 K HA -0.131 4.188 4.320 -0.001 0.000 0.208 1099 K C 2.023 178.552 176.600 -0.118 0.000 1.048 1099 K CA 1.498 57.727 56.287 -0.097 0.000 0.929 1099 K CB -0.867 31.590 32.500 -0.072 0.000 0.713 1099 K HN 0.238 nan 8.250 nan 0.000 0.439 1100 E N -0.085 120.023 120.200 -0.153 0.000 2.110 1100 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 1100 E C 1.954 178.431 176.600 -0.206 0.000 0.988 1100 E CA 1.160 57.453 56.400 -0.178 0.000 0.804 1100 E CB -0.142 29.426 29.700 -0.221 0.000 0.745 1100 E HN 0.254 nan 8.360 nan 0.000 0.458 1101 I N 0.691 121.104 120.570 -0.261 0.000 2.286 1101 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 1101 I C 2.536 178.599 176.117 -0.090 0.000 1.104 1101 I CA 0.935 62.080 61.300 -0.259 0.000 1.397 1101 I CB -0.075 37.606 38.000 -0.532 0.000 1.072 1101 I HN 0.050 nan 8.210 nan 0.000 0.417 1102 E N 1.744 121.893 120.200 -0.086 0.000 2.077 1102 E HA -0.287 4.063 4.350 -0.001 0.000 0.193 1102 E C 2.071 178.683 176.600 0.019 0.000 0.989 1102 E CA 1.672 58.087 56.400 0.025 0.000 0.800 1102 E CB -0.096 29.603 29.700 -0.001 0.000 0.746 1102 E HN 0.279 nan 8.360 nan 0.000 0.452 1103 K N -0.014 120.361 120.400 -0.043 0.000 2.057 1103 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 1103 K C 2.235 178.786 176.600 -0.082 0.000 1.050 1103 K CA 1.251 57.498 56.287 -0.066 0.000 0.935 1103 K CB -0.325 32.129 32.500 -0.075 0.000 0.715 1103 K HN 0.266 nan 8.250 nan 0.000 0.439 1104 L N 0.349 121.537 121.223 -0.059 0.000 1.994 1104 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 1104 L C 2.361 179.183 176.870 -0.081 0.000 1.071 1104 L CA 1.784 56.597 54.840 -0.045 0.000 0.745 1104 L CB -0.551 41.545 42.059 0.062 0.000 0.892 1104 L HN 0.349 nan 8.230 nan 0.000 0.431 1105 Y N 1.432 121.616 120.300 -0.193 0.000 2.053 1105 Y HA -0.315 4.234 4.550 -0.001 0.000 0.277 1105 Y C 2.873 178.707 175.900 -0.110 0.000 1.159 1105 Y CA 2.380 60.262 58.100 -0.363 0.000 1.125 1105 Y CB -1.081 37.306 38.460 -0.122 0.000 0.969 1105 Y HN 0.403 nan 8.280 nan 0.000 0.492 1106 T N -1.975 112.414 114.554 -0.274 0.000 3.051 1106 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 1106 T C 2.020 176.602 174.700 -0.196 0.000 1.127 1106 T CA 1.106 63.016 62.100 -0.317 0.000 1.107 1106 T CB -0.984 67.749 68.868 -0.225 0.000 0.898 1106 T HN 0.482 nan 8.240 nan 0.000 0.517 1107 S N 0.163 115.732 115.700 -0.217 0.000 2.453 1107 S HA -0.043 4.427 4.470 -0.001 0.000 0.231 1107 S C 1.554 175.976 174.600 -0.297 0.000 1.005 1107 S CA 0.112 58.149 58.200 -0.273 0.000 0.949 1107 S CB -0.815 62.169 63.200 -0.360 0.000 0.774 1107 S HN 0.594 nan 8.310 nan 0.000 0.510 1108 Y N 1.487 121.756 120.300 -0.052 0.000 2.517 1108 Y HA 0.415 4.965 4.550 -0.001 0.000 0.281 1108 Y C 0.875 176.724 175.900 -0.086 0.000 1.125 1108 Y CA -0.251 57.835 58.100 -0.023 0.000 1.283 1108 Y CB -0.217 38.347 38.460 0.174 0.000 1.042 1108 Y HN 0.205 nan 8.280 nan 0.000 0.547 1109 L N 1.906 123.152 121.223 0.039 0.000 2.384 1109 L HA 0.122 4.462 4.340 -0.001 0.000 0.258 1109 L C 0.471 177.332 176.870 -0.016 0.000 1.266 1109 L CA -0.452 54.386 54.840 -0.004 0.000 1.162 1109 L CB -0.609 41.427 42.059 -0.038 0.000 1.375 1109 L HN 0.063 nan 8.230 nan 0.000 0.420 1110 S N 1.236 116.940 115.700 0.005 0.000 2.429 1110 S HA 0.151 4.621 4.470 -0.001 0.000 0.292 1110 S C 1.383 175.994 174.600 0.020 0.000 1.183 1110 S CA -0.779 57.442 58.200 0.035 0.000 1.088 1110 S CB 0.206 63.484 63.200 0.130 0.000 1.018 1110 S HN 0.576 nan 8.310 nan 0.000 0.511 1111 I N 0.849 121.392 120.570 -0.046 0.000 2.700 1111 I HA -0.117 4.052 4.170 -0.001 0.000 0.261 1111 I C 1.713 177.728 176.117 -0.170 0.000 1.219 1111 I CA 0.833 62.084 61.300 -0.082 0.000 1.463 1111 I CB -1.456 36.497 38.000 -0.078 0.000 1.092 1111 I HN 0.512 nan 8.210 nan 0.000 0.452 1112 T N 1.178 115.528 114.554 -0.339 0.000 2.857 1112 T HA 0.034 4.383 4.350 -0.001 0.000 0.266 1112 T C 0.478 174.761 174.700 -0.696 0.000 1.048 1112 T CA 1.017 62.734 62.100 -0.638 0.000 1.139 1112 T CB -0.379 67.852 68.868 -1.061 0.000 0.874 1112 T HN 0.203 nan 8.240 nan 0.000 0.455 1113 F N 1.437 121.359 119.950 -0.048 0.000 2.410 1113 F HA 0.480 5.007 4.527 -0.001 0.000 0.349 1113 F C 0.255 176.016 175.800 -0.064 0.000 1.117 1113 F CA -1.265 56.703 58.000 -0.053 0.000 1.104 1113 F CB 0.415 39.317 39.000 -0.163 0.000 1.122 1113 F HN -0.104 nan 8.300 nan 0.000 0.483 1114 L N 4.387 125.653 121.223 0.071 0.000 2.453 1114 L HA 0.463 4.802 4.340 -0.001 0.000 0.261 1114 L C 0.226 177.087 176.870 -0.014 0.000 1.179 1114 L CA -0.706 54.126 54.840 -0.014 0.000 0.813 1114 L CB 0.460 42.450 42.059 -0.115 0.000 1.110 1114 L HN 0.543 nan 8.230 nan 0.000 0.466 1115 R N 0.671 121.157 120.500 -0.023 0.000 2.740 1115 R HA 0.332 4.672 4.340 -0.001 0.000 0.282 1115 R C -1.044 175.260 176.300 0.006 0.000 0.969 1115 R CA -0.917 55.168 56.100 -0.025 0.000 0.918 1115 R CB 1.803 32.074 30.300 -0.049 0.000 1.175 1115 R HN 0.663 nan 8.270 nan 0.000 0.464 1116 D N 0.408 120.833 120.400 0.042 0.000 2.447 1116 D HA -0.040 4.600 4.640 -0.001 0.000 0.265 1116 D C 0.947 177.352 176.300 0.175 0.000 1.250 1116 D CA -0.542 53.536 54.000 0.131 0.000 1.046 1116 D CB 0.253 41.231 40.800 0.296 0.000 1.095 1116 D HN 0.366 nan 8.370 nan 0.000 0.555 1117 F N -0.609 119.300 119.950 -0.067 0.000 2.202 1117 F HA -0.038 4.488 4.527 -0.001 0.000 0.301 1117 F C 1.429 177.100 175.800 -0.214 0.000 1.082 1117 F CA 1.044 58.880 58.000 -0.273 0.000 1.313 1117 F CB -0.212 38.328 39.000 -0.768 0.000 1.024 1117 F HN 0.396 nan 8.300 nan 0.000 0.495 1118 W N -0.363 121.020 121.300 0.138 0.000 2.905 1118 W HA 0.297 4.957 4.660 -0.000 0.000 0.251 1118 W C 1.862 178.371 176.519 -0.018 0.000 1.305 1118 W CA 0.534 57.898 57.345 0.032 0.000 1.465 1118 W CB -0.257 29.279 29.460 0.126 0.000 1.122 1118 W HN 0.197 nan 8.180 nan 0.000 0.659 1119 G N -0.097 108.610 108.800 -0.155 0.000 2.176 1119 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.232 1119 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.232 1119 G C 0.122 174.906 174.900 -0.194 0.000 0.986 1119 G CA -0.454 44.138 45.100 -0.847 0.000 0.643 1119 G HN 0.137 nan 8.290 nan 0.000 0.522 1120 N N 1.216 119.993 118.700 0.128 0.000 2.463 1120 N HA 0.491 5.231 4.740 -0.001 0.000 0.270 1120 N C -2.698 172.840 175.510 0.047 0.000 1.205 1120 N CA -1.470 51.663 53.050 0.140 0.000 0.974 1120 N CB 0.733 39.389 38.487 0.282 0.000 1.197 1120 N HN 0.003 nan 8.380 nan 0.000 0.504 1121 P HA 0.022 nan 4.420 nan 0.000 0.264 1121 P C 0.089 177.450 177.300 0.102 0.000 1.193 1121 P CA 0.119 63.230 63.100 0.019 0.000 0.763 1121 P CB 0.581 32.274 31.700 -0.012 0.000 0.810 1122 L N 4.729 125.979 121.223 0.045 0.000 2.456 1122 L HA 0.127 4.467 4.340 -0.001 0.000 0.272 1122 L C 0.782 177.694 176.870 0.071 0.000 1.189 1122 L CA 0.319 55.149 54.840 -0.016 0.000 0.846 1122 L CB 0.225 42.132 42.059 -0.253 0.000 1.111 1122 L HN 0.379 nan 8.230 nan 0.000 0.475 1123 R N 3.306 123.927 120.500 0.203 0.000 2.803 1123 R HA 0.362 4.701 4.340 -0.001 0.000 0.276 1123 R C -1.026 175.336 176.300 0.104 0.000 0.978 1123 R CA -0.834 55.366 56.100 0.166 0.000 0.939 1123 R CB 1.369 31.814 30.300 0.241 0.000 1.179 1123 R HN 0.342 nan 8.270 nan 0.000 0.472 1124 Y N 0.916 121.313 120.300 0.162 0.000 2.281 1124 Y HA -0.015 4.534 4.550 -0.001 0.000 0.337 1124 Y C 0.823 176.798 175.900 0.126 0.000 1.304 1124 Y CA 0.629 58.813 58.100 0.141 0.000 1.465 1124 Y CB 0.518 39.023 38.460 0.075 0.000 1.350 1124 Y HN 0.648 nan 8.280 nan 0.000 0.575 1125 D N -0.391 120.184 120.400 0.291 0.000 2.811 1125 D HA -0.195 4.445 4.640 -0.001 0.000 0.231 1125 D C -0.247 176.102 176.300 0.081 0.000 1.157 1125 D CA 1.434 55.525 54.000 0.152 0.000 0.716 1125 D CB -1.452 39.414 40.800 0.110 0.000 1.077 1125 D HN 0.500 nan 8.370 nan 0.000 0.428 1126 T N -1.974 112.619 114.554 0.065 0.000 2.916 1126 T HA 0.416 4.766 4.350 -0.001 0.000 0.298 1126 T C -0.456 174.107 174.700 -0.227 0.000 1.031 1126 T CA -0.780 61.254 62.100 -0.110 0.000 0.993 1126 T CB 2.056 70.807 68.868 -0.194 0.000 1.045 1126 T HN -0.014 nan 8.240 nan 0.000 0.454 1127 E N 2.741 122.802 120.200 -0.231 0.000 2.324 1127 E HA 0.294 4.643 4.350 -0.001 0.000 0.271 1127 E C -1.150 175.247 176.600 -0.338 0.000 1.028 1127 E CA -0.036 56.247 56.400 -0.196 0.000 0.890 1127 E CB 0.492 30.080 29.700 -0.187 0.000 1.004 1127 E HN 0.550 nan 8.360 nan 0.000 0.431 1128 Y N 1.477 121.804 120.300 0.046 0.000 2.462 1128 Y HA 0.275 4.825 4.550 -0.001 0.000 0.346 1128 Y C -0.720 175.158 175.900 -0.037 0.000 0.976 1128 Y CA -0.932 57.226 58.100 0.096 0.000 1.044 1128 Y CB 1.096 39.744 38.460 0.313 0.000 1.230 1128 Y HN 0.423 nan 8.280 nan 0.000 0.455 1129 Y N 2.738 123.226 120.300 0.313 0.000 2.308 1129 Y HA 0.429 4.978 4.550 -0.001 0.000 0.329 1129 Y C -0.127 175.825 175.900 0.086 0.000 1.111 1129 Y CA -0.498 57.734 58.100 0.221 0.000 1.179 1129 Y CB 0.781 39.343 38.460 0.170 0.000 1.201 1129 Y HN 0.365 nan 8.280 nan 0.000 0.483 1130 L N 5.138 126.462 121.223 0.168 0.000 2.289 1130 L HA 0.510 4.850 4.340 -0.001 0.000 0.285 1130 L C -0.708 176.270 176.870 0.180 0.000 1.049 1130 L CA -0.370 54.420 54.840 -0.083 0.000 0.804 1130 L CB 0.849 42.574 42.059 -0.556 0.000 1.195 1130 L HN 0.563 nan 8.230 nan 0.000 0.428 1131 I N 5.183 125.917 120.570 0.274 0.000 2.499 1131 I HA 0.324 4.493 4.170 -0.001 0.000 0.288 1131 I C -2.333 173.933 176.117 0.248 0.000 1.048 1131 I CA -2.054 59.411 61.300 0.276 0.000 1.062 1131 I CB 2.477 40.602 38.000 0.208 0.000 1.238 1131 I HN 0.345 nan 8.210 nan 0.000 0.426 1132 P HA 0.063 nan 4.420 nan 0.000 0.271 1132 P C 0.873 177.989 177.300 -0.308 0.000 1.226 1132 P CA -0.050 62.706 63.100 -0.574 0.000 0.765 1132 P CB 1.573 32.875 31.700 -0.663 0.000 0.835 1133 V N 3.933 123.563 119.914 -0.473 0.000 2.407 1133 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 1133 V C 2.561 178.559 176.094 -0.159 0.000 1.055 1133 V CA 2.756 64.826 62.300 -0.383 0.000 1.049 1133 V CB -1.524 29.969 31.823 -0.550 0.000 0.662 1133 V HN 0.634 nan 8.190 nan 0.000 0.455 1134 A N -1.201 121.479 122.820 -0.232 0.000 2.121 1134 A HA -0.011 4.309 4.320 -0.001 0.000 0.218 1134 A C 1.588 179.116 177.584 -0.094 0.000 1.154 1134 A CA 1.394 53.346 52.037 -0.141 0.000 0.679 1134 A CB -0.094 18.807 19.000 -0.164 0.000 0.795 1134 A HN 0.482 nan 8.150 nan 0.000 0.458 1135 S N -0.659 114.977 115.700 -0.106 0.000 2.359 1135 S HA 0.174 4.644 4.470 -0.001 0.000 0.148 1135 S C 0.872 175.435 174.600 -0.061 0.000 1.610 1135 S CA 0.120 58.279 58.200 -0.069 0.000 1.274 1135 S CB 0.741 63.896 63.200 -0.075 0.000 1.380 1135 S HN 0.658 nan 8.310 nan 0.000 0.380 1136 S N 1.097 116.776 115.700 -0.035 0.000 2.537 1136 S HA -0.111 4.359 4.470 -0.001 0.000 0.240 1136 S C 1.773 176.195 174.600 -0.296 0.000 0.981 1136 S CA 1.148 59.286 58.200 -0.103 0.000 0.948 1136 S CB -0.385 62.816 63.200 0.002 0.000 0.759 1136 S HN 0.644 nan 8.310 nan 0.000 0.531 1137 S N 0.359 115.951 115.700 -0.180 0.000 2.603 1137 S HA 0.232 4.701 4.470 -0.001 0.000 0.220 1137 S C 0.379 174.923 174.600 -0.092 0.000 0.967 1137 S CA -0.436 57.673 58.200 -0.152 0.000 0.920 1137 S CB -0.185 62.970 63.200 -0.075 0.000 0.773 1137 S HN 0.316 nan 8.310 nan 0.000 0.529 1138 K N 2.091 122.452 120.400 -0.066 0.000 2.182 1138 K HA 0.511 4.831 4.320 -0.001 0.000 0.262 1138 K C -1.108 175.503 176.600 0.019 0.000 0.957 1138 K CA -0.479 55.803 56.287 -0.009 0.000 0.842 1138 K CB 1.253 33.764 32.500 0.017 0.000 1.099 1138 K HN 0.167 nan 8.250 nan 0.000 0.438 1139 D N 0.704 121.126 120.400 0.037 0.000 2.384 1139 D HA 0.352 4.992 4.640 -0.001 0.000 0.250 1139 D C -0.327 176.027 176.300 0.090 0.000 1.029 1139 D CA -0.634 53.406 54.000 0.066 0.000 0.990 1139 D CB 1.814 42.639 40.800 0.041 0.000 1.175 1139 D HN -0.006 nan 8.370 nan 0.000 0.532 1140 V N 1.179 121.170 119.914 0.128 0.000 2.472 1140 V HA 0.352 4.471 4.120 -0.001 0.000 0.290 1140 V C 0.034 176.109 176.094 -0.032 0.000 1.037 1140 V CA -0.426 61.931 62.300 0.095 0.000 0.908 1140 V CB 1.478 33.435 31.823 0.223 0.000 0.985 1140 V HN 0.394 nan 8.190 nan 0.000 0.454 1141 Q N 2.965 122.607 119.800 -0.263 0.000 2.433 1141 Q HA 0.686 5.025 4.340 -0.001 0.000 0.279 1141 Q C -1.573 174.131 176.000 -0.493 0.000 1.105 1141 Q CA -0.638 54.916 55.803 -0.414 0.000 0.815 1141 Q CB 2.005 30.373 28.738 -0.617 0.000 1.403 1141 Q HN 0.635 nan 8.270 nan 0.000 0.435 1142 L N 2.512 123.533 121.223 -0.336 0.000 2.296 1142 L HA 0.504 4.844 4.340 -0.001 0.000 0.286 1142 L C 0.501 177.256 176.870 -0.191 0.000 1.023 1142 L CA -0.121 54.544 54.840 -0.291 0.000 0.812 1142 L CB 1.329 43.140 42.059 -0.413 0.000 1.223 1142 L HN 0.809 nan 8.230 nan 0.000 0.421 1143 K N 3.542 123.844 120.400 -0.163 0.000 2.002 1143 K HA 0.063 4.382 4.320 -0.001 0.000 0.209 1143 K C -0.027 176.481 176.600 -0.154 0.000 1.048 1143 K CA 1.513 57.703 56.287 -0.161 0.000 0.930 1143 K CB 0.123 32.240 32.500 -0.638 0.000 0.714 1143 K HN 0.739 nan 8.250 nan 0.000 0.438 1144 N N -1.095 117.482 118.700 -0.205 0.000 3.322 1144 N HA 0.125 4.865 4.740 -0.001 0.000 0.233 1144 N C -1.397 173.978 175.510 -0.225 0.000 1.399 1144 N CA -0.598 52.345 53.050 -0.179 0.000 0.894 1144 N CB 0.839 39.269 38.487 -0.095 0.000 1.440 1144 N HN -0.121 nan 8.380 nan 0.000 0.503 1145 I N 1.873 122.295 120.570 -0.247 0.000 2.815 1145 I HA -0.073 4.097 4.170 -0.001 0.000 0.291 1145 I C 1.640 177.676 176.117 -0.134 0.000 1.209 1145 I CA 1.507 62.642 61.300 -0.275 0.000 1.431 1145 I CB -0.604 37.229 38.000 -0.278 0.000 1.351 1145 I HN 0.929 nan 8.210 nan 0.000 0.585 1146 T N 0.893 115.399 114.554 -0.079 0.000 7.058 1146 T HA -0.206 4.143 4.350 -0.001 0.000 0.289 1146 T C 0.292 175.064 174.700 0.120 0.000 2.142 1146 T CA 1.144 63.266 62.100 0.036 0.000 3.531 1146 T CB -1.354 67.504 68.868 -0.017 0.000 1.423 1146 T HN 0.600 nan 8.240 nan 0.000 1.040 1147 D N 0.621 121.046 120.400 0.042 0.000 2.567 1147 D HA 0.611 5.250 4.640 -0.001 0.000 0.275 1147 D C 0.471 176.839 176.300 0.113 0.000 1.195 1147 D CA -0.434 53.620 54.000 0.091 0.000 1.087 1147 D CB 0.726 41.528 40.800 0.003 0.000 1.165 1147 D HN 0.580 nan 8.370 nan 0.000 0.609 1148 Y N -0.764 119.587 120.300 0.086 0.000 2.334 1148 Y HA 0.588 5.138 4.550 -0.001 0.000 0.325 1148 Y C -0.070 175.924 175.900 0.157 0.000 1.308 1148 Y CA -0.881 57.292 58.100 0.122 0.000 1.389 1148 Y CB 0.430 38.977 38.460 0.145 0.000 1.328 1148 Y HN 0.079 nan 8.280 nan 0.000 0.532 1149 M N 2.286 122.106 119.600 0.366 0.000 2.578 1149 M HA 0.468 4.947 4.480 -0.001 0.000 0.321 1149 M C -1.553 175.024 176.300 0.463 0.000 1.182 1149 M CA -0.859 54.580 55.300 0.231 0.000 0.965 1149 M CB 2.105 34.797 32.600 0.154 0.000 1.694 1149 M HN 0.845 nan 8.290 nan 0.000 0.461 1150 Y N -0.768 119.665 120.300 0.222 0.000 2.638 1150 Y HA 0.739 5.288 4.550 -0.001 0.000 0.335 1150 Y C -1.793 174.218 175.900 0.185 0.000 1.155 1150 Y CA -1.573 56.676 58.100 0.249 0.000 1.046 1150 Y CB 0.850 39.493 38.460 0.306 0.000 1.303 1150 Y HN 0.522 nan 8.280 nan 0.000 0.460 1151 L N 2.527 123.930 121.223 0.299 0.000 2.395 1151 L HA 0.667 5.007 4.340 -0.001 0.000 0.269 1151 L C -0.005 176.989 176.870 0.206 0.000 1.133 1151 L CA -0.384 54.565 54.840 0.182 0.000 0.812 1151 L CB 1.431 43.587 42.059 0.162 0.000 1.125 1151 L HN 0.969 nan 8.230 nan 0.000 0.452 1152 T N -1.898 112.719 114.554 0.105 0.000 2.903 1152 T HA 0.373 4.722 4.350 -0.001 0.000 0.299 1152 T C -0.449 174.291 174.700 0.066 0.000 1.093 1152 T CA -1.093 61.075 62.100 0.113 0.000 1.002 1152 T CB 1.524 70.442 68.868 0.083 0.000 1.127 1152 T HN 0.294 nan 8.240 nan 0.000 0.488 1153 N N 1.364 120.100 118.700 0.060 0.000 2.475 1153 N HA 0.470 5.210 4.740 -0.001 0.000 0.267 1153 N C 0.169 175.692 175.510 0.021 0.000 1.169 1153 N CA -0.137 52.932 53.050 0.030 0.000 0.947 1153 N CB 1.052 39.556 38.487 0.027 0.000 1.061 1153 N HN 0.961 nan 8.380 nan 0.000 0.466 1154 A N 4.231 127.050 122.820 -0.001 0.000 2.407 1154 A HA 0.339 4.659 4.320 -0.001 0.000 0.248 1154 A C -1.721 175.870 177.584 0.012 0.000 1.082 1154 A CA -0.879 51.156 52.037 -0.004 0.000 0.785 1154 A CB -0.295 18.681 19.000 -0.041 0.000 1.020 1154 A HN 0.487 nan 8.150 nan 0.000 0.489 1155 P HA 0.234 nan 4.420 nan 0.000 0.272 1155 P C -0.262 177.070 177.300 0.053 0.000 1.230 1155 P CA -0.073 63.051 63.100 0.039 0.000 0.788 1155 P CB 1.060 32.789 31.700 0.049 0.000 0.949 1156 S N 0.487 116.216 115.700 0.048 0.000 2.599 1156 S HA 0.573 5.043 4.470 -0.001 0.000 0.294 1156 S C -1.793 172.829 174.600 0.037 0.000 1.094 1156 S CA -0.623 57.607 58.200 0.050 0.000 0.931 1156 S CB 0.782 63.992 63.200 0.018 0.000 1.093 1156 S HN 0.436 nan 8.310 nan 0.000 0.488 1157 Y N 2.346 122.532 120.300 -0.191 0.000 2.350 1157 Y HA 0.609 5.158 4.550 -0.001 0.000 0.338 1157 Y C -0.405 175.330 175.900 -0.275 0.000 0.961 1157 Y CA -0.277 57.642 58.100 -0.303 0.000 1.100 1157 Y CB 1.724 39.844 38.460 -0.567 0.000 1.179 1157 Y HN 0.799 nan 8.280 nan 0.000 0.454 1158 T N 3.140 117.152 114.554 -0.903 0.000 2.916 1158 T HA 0.419 4.769 4.350 -0.001 0.000 0.298 1158 T C -1.506 172.749 174.700 -0.743 0.000 1.031 1158 T CA -0.956 60.785 62.100 -0.599 0.000 0.993 1158 T CB 1.581 70.268 68.868 -0.301 0.000 1.045 1158 T HN 0.651 nan 8.240 nan 0.000 0.454 1159 N N 1.188 119.644 118.700 -0.406 0.000 2.648 1159 N HA 0.310 5.050 4.740 -0.001 0.000 0.261 1159 N C 1.242 176.705 175.510 -0.079 0.000 1.138 1159 N CA -0.164 52.748 53.050 -0.230 0.000 0.804 1159 N CB 1.460 39.896 38.487 -0.085 0.000 1.237 1159 N HN 0.947 nan 8.380 nan 0.000 0.532 1160 G N 2.391 111.140 108.800 -0.085 0.000 2.440 1160 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 1160 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 1160 G C 1.321 176.211 174.900 -0.016 0.000 1.154 1160 G CA 0.892 45.965 45.100 -0.045 0.000 0.767 1160 G HN 0.596 nan 8.290 nan 0.000 0.552 1161 K N 0.070 120.461 120.400 -0.014 0.000 2.044 1161 K HA -0.013 4.306 4.320 -0.001 0.000 0.210 1161 K C 2.246 178.856 176.600 0.016 0.000 1.049 1161 K CA 1.240 57.528 56.287 0.001 0.000 0.927 1161 K CB -0.282 32.221 32.500 0.004 0.000 0.713 1161 K HN 0.370 nan 8.250 nan 0.000 0.443 1162 L N 0.285 121.526 121.223 0.030 0.000 2.567 1162 L HA 0.072 4.412 4.340 -0.001 0.000 0.225 1162 L C 0.539 177.441 176.870 0.054 0.000 1.119 1162 L CA 0.081 54.949 54.840 0.046 0.000 0.871 1162 L CB -0.429 41.672 42.059 0.071 0.000 1.036 1162 L HN 0.437 nan 8.230 nan 0.000 0.459 1163 N N 1.694 120.428 118.700 0.057 0.000 2.746 1163 N HA -0.183 4.556 4.740 -0.001 0.000 0.250 1163 N C -0.543 175.041 175.510 0.124 0.000 1.055 1163 N CA 0.166 53.268 53.050 0.086 0.000 0.699 1163 N CB -0.634 37.893 38.487 0.065 0.000 0.919 1163 N HN 0.510 nan 8.380 nan 0.000 0.548 1164 I N -1.422 119.236 120.570 0.146 0.000 2.730 1164 I HA 0.805 4.974 4.170 -0.001 0.000 0.298 1164 I C -0.778 175.481 176.117 0.237 0.000 1.089 1164 I CA -0.954 60.447 61.300 0.169 0.000 1.041 1164 I CB 1.955 40.069 38.000 0.190 0.000 1.235 1164 I HN 0.108 nan 8.210 nan 0.000 0.423 1165 Y N 3.121 123.499 120.300 0.130 0.000 2.641 1165 Y HA 0.810 5.360 4.550 -0.001 0.000 0.333 1165 Y C -1.923 174.119 175.900 0.237 0.000 1.174 1165 Y CA -1.449 56.661 58.100 0.017 0.000 1.057 1165 Y CB 1.037 39.475 38.460 -0.037 0.000 1.322 1165 Y HN 0.837 nan 8.280 nan 0.000 0.457 1166 Y N -0.744 119.765 120.300 0.348 0.000 2.638 1166 Y HA 0.625 5.174 4.550 -0.001 0.000 0.334 1166 Y C -1.109 174.982 175.900 0.319 0.000 1.182 1166 Y CA -2.078 56.213 58.100 0.319 0.000 1.102 1166 Y CB 0.719 39.423 38.460 0.408 0.000 1.343 1166 Y HN 0.857 nan 8.280 nan 0.000 0.463 1167 R N 1.123 121.866 120.500 0.405 0.000 2.590 1167 R HA 0.442 4.781 4.340 -0.001 0.000 0.274 1167 R C -0.805 175.725 176.300 0.384 0.000 1.061 1167 R CA -0.500 55.725 56.100 0.208 0.000 1.081 1167 R CB 0.471 30.745 30.300 -0.043 0.000 0.984 1167 R HN 0.742 nan 8.270 nan 0.000 0.448 1168 R N 2.286 122.946 120.500 0.267 0.000 2.539 1168 R HA 0.247 4.587 4.340 -0.001 0.000 0.275 1168 R C -0.045 176.292 176.300 0.060 0.000 1.077 1168 R CA -0.409 55.878 56.100 0.313 0.000 1.097 1168 R CB 0.455 30.878 30.300 0.206 0.000 1.018 1168 R HN 0.467 nan 8.270 nan 0.000 0.483 1169 L N 2.175 123.337 121.223 -0.103 0.000 2.416 1169 L HA 0.280 4.620 4.340 -0.001 0.000 0.263 1169 L C -0.192 176.327 176.870 -0.584 0.000 1.065 1169 L CA -0.772 53.697 54.840 -0.618 0.000 0.798 1169 L CB 0.372 41.607 42.059 -1.374 0.000 1.267 1169 L HN 0.695 nan 8.230 nan 0.000 0.467 1170 Y N -1.250 118.738 120.300 -0.521 0.000 4.366 1170 Y HA -0.237 4.313 4.550 -0.001 0.000 0.236 1170 Y C 0.048 175.443 175.900 -0.841 0.000 1.142 1170 Y CA -0.218 57.234 58.100 -1.079 0.000 2.024 1170 Y CB -2.743 35.446 38.460 -0.452 0.000 1.621 1170 Y HN 0.577 nan 8.280 nan 0.000 0.694 1171 N N 0.348 118.824 118.700 -0.374 0.000 2.459 1171 N HA 0.693 5.432 4.740 -0.001 0.000 0.288 1171 N C 0.833 176.368 175.510 0.043 0.000 1.186 1171 N CA 0.547 53.546 53.050 -0.085 0.000 0.917 1171 N CB 2.157 40.632 38.487 -0.020 0.000 1.219 1171 N HN 0.517 nan 8.380 nan 0.000 0.525 1172 G N -0.196 108.694 108.800 0.149 0.000 2.512 1172 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.210 1172 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.210 1172 G C -0.935 174.118 174.900 0.256 0.000 1.295 1172 G CA -0.807 44.402 45.100 0.182 0.000 0.934 1172 G HN 0.418 nan 8.290 nan 0.000 0.554 1173 L N 0.622 121.947 121.223 0.171 0.000 2.397 1173 L HA 0.410 4.750 4.340 -0.001 0.000 0.271 1173 L C 0.810 177.635 176.870 -0.075 0.000 1.148 1173 L CA -0.264 54.562 54.840 -0.022 0.000 0.825 1173 L CB 0.850 42.707 42.059 -0.336 0.000 1.117 1173 L HN 0.439 nan 8.230 nan 0.000 0.456 1174 K N 3.252 123.516 120.400 -0.227 0.000 2.234 1174 K HA 0.473 4.793 4.320 -0.001 0.000 0.277 1174 K C -1.132 175.304 176.600 -0.274 0.000 1.038 1174 K CA -0.338 55.758 56.287 -0.319 0.000 0.888 1174 K CB 1.159 33.479 32.500 -0.299 0.000 1.091 1174 K HN 0.190 nan 8.250 nan 0.000 0.467 1175 F N 2.551 122.470 119.950 -0.051 0.000 2.470 1175 F HA 0.530 5.057 4.527 -0.001 0.000 0.329 1175 F C 0.336 176.233 175.800 0.162 0.000 1.072 1175 F CA -0.888 57.151 58.000 0.065 0.000 0.989 1175 F CB 1.141 40.158 39.000 0.030 0.000 1.193 1175 F HN 0.210 nan 8.300 nan 0.000 0.481 1176 I N 2.934 123.755 120.570 0.419 0.000 2.582 1176 I HA 0.381 4.551 4.170 -0.001 0.000 0.292 1176 I C -0.954 175.428 176.117 0.442 0.000 1.066 1176 I CA -0.574 60.945 61.300 0.364 0.000 1.053 1176 I CB 2.239 40.364 38.000 0.208 0.000 1.241 1176 I HN 0.348 nan 8.210 nan 0.000 0.421 1177 I N 5.997 126.816 120.570 0.416 0.000 2.315 1177 I HA 0.343 4.513 4.170 -0.001 0.000 0.291 1177 I C -0.125 176.267 176.117 0.460 0.000 1.006 1177 I CA -0.472 61.057 61.300 0.381 0.000 1.265 1177 I CB 0.683 38.796 38.000 0.188 0.000 1.387 1177 I HN 0.415 nan 8.210 nan 0.000 0.475 1178 K N 6.154 126.850 120.400 0.494 0.000 2.267 1178 K HA 0.587 4.907 4.320 -0.001 0.000 0.246 1178 K C -0.641 176.192 176.600 0.389 0.000 0.954 1178 K CA -1.075 55.461 56.287 0.414 0.000 0.824 1178 K CB 2.172 34.865 32.500 0.323 0.000 1.167 1178 K HN 0.468 nan 8.250 nan 0.000 0.431 1179 R N 1.105 121.646 120.500 0.070 0.000 2.491 1179 R HA 0.006 4.345 4.340 -0.001 0.000 0.283 1179 R C 0.803 177.190 176.300 0.145 0.000 1.072 1179 R CA -0.036 56.041 56.100 -0.038 0.000 1.048 1179 R CB 0.126 30.217 30.300 -0.348 0.000 0.983 1179 R HN 0.622 nan 8.270 nan 0.000 0.450 1180 Y N 1.684 122.059 120.300 0.126 0.000 2.220 1180 Y HA -0.115 4.435 4.550 -0.001 0.000 0.291 1180 Y C 0.879 176.816 175.900 0.061 0.000 1.129 1180 Y CA 1.506 59.683 58.100 0.129 0.000 1.161 1180 Y CB 0.534 39.105 38.460 0.186 0.000 0.997 1180 Y HN 0.688 nan 8.280 nan 0.000 0.522 1181 T N -2.573 112.047 114.554 0.110 0.000 2.887 1181 T HA 0.534 4.884 4.350 -0.001 0.000 0.292 1181 T C -2.659 172.032 174.700 -0.016 0.000 1.087 1181 T CA -2.119 59.980 62.100 -0.003 0.000 1.009 1181 T CB 1.613 70.509 68.868 0.047 0.000 1.203 1181 T HN -0.248 nan 8.240 nan 0.000 0.518 1182 P HA 0.253 nan 4.420 nan 0.000 0.272 1182 P C -0.237 177.052 177.300 -0.018 0.000 1.243 1182 P CA -0.194 62.877 63.100 -0.047 0.000 0.803 1182 P CB 0.415 32.090 31.700 -0.042 0.000 0.974 1183 N N -0.251 118.435 118.700 -0.023 0.000 2.961 1183 N HA 0.124 4.863 4.740 -0.001 0.000 0.155 1183 N C 0.468 175.977 175.510 -0.001 0.000 1.557 1183 N CA -0.054 52.997 53.050 0.001 0.000 1.162 1183 N CB -0.034 38.454 38.487 0.001 0.000 1.038 1183 N HN 0.338 nan 8.380 nan 0.000 0.489 1184 N N -1.415 117.283 118.700 -0.003 0.000 2.218 1184 N HA 0.217 4.957 4.740 -0.001 0.000 0.224 1184 N C -1.200 174.304 175.510 -0.009 0.000 1.248 1184 N CA 0.012 53.060 53.050 -0.002 0.000 0.875 1184 N CB 1.691 40.183 38.487 0.008 0.000 1.165 1184 N HN 0.398 nan 8.380 nan 0.000 0.485 1185 E N 0.370 120.560 120.200 -0.017 0.000 2.372 1185 E HA 0.278 4.627 4.350 -0.001 0.000 0.279 1185 E C -1.652 174.913 176.600 -0.060 0.000 0.946 1185 E CA -0.685 55.699 56.400 -0.027 0.000 0.769 1185 E CB 1.535 31.231 29.700 -0.007 0.000 1.230 1185 E HN -0.078 nan 8.360 nan 0.000 0.442 1186 I N 3.954 124.482 120.570 -0.069 0.000 2.278 1186 I HA 0.142 4.312 4.170 -0.001 0.000 0.296 1186 I C -0.535 175.505 176.117 -0.129 0.000 1.121 1186 I CA -0.046 61.189 61.300 -0.108 0.000 1.267 1186 I CB 0.159 38.103 38.000 -0.093 0.000 1.447 1186 I HN 0.344 nan 8.210 nan 0.000 0.509 1187 D N 3.378 123.645 120.400 -0.222 0.000 2.255 1187 D HA 0.170 4.810 4.640 -0.001 0.000 0.249 1187 D C 1.169 177.298 176.300 -0.284 0.000 1.078 1187 D CA 0.038 53.789 54.000 -0.415 0.000 0.896 1187 D CB 1.601 41.819 40.800 -0.970 0.000 1.194 1187 D HN 0.495 nan 8.370 nan 0.000 0.429 1188 S N 1.313 116.928 115.700 -0.141 0.000 2.496 1188 S HA -0.019 4.450 4.470 -0.001 0.000 0.224 1188 S C 0.771 175.490 174.600 0.198 0.000 0.996 1188 S CA -0.096 58.162 58.200 0.097 0.000 0.927 1188 S CB -0.378 62.904 63.200 0.137 0.000 0.774 1188 S HN 0.437 nan 8.310 nan 0.000 0.524 1189 F N 1.225 121.294 119.950 0.200 0.000 2.371 1189 F HA 0.773 5.299 4.527 -0.001 0.000 0.329 1189 F C -0.342 175.532 175.800 0.123 0.000 1.107 1189 F CA -1.771 56.303 58.000 0.122 0.000 1.137 1189 F CB 0.454 39.507 39.000 0.088 0.000 1.214 1189 F HN -0.216 nan 8.300 nan 0.000 0.536 1190 V N 2.746 122.710 119.914 0.084 0.000 2.465 1190 V HA 0.306 4.425 4.120 -0.001 0.000 0.279 1190 V C 0.055 176.234 176.094 0.142 0.000 1.045 1190 V CA -1.027 61.205 62.300 -0.113 0.000 0.938 1190 V CB 0.981 32.517 31.823 -0.478 0.000 0.986 1190 V HN 0.728 nan 8.190 nan 0.000 0.467 1191 K N 2.309 122.800 120.400 0.152 0.000 2.118 1191 K HA 0.506 4.826 4.320 -0.001 0.000 0.254 1191 K C 0.098 176.671 176.600 -0.045 0.000 0.961 1191 K CA -0.498 55.844 56.287 0.091 0.000 0.876 1191 K CB 1.785 34.346 32.500 0.103 0.000 1.077 1191 K HN 0.752 nan 8.250 nan 0.000 0.440 1192 S N -0.012 115.622 115.700 -0.109 0.000 2.549 1192 S HA 0.290 4.760 4.470 -0.001 0.000 0.286 1192 S C 1.121 175.644 174.600 -0.129 0.000 1.314 1192 S CA 0.153 58.282 58.200 -0.118 0.000 1.062 1192 S CB 0.601 63.730 63.200 -0.117 0.000 0.865 1192 S HN 0.972 nan 8.310 nan 0.000 0.498 1193 G N 1.682 110.382 108.800 -0.166 0.000 2.213 1193 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.226 1193 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.226 1193 G C -0.407 174.268 174.900 -0.375 0.000 0.992 1193 G CA -0.131 44.825 45.100 -0.240 0.000 0.632 1193 G HN 0.710 nan 8.290 nan 0.000 0.511 1194 D N 0.594 120.862 120.400 -0.220 0.000 2.424 1194 D HA 0.495 5.135 4.640 -0.001 0.000 0.244 1194 D C 0.293 176.438 176.300 -0.259 0.000 1.134 1194 D CA 0.178 54.105 54.000 -0.122 0.000 0.881 1194 D CB 0.293 41.149 40.800 0.094 0.000 1.191 1194 D HN 0.098 nan 8.370 nan 0.000 0.445 1195 F N 1.998 122.008 119.950 0.100 0.000 2.410 1195 F HA 0.375 4.902 4.527 -0.001 0.000 0.348 1195 F C 0.851 176.771 175.800 0.201 0.000 1.106 1195 F CA -0.671 57.367 58.000 0.065 0.000 1.163 1195 F CB 0.464 39.427 39.000 -0.063 0.000 1.129 1195 F HN 0.180 nan 8.300 nan 0.000 0.516 1196 I N -0.657 120.126 120.570 0.356 0.000 3.264 1196 I HA 0.661 4.831 4.170 -0.001 0.000 0.315 1196 I C -1.518 174.846 176.117 0.410 0.000 1.154 1196 I CA -1.219 60.322 61.300 0.402 0.000 0.962 1196 I CB 2.505 40.693 38.000 0.314 0.000 1.265 1196 I HN 0.307 nan 8.210 nan 0.000 0.463 1197 K N 2.098 122.748 120.400 0.416 0.000 2.376 1197 K HA 0.603 4.923 4.320 -0.001 0.000 0.257 1197 K C -1.649 175.125 176.600 0.289 0.000 0.939 1197 K CA -0.724 55.763 56.287 0.332 0.000 0.809 1197 K CB 2.468 35.185 32.500 0.362 0.000 1.121 1197 K HN 0.515 nan 8.250 nan 0.000 0.425 1198 L N 3.901 125.208 121.223 0.139 0.000 2.282 1198 L HA 0.438 4.777 4.340 -0.001 0.000 0.288 1198 L C -1.572 175.352 176.870 0.091 0.000 1.033 1198 L CA -0.178 54.790 54.840 0.212 0.000 0.807 1198 L CB 0.390 42.560 42.059 0.185 0.000 1.209 1198 L HN 0.459 nan 8.230 nan 0.000 0.423 1199 Y N 3.417 123.873 120.300 0.260 0.000 2.524 1199 Y HA 0.641 5.191 4.550 -0.001 0.000 0.344 1199 Y C -0.196 175.790 175.900 0.143 0.000 1.012 1199 Y CA -0.789 57.425 58.100 0.190 0.000 1.068 1199 Y CB 2.086 40.624 38.460 0.130 0.000 1.249 1199 Y HN 0.442 nan 8.280 nan 0.000 0.468 1200 V N 0.792 120.813 119.914 0.179 0.000 2.483 1200 V HA 0.634 4.754 4.120 -0.001 0.000 0.295 1200 V C -0.495 175.652 176.094 0.088 0.000 1.035 1200 V CA -0.395 61.846 62.300 -0.098 0.000 0.896 1200 V CB 1.582 33.158 31.823 -0.413 0.000 0.986 1200 V HN 0.738 nan 8.190 nan 0.000 0.447 1201 S N 5.845 121.559 115.700 0.023 0.000 2.404 1201 S HA 0.520 4.990 4.470 -0.001 0.000 0.309 1201 S C -1.108 173.584 174.600 0.153 0.000 1.076 1201 S CA -0.366 57.878 58.200 0.073 0.000 1.095 1201 S CB -0.199 63.003 63.200 0.003 0.000 0.972 1201 S HN 0.918 nan 8.310 nan 0.000 0.484 1202 Y N 5.366 125.716 120.300 0.083 0.000 2.327 1202 Y HA 0.343 4.893 4.550 -0.001 0.000 0.325 1202 Y C 0.207 176.168 175.900 0.102 0.000 0.999 1202 Y CA -0.423 57.726 58.100 0.082 0.000 1.195 1202 Y CB 0.710 39.224 38.460 0.090 0.000 1.132 1202 Y HN 0.836 nan 8.280 nan 0.000 0.455 1203 N N 4.168 122.728 118.700 -0.232 0.000 2.818 1203 N HA -0.301 4.439 4.740 -0.001 0.000 0.250 1203 N C 0.091 175.573 175.510 -0.046 0.000 1.108 1203 N CA 1.344 54.293 53.050 -0.168 0.000 0.745 1203 N CB -1.402 37.009 38.487 -0.128 0.000 1.104 1203 N HN 0.937 nan 8.380 nan 0.000 0.557 1204 N N -1.894 116.787 118.700 -0.031 0.000 2.909 1204 N HA -0.195 4.545 4.740 -0.001 0.000 0.242 1204 N C -1.152 174.344 175.510 -0.024 0.000 0.975 1204 N CA 0.916 53.951 53.050 -0.025 0.000 0.921 1204 N CB -0.647 37.822 38.487 -0.030 0.000 1.112 1204 N HN 0.422 nan 8.380 nan 0.000 0.581 1205 N N 1.396 120.095 118.700 -0.001 0.000 2.417 1205 N HA 0.282 5.022 4.740 -0.001 0.000 0.300 1205 N C -0.591 174.801 175.510 -0.196 0.000 1.102 1205 N CA 0.018 53.014 53.050 -0.090 0.000 0.886 1205 N CB 1.097 39.559 38.487 -0.041 0.000 1.203 1205 N HN 0.160 nan 8.380 nan 0.000 0.496 1206 E N 0.698 120.719 120.200 -0.298 0.000 2.179 1206 E HA 0.338 4.687 4.350 -0.001 0.000 0.275 1206 E C -0.975 175.448 176.600 -0.294 0.000 0.945 1206 E CA -0.491 55.800 56.400 -0.181 0.000 0.792 1206 E CB 1.161 30.780 29.700 -0.135 0.000 1.125 1206 E HN 0.467 nan 8.360 nan 0.000 0.397 1207 H N 1.248 120.476 119.070 0.263 0.000 2.658 1207 H HA 0.311 4.867 4.556 -0.001 0.000 0.337 1207 H C -0.624 174.799 175.328 0.158 0.000 1.009 1207 H CA -0.685 55.483 56.048 0.201 0.000 1.231 1207 H CB 1.374 31.186 29.762 0.083 0.000 1.508 1207 H HN 0.419 nan 8.280 nan 0.000 0.517 1208 I N 3.222 123.861 120.570 0.114 0.000 2.696 1208 I HA 0.086 4.256 4.170 -0.001 0.000 0.284 1208 I C -0.471 175.615 176.117 -0.052 0.000 1.129 1208 I CA -0.211 60.924 61.300 -0.274 0.000 1.410 1208 I CB 0.398 38.183 38.000 -0.358 0.000 1.399 1208 I HN 0.319 nan 8.210 nan 0.000 0.579 1209 V N 7.044 126.924 119.914 -0.057 0.000 2.481 1209 V HA 0.841 4.961 4.120 -0.001 0.000 0.286 1209 V C 0.522 176.653 176.094 0.061 0.000 1.042 1209 V CA 0.185 62.518 62.300 0.054 0.000 0.928 1209 V CB 0.675 32.569 31.823 0.118 0.000 0.986 1209 V HN 1.012 nan 8.190 nan 0.000 0.462 1210 G N 2.952 111.807 108.800 0.091 0.000 2.489 1210 G HA2 0.466 4.425 3.960 -0.001 0.000 0.305 1210 G HA3 0.466 4.425 3.960 -0.001 0.000 0.305 1210 G C -2.342 172.644 174.900 0.144 0.000 1.311 1210 G CA -0.524 44.651 45.100 0.124 0.000 0.813 1210 G HN 0.538 nan 8.290 nan 0.000 0.480 1211 Y N 1.625 121.929 120.300 0.007 0.000 2.361 1211 Y HA 0.676 5.226 4.550 -0.001 0.000 0.337 1211 Y C -2.443 173.330 175.900 -0.212 0.000 0.965 1211 Y CA -2.719 55.344 58.100 -0.062 0.000 1.091 1211 Y CB 2.677 41.173 38.460 0.060 0.000 1.182 1211 Y HN 0.396 nan 8.280 nan 0.000 0.450 1212 P HA 0.112 nan 4.420 nan 0.000 0.275 1212 P C -1.080 175.551 177.300 -1.115 0.000 1.227 1212 P CA -0.390 62.090 63.100 -1.033 0.000 0.781 1212 P CB 0.934 31.868 31.700 -1.278 0.000 0.906 1213 K N 2.843 122.761 120.400 -0.804 0.000 2.453 1213 K HA -0.085 4.234 4.320 -0.001 0.000 0.280 1213 K C -0.022 176.406 176.600 -0.286 0.000 1.045 1213 K CA 0.545 56.568 56.287 -0.441 0.000 1.059 1213 K CB -0.471 31.879 32.500 -0.250 0.000 0.901 1213 K HN 0.430 nan 8.250 nan 0.000 0.475 1214 D N 1.271 121.597 120.400 -0.123 0.000 3.077 1214 D HA -0.137 4.503 4.640 -0.001 0.000 0.212 1214 D C 0.358 176.591 176.300 -0.112 0.000 1.125 1214 D CA 1.368 55.341 54.000 -0.045 0.000 0.970 1214 D CB -1.503 39.278 40.800 -0.031 0.000 1.110 1214 D HN 0.779 nan 8.370 nan 0.000 0.419 1215 G N 0.556 109.139 108.800 -0.361 0.000 2.664 1215 G HA2 0.126 4.085 3.960 -0.001 0.000 0.242 1215 G HA3 0.126 4.085 3.960 -0.001 0.000 0.242 1215 G C 0.228 175.153 174.900 0.041 0.000 1.225 1215 G CA -0.043 44.879 45.100 -0.297 0.000 0.849 1215 G HN 0.324 nan 8.290 nan 0.000 0.581 1216 N N -0.061 118.635 118.700 -0.006 0.000 2.357 1216 N HA 0.323 5.063 4.740 -0.001 0.000 0.257 1216 N C -0.001 175.493 175.510 -0.027 0.000 1.250 1216 N CA 0.304 53.324 53.050 -0.050 0.000 0.862 1216 N CB 0.175 38.591 38.487 -0.117 0.000 1.066 1216 N HN 0.682 nan 8.380 nan 0.000 0.468 1217 A N 3.250 125.984 122.820 -0.143 0.000 2.572 1217 A HA 0.506 4.826 4.320 -0.001 0.000 0.295 1217 A C -1.211 176.177 177.584 -0.326 0.000 1.072 1217 A CA -0.680 51.240 52.037 -0.196 0.000 0.691 1217 A CB 0.648 19.608 19.000 -0.067 0.000 1.291 1217 A HN 0.578 nan 8.150 nan 0.000 0.404 1218 F N 1.377 121.215 119.950 -0.186 0.000 2.459 1218 F HA 0.193 4.720 4.527 -0.001 0.000 0.346 1218 F C 1.909 177.595 175.800 -0.190 0.000 1.128 1218 F CA 0.839 58.688 58.000 -0.253 0.000 1.268 1218 F CB 0.650 39.312 39.000 -0.563 0.000 1.161 1218 F HN 0.950 nan 8.300 nan 0.000 0.583 1219 N N 2.577 121.301 118.700 0.039 0.000 2.212 1219 N HA -0.390 4.350 4.740 -0.001 0.000 0.181 1219 N C 1.293 176.800 175.510 -0.006 0.000 0.861 1219 N CA 2.534 55.589 53.050 0.010 0.000 0.898 1219 N CB -0.507 37.992 38.487 0.019 0.000 1.038 1219 N HN 0.684 nan 8.380 nan 0.000 0.875 1220 N N 1.201 119.887 118.700 -0.024 0.000 2.627 1220 N HA -0.093 4.647 4.740 -0.001 0.000 0.196 1220 N C 0.150 175.649 175.510 -0.017 0.000 1.268 1220 N CA 0.807 53.843 53.050 -0.023 0.000 0.904 1220 N CB -0.506 37.948 38.487 -0.054 0.000 1.016 1220 N HN 0.659 nan 8.380 nan 0.000 0.448 1221 L N -1.637 119.572 121.223 -0.023 0.000 4.236 1221 L HA -0.171 4.169 4.340 -0.001 0.000 0.399 1221 L C -1.356 175.481 176.870 -0.056 0.000 1.146 1221 L CA 0.344 55.165 54.840 -0.031 0.000 0.947 1221 L CB -1.782 40.272 42.059 -0.008 0.000 2.149 1221 L HN 0.135 nan 8.230 nan 0.000 0.705 1222 D N 2.244 122.614 120.400 -0.050 0.000 2.352 1222 D HA 0.213 4.852 4.640 -0.001 0.000 0.245 1222 D C 0.715 176.984 176.300 -0.051 0.000 1.224 1222 D CA -0.151 53.831 54.000 -0.030 0.000 0.879 1222 D CB 0.622 41.399 40.800 -0.038 0.000 1.057 1222 D HN 0.018 nan 8.370 nan 0.000 0.491 1223 R N 2.661 123.046 120.500 -0.192 0.000 2.370 1223 R HA 0.245 4.585 4.340 -0.001 0.000 0.309 1223 R C 0.341 176.551 176.300 -0.150 0.000 1.059 1223 R CA -0.349 55.473 56.100 -0.463 0.000 0.981 1223 R CB 0.011 29.679 30.300 -1.053 0.000 0.972 1223 R HN 0.434 nan 8.270 nan 0.000 0.437 1224 I N 4.782 125.353 120.570 0.001 0.000 2.452 1224 I HA 0.018 4.188 4.170 -0.001 0.000 0.287 1224 I C 0.865 177.101 176.117 0.197 0.000 1.079 1224 I CA -0.015 61.348 61.300 0.106 0.000 1.387 1224 I CB 0.329 38.330 38.000 0.003 0.000 1.404 1224 I HN 0.232 nan 8.210 nan 0.000 0.522 1225 L N 7.240 128.577 121.223 0.189 0.000 2.452 1225 L HA 0.341 4.680 4.340 -0.001 0.000 0.267 1225 L C 0.324 177.302 176.870 0.180 0.000 1.188 1225 L CA -0.370 54.583 54.840 0.188 0.000 0.821 1225 L CB 0.154 42.307 42.059 0.157 0.000 1.102 1225 L HN 0.539 nan 8.230 nan 0.000 0.470 1226 R N 1.575 122.153 120.500 0.131 0.000 2.750 1226 R HA 0.586 4.926 4.340 -0.001 0.000 0.281 1226 R C -1.266 175.098 176.300 0.106 0.000 0.972 1226 R CA -0.842 55.329 56.100 0.119 0.000 0.912 1226 R CB 2.153 32.491 30.300 0.063 0.000 1.187 1226 R HN 0.271 nan 8.270 nan 0.000 0.464 1227 V N 1.013 120.973 119.914 0.077 0.000 2.384 1227 V HA 0.407 4.527 4.120 -0.001 0.000 0.287 1227 V C 1.035 177.147 176.094 0.030 0.000 1.020 1227 V CA 0.040 62.362 62.300 0.035 0.000 0.850 1227 V CB 1.279 33.063 31.823 -0.065 0.000 0.987 1227 V HN 1.026 nan 8.190 nan 0.000 0.436 1228 G N 3.950 112.821 108.800 0.117 0.000 2.176 1228 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.252 1228 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.252 1228 G C -0.076 174.903 174.900 0.131 0.000 1.024 1228 G CA 0.370 45.566 45.100 0.159 0.000 0.755 1228 G HN 0.936 nan 8.290 nan 0.000 0.507 1229 Y N 1.496 121.805 120.300 0.015 0.000 2.511 1229 Y HA 0.382 4.932 4.550 -0.001 0.000 0.332 1229 Y C 1.033 176.932 175.900 -0.002 0.000 1.177 1229 Y CA 0.615 58.712 58.100 -0.006 0.000 1.422 1229 Y CB 0.719 39.165 38.460 -0.023 0.000 1.271 1229 Y HN 0.322 nan 8.280 nan 0.000 0.550 1230 N N 3.411 121.867 118.700 -0.407 0.000 2.381 1230 N HA 0.162 4.902 4.740 -0.001 0.000 0.257 1230 N C -1.122 174.199 175.510 -0.315 0.000 1.409 1230 N CA -0.038 52.878 53.050 -0.224 0.000 0.836 1230 N CB -0.346 38.086 38.487 -0.092 0.000 1.384 1230 N HN 0.575 nan 8.380 nan 0.000 0.490 1231 A N 1.998 124.453 122.820 -0.609 0.000 2.524 1231 A HA 0.371 4.691 4.320 -0.001 0.000 0.250 1231 A C -1.907 175.595 177.584 -0.136 0.000 1.078 1231 A CA -0.607 51.220 52.037 -0.351 0.000 0.761 1231 A CB -0.341 18.435 19.000 -0.373 0.000 1.012 1231 A HN 0.290 nan 8.150 nan 0.000 0.500 1232 P HA 0.186 nan 4.420 nan 0.000 0.264 1232 P C 1.030 178.317 177.300 -0.023 0.000 1.193 1232 P CA 1.390 64.463 63.100 -0.044 0.000 0.763 1232 P CB 0.714 32.391 31.700 -0.039 0.000 0.810 1233 G N 2.796 111.590 108.800 -0.010 0.000 2.234 1233 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.260 1233 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.260 1233 G C 0.116 175.015 174.900 -0.000 0.000 0.987 1233 G CA 0.022 45.120 45.100 -0.002 0.000 0.625 1233 G HN 0.546 nan 8.290 nan 0.000 0.532 1234 I N 2.601 123.176 120.570 0.009 0.000 2.315 1234 I HA 0.356 4.526 4.170 -0.001 0.000 0.291 1234 I C -1.912 174.184 176.117 -0.034 0.000 1.006 1234 I CA -2.258 59.042 61.300 0.001 0.000 1.265 1234 I CB 1.309 39.345 38.000 0.060 0.000 1.387 1234 I HN -0.138 nan 8.210 nan 0.000 0.475 1235 P HA 0.086 nan 4.420 nan 0.000 0.265 1235 P C -0.874 176.193 177.300 -0.388 0.000 1.193 1235 P CA -0.266 62.718 63.100 -0.192 0.000 0.765 1235 P CB 0.582 32.177 31.700 -0.175 0.000 0.823 1236 L N 4.957 126.032 121.223 -0.247 0.000 2.319 1236 L HA 0.398 4.738 4.340 -0.001 0.000 0.281 1236 L C -1.329 175.473 176.870 -0.113 0.000 1.005 1236 L CA -0.728 53.972 54.840 -0.233 0.000 0.828 1236 L CB 0.319 42.370 42.059 -0.015 0.000 1.227 1236 L HN 0.186 nan 8.230 nan 0.000 0.415 1237 Y N 5.069 125.398 120.300 0.048 0.000 2.404 1237 Y HA 0.415 4.965 4.550 -0.001 0.000 0.344 1237 Y C 0.539 176.515 175.900 0.127 0.000 0.995 1237 Y CA -0.780 57.387 58.100 0.112 0.000 1.201 1237 Y CB 0.684 39.240 38.460 0.160 0.000 1.151 1237 Y HN 0.612 nan 8.280 nan 0.000 0.517 1238 K N 0.159 120.738 120.400 0.297 0.000 2.553 1238 K HA 0.156 4.476 4.320 -0.001 0.000 0.205 1238 K C -0.230 176.508 176.600 0.230 0.000 1.168 1238 K CA -0.436 55.983 56.287 0.219 0.000 1.043 1238 K CB 0.342 32.929 32.500 0.145 0.000 0.967 1238 K HN 0.276 nan 8.250 nan 0.000 0.585 1239 K N 1.978 122.499 120.400 0.202 0.000 2.349 1239 K HA 0.258 4.578 4.320 -0.001 0.000 0.289 1239 K C -0.670 176.027 176.600 0.161 0.000 1.064 1239 K CA 0.044 56.318 56.287 -0.021 0.000 0.947 1239 K CB 0.329 32.589 32.500 -0.401 0.000 1.007 1239 K HN 0.173 nan 8.250 nan 0.000 0.478 1240 M N 2.677 122.392 119.600 0.191 0.000 2.716 1240 M HA 0.304 4.784 4.480 -0.001 0.000 0.307 1240 M C -0.800 175.672 176.300 0.286 0.000 1.223 1240 M CA -0.830 54.629 55.300 0.265 0.000 0.871 1240 M CB 2.209 34.913 32.600 0.173 0.000 1.739 1240 M HN 0.580 nan 8.290 nan 0.000 0.475 1241 E N 0.882 121.220 120.200 0.229 0.000 2.199 1241 E HA 0.615 4.965 4.350 -0.001 0.000 0.265 1241 E C -1.568 175.013 176.600 -0.032 0.000 0.882 1241 E CA -0.592 55.799 56.400 -0.014 0.000 0.759 1241 E CB 1.855 31.545 29.700 -0.018 0.000 1.148 1241 E HN 0.767 nan 8.360 nan 0.000 0.412 1242 A N 3.991 126.755 122.820 -0.094 0.000 2.269 1242 A HA 0.529 4.849 4.320 -0.001 0.000 0.302 1242 A C -0.253 177.267 177.584 -0.107 0.000 1.266 1242 A CA -0.420 51.557 52.037 -0.099 0.000 0.894 1242 A CB 0.212 19.124 19.000 -0.148 0.000 1.147 1242 A HN 0.455 nan 8.150 nan 0.000 0.537 1243 V N -0.182 119.689 119.914 -0.071 0.000 3.130 1243 V HA 0.913 5.032 4.120 -0.001 0.000 0.310 1243 V C -0.750 175.317 176.094 -0.045 0.000 1.158 1243 V CA -1.142 61.124 62.300 -0.057 0.000 1.029 1243 V CB 2.104 33.917 31.823 -0.017 0.000 1.057 1243 V HN 0.727 nan 8.190 nan 0.000 0.436 1244 K N 1.835 122.210 120.400 -0.042 0.000 2.575 1244 K HA 0.636 4.956 4.320 -0.001 0.000 0.236 1244 K C -0.710 175.875 176.600 -0.024 0.000 0.976 1244 K CA -0.396 55.871 56.287 -0.032 0.000 0.985 1244 K CB 0.945 33.423 32.500 -0.037 0.000 1.198 1244 K HN 0.621 nan 8.250 nan 0.000 0.464 1245 L N 2.930 124.143 121.223 -0.017 0.000 2.590 1245 L HA 0.377 4.717 4.340 -0.001 0.000 0.227 1245 L C 0.163 177.025 176.870 -0.014 0.000 1.099 1245 L CA 0.666 55.504 54.840 -0.003 0.000 0.872 1245 L CB -0.499 41.570 42.059 0.017 0.000 1.088 1245 L HN 0.704 nan 8.230 nan 0.000 0.479 1246 R N -3.112 117.373 120.500 -0.026 0.000 2.747 1246 R HA 0.338 4.677 4.340 -0.001 0.000 0.272 1246 R C -1.073 175.209 176.300 -0.030 0.000 1.032 1246 R CA -0.919 55.164 56.100 -0.029 0.000 0.896 1246 R CB 0.342 30.620 30.300 -0.036 0.000 1.253 1246 R HN -0.206 nan 8.270 nan 0.000 0.461 1247 D N 0.318 120.701 120.400 -0.027 0.000 2.927 1247 D HA -0.143 4.496 4.640 -0.001 0.000 0.236 1247 D C 0.410 176.700 176.300 -0.017 0.000 1.163 1247 D CA 0.614 54.599 54.000 -0.023 0.000 0.801 1247 D CB -0.086 40.693 40.800 -0.035 0.000 0.975 1247 D HN 0.606 nan 8.370 nan 0.000 0.413 1248 L N 2.014 123.224 121.223 -0.021 0.000 2.043 1248 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 1248 L C 2.112 178.973 176.870 -0.015 0.000 1.075 1248 L CA 2.081 56.908 54.840 -0.022 0.000 0.752 1248 L CB -0.176 41.853 42.059 -0.049 0.000 0.891 1248 L HN 0.284 nan 8.230 nan 0.000 0.432 1249 K N -1.142 119.241 120.400 -0.029 0.000 2.439 1249 K HA 0.030 4.349 4.320 -0.001 0.000 0.197 1249 K C 0.293 176.843 176.600 -0.083 0.000 1.041 1249 K CA 0.648 56.923 56.287 -0.020 0.000 0.970 1249 K CB -0.269 32.264 32.500 0.055 0.000 0.773 1249 K HN 0.364 nan 8.250 nan 0.000 0.479 1250 T N 0.553 115.065 114.554 -0.071 0.000 2.907 1250 T HA 0.203 4.553 4.350 -0.001 0.000 0.284 1250 T C -0.441 174.253 174.700 -0.010 0.000 1.004 1250 T CA -0.566 61.465 62.100 -0.116 0.000 1.063 1250 T CB 0.621 69.484 68.868 -0.008 0.000 0.992 1250 T HN -0.029 nan 8.240 nan 0.000 0.483 1251 Y N 2.644 123.055 120.300 0.186 0.000 2.667 1251 Y HA 0.399 4.949 4.550 -0.001 0.000 0.340 1251 Y C 1.212 177.255 175.900 0.239 0.000 1.303 1251 Y CA -1.127 57.076 58.100 0.172 0.000 1.769 1251 Y CB -1.066 37.474 38.460 0.134 0.000 1.804 1251 Y HN 0.618 nan 8.280 nan 0.000 0.451 1252 S N -0.673 115.169 115.700 0.236 0.000 2.667 1252 S HA 0.945 5.415 4.470 -0.001 0.000 0.292 1252 S C -0.943 173.714 174.600 0.095 0.000 1.126 1252 S CA -0.820 57.459 58.200 0.132 0.000 0.881 1252 S CB 2.241 65.377 63.200 -0.107 0.000 1.132 1252 S HN 0.017 nan 8.310 nan 0.000 0.492 1253 V N 0.824 120.813 119.914 0.124 0.000 3.078 1253 V HA 0.599 4.719 4.120 -0.001 0.000 0.311 1253 V C -1.211 174.960 176.094 0.129 0.000 1.138 1253 V CA -0.818 61.526 62.300 0.073 0.000 1.007 1253 V CB 2.191 34.001 31.823 -0.022 0.000 1.045 1253 V HN 0.955 nan 8.190 nan 0.000 0.432 1254 Q N 1.624 121.460 119.800 0.061 0.000 2.301 1254 Q HA 0.795 5.135 4.340 -0.001 0.000 0.267 1254 Q C -1.386 174.646 176.000 0.054 0.000 1.035 1254 Q CA -0.344 55.500 55.803 0.067 0.000 0.856 1254 Q CB 2.371 31.090 28.738 -0.032 0.000 1.337 1254 Q HN 0.579 nan 8.270 nan 0.000 0.450 1255 L N 1.270 122.528 121.223 0.058 0.000 2.376 1255 L HA 0.535 4.874 4.340 -0.001 0.000 0.275 1255 L C -0.689 176.198 176.870 0.028 0.000 0.987 1255 L CA -0.674 54.186 54.840 0.032 0.000 0.828 1255 L CB 1.762 43.825 42.059 0.007 0.000 1.249 1255 L HN 0.398 nan 8.230 nan 0.000 0.409 1256 K N 3.689 124.118 120.400 0.048 0.000 2.235 1256 K HA 0.529 4.848 4.320 -0.001 0.000 0.266 1256 K C -1.266 175.339 176.600 0.009 0.000 0.980 1256 K CA -0.722 55.579 56.287 0.023 0.000 0.849 1256 K CB 1.688 34.220 32.500 0.052 0.000 1.098 1256 K HN 0.388 nan 8.250 nan 0.000 0.445 1257 L N 4.890 126.089 121.223 -0.039 0.000 2.325 1257 L HA 0.438 4.778 4.340 -0.001 0.000 0.279 1257 L C -1.655 175.149 176.870 -0.109 0.000 1.054 1257 L CA -0.147 54.710 54.840 0.029 0.000 0.804 1257 L CB 0.690 42.794 42.059 0.076 0.000 1.200 1257 L HN 0.570 nan 8.230 nan 0.000 0.436 1258 Y N 1.463 121.803 120.300 0.067 0.000 2.562 1258 Y HA 0.480 5.030 4.550 -0.001 0.000 0.343 1258 Y C -0.084 175.766 175.900 -0.084 0.000 1.025 1258 Y CA -0.939 57.159 58.100 -0.002 0.000 1.082 1258 Y CB 1.288 39.733 38.460 -0.025 0.000 1.264 1258 Y HN 0.753 nan 8.280 nan 0.000 0.478 1259 D N -1.058 119.295 120.400 -0.079 0.000 2.478 1259 D HA 0.049 4.689 4.640 -0.001 0.000 0.274 1259 D C 0.557 176.660 176.300 -0.327 0.000 1.234 1259 D CA -0.353 53.266 54.000 -0.636 0.000 1.069 1259 D CB 0.287 40.536 40.800 -0.917 0.000 1.113 1259 D HN 0.579 nan 8.370 nan 0.000 0.571 1260 D N -1.173 119.005 120.400 -0.370 0.000 2.312 1260 D HA -0.146 4.494 4.640 -0.001 0.000 0.211 1260 D C 0.450 176.724 176.300 -0.044 0.000 0.964 1260 D CA 0.809 54.796 54.000 -0.022 0.000 0.877 1260 D CB -0.324 40.575 40.800 0.166 0.000 0.924 1260 D HN 0.361 nan 8.370 nan 0.000 0.515 1261 K N 0.217 120.567 120.400 -0.083 0.000 2.493 1261 K HA 0.203 4.523 4.320 -0.001 0.000 0.207 1261 K C -0.093 176.480 176.600 -0.045 0.000 1.033 1261 K CA -0.425 55.833 56.287 -0.048 0.000 1.161 1261 K CB -0.224 32.256 32.500 -0.032 0.000 0.873 1261 K HN -0.189 nan 8.250 nan 0.000 0.491 1262 N N -0.106 118.564 118.700 -0.050 0.000 2.747 1262 N HA -0.194 4.546 4.740 -0.001 0.000 0.249 1262 N C -0.792 174.830 175.510 0.187 0.000 1.107 1262 N CA 1.104 54.140 53.050 -0.022 0.000 0.707 1262 N CB -1.571 36.816 38.487 -0.167 0.000 1.054 1262 N HN 0.494 nan 8.380 nan 0.000 0.555 1263 A N -0.131 122.773 122.820 0.141 0.000 2.310 1263 A HA 0.586 4.905 4.320 -0.001 0.000 0.299 1263 A C 0.639 178.267 177.584 0.073 0.000 1.147 1263 A CA -0.148 51.947 52.037 0.097 0.000 0.818 1263 A CB 1.057 20.059 19.000 0.004 0.000 1.096 1263 A HN 0.224 nan 8.150 nan 0.000 0.495 1264 S N 1.484 117.156 115.700 -0.046 0.000 2.488 1264 S HA 0.236 4.706 4.470 -0.001 0.000 0.278 1264 S C 0.815 175.356 174.600 -0.098 0.000 1.259 1264 S CA -0.431 57.636 58.200 -0.222 0.000 1.061 1264 S CB -0.313 62.760 63.200 -0.212 0.000 0.910 1264 S HN 0.561 nan 8.310 nan 0.000 0.491 1265 L N 4.884 126.045 121.223 -0.103 0.000 2.529 1265 L HA 0.356 4.696 4.340 -0.001 0.000 0.223 1265 L C 1.320 178.195 176.870 0.007 0.000 1.113 1265 L CA 0.424 55.240 54.840 -0.040 0.000 0.861 1265 L CB -0.637 41.407 42.059 -0.025 0.000 1.012 1265 L HN 0.967 nan 8.230 nan 0.000 0.461 1266 G N -0.100 108.734 108.800 0.057 0.000 2.371 1266 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.663 1266 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.663 1266 G C -1.127 173.825 174.900 0.085 0.000 1.311 1266 G CA -1.028 44.170 45.100 0.163 0.000 0.985 1266 G HN -0.094 nan 8.290 nan 0.000 0.566 1267 L N 0.147 121.383 121.223 0.020 0.000 2.350 1267 L HA 0.506 4.845 4.340 -0.001 0.000 0.275 1267 L C 1.070 177.985 176.870 0.075 0.000 1.099 1267 L CA -1.089 53.721 54.840 -0.049 0.000 0.808 1267 L CB 1.454 43.347 42.059 -0.277 0.000 1.149 1267 L HN 0.448 nan 8.230 nan 0.000 0.442 1268 V N 2.597 122.551 119.914 0.067 0.000 2.529 1268 V HA 0.376 4.495 4.120 -0.001 0.000 0.292 1268 V C 0.796 177.062 176.094 0.287 0.000 1.028 1268 V CA 0.701 63.089 62.300 0.146 0.000 1.074 1268 V CB 0.430 32.263 31.823 0.017 0.000 0.958 1268 V HN 1.028 nan 8.190 nan 0.000 0.481 1269 G N 3.938 112.948 108.800 0.349 0.000 2.793 1269 G HA2 0.763 4.723 3.960 -0.001 0.000 0.248 1269 G HA3 0.763 4.723 3.960 -0.001 0.000 0.248 1269 G C -0.564 174.574 174.900 0.397 0.000 1.198 1269 G CA 0.233 45.535 45.100 0.336 0.000 0.865 1269 G HN 0.811 nan 8.290 nan 0.000 0.534 1270 T N -2.856 111.879 114.554 0.302 0.000 2.903 1270 T HA 0.690 5.040 4.350 -0.001 0.000 0.299 1270 T C -1.455 173.317 174.700 0.119 0.000 1.093 1270 T CA -0.642 61.589 62.100 0.218 0.000 1.002 1270 T CB 2.277 71.238 68.868 0.155 0.000 1.127 1270 T HN 0.785 nan 8.240 nan 0.000 0.488 1271 H N 1.987 121.023 119.070 -0.057 0.000 2.667 1271 H HA 0.387 4.943 4.556 -0.001 0.000 0.353 1271 H C -1.083 174.031 175.328 -0.356 0.000 1.072 1271 H CA -0.535 55.333 56.048 -0.300 0.000 1.214 1271 H CB 2.006 31.462 29.762 -0.509 0.000 1.600 1271 H HN 0.785 nan 8.280 nan 0.000 0.527 1272 N N 2.782 120.978 118.700 -0.839 0.000 2.472 1272 N HA 0.368 5.108 4.740 -0.001 0.000 0.277 1272 N C -0.279 174.957 175.510 -0.456 0.000 1.081 1272 N CA 0.573 53.333 53.050 -0.483 0.000 0.973 1272 N CB 1.219 39.469 38.487 -0.395 0.000 1.105 1272 N HN 0.921 nan 8.380 nan 0.000 0.470 1273 G N 1.901 110.598 108.800 -0.170 0.000 2.335 1273 G HA2 0.214 4.174 3.960 -0.001 0.000 0.291 1273 G HA3 0.214 4.174 3.960 -0.001 0.000 0.291 1273 G C -2.070 172.893 174.900 0.105 0.000 1.261 1273 G CA -0.447 44.650 45.100 -0.006 0.000 0.871 1273 G HN 0.508 nan 8.290 nan 0.000 0.491 1274 Q N -0.856 119.056 119.800 0.186 0.000 2.397 1274 Q HA 0.778 5.117 4.340 -0.001 0.000 0.275 1274 Q C -0.809 175.216 176.000 0.042 0.000 1.090 1274 Q CA -0.392 55.462 55.803 0.085 0.000 0.809 1274 Q CB 2.642 31.412 28.738 0.052 0.000 1.362 1274 Q HN 0.557 nan 8.270 nan 0.000 0.431 1275 I N 1.847 122.384 120.570 -0.055 0.000 2.411 1275 I HA 0.610 4.780 4.170 -0.001 0.000 0.284 1275 I C 0.830 176.937 176.117 -0.017 0.000 1.012 1275 I CA -0.206 61.024 61.300 -0.116 0.000 1.119 1275 I CB 1.137 38.954 38.000 -0.305 0.000 1.261 1275 I HN 0.780 nan 8.210 nan 0.000 0.448 1276 G N 5.882 114.672 108.800 -0.016 0.000 2.574 1276 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.286 1276 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.286 1276 G C 0.485 175.393 174.900 0.014 0.000 1.212 1276 G CA 0.310 45.414 45.100 0.007 0.000 0.979 1276 G HN 0.684 nan 8.290 nan 0.000 0.557 1277 N N 1.837 120.550 118.700 0.021 0.000 2.276 1277 N HA 0.110 4.850 4.740 -0.001 0.000 0.212 1277 N C -0.441 175.081 175.510 0.020 0.000 1.127 1277 N CA -0.008 53.053 53.050 0.018 0.000 0.834 1277 N CB 0.110 38.606 38.487 0.015 0.000 1.014 1277 N HN 0.412 nan 8.380 nan 0.000 0.491 1278 D N 1.898 122.317 120.400 0.031 0.000 2.357 1278 D HA 0.170 4.809 4.640 -0.001 0.000 0.242 1278 D C -1.944 174.362 176.300 0.009 0.000 1.153 1278 D CA -1.080 52.938 54.000 0.030 0.000 0.918 1278 D CB 0.411 41.260 40.800 0.082 0.000 1.181 1278 D HN 0.077 nan 8.370 nan 0.000 0.435 1279 P HA -0.003 nan 4.420 nan 0.000 0.270 1279 P C 0.097 177.387 177.300 -0.017 0.000 1.223 1279 P CA -0.403 62.687 63.100 -0.017 0.000 0.785 1279 P CB 0.435 32.118 31.700 -0.028 0.000 0.923 1280 N N 2.248 120.942 118.700 -0.010 0.000 2.454 1280 N HA 0.007 4.747 4.740 -0.001 0.000 0.260 1280 N C -0.370 175.136 175.510 -0.006 0.000 1.218 1280 N CA 0.416 53.462 53.050 -0.008 0.000 0.904 1280 N CB 0.260 38.737 38.487 -0.015 0.000 1.065 1280 N HN 0.329 nan 8.380 nan 0.000 0.462 1281 R N 1.307 121.813 120.500 0.010 0.000 2.774 1281 R HA 0.251 4.591 4.340 -0.001 0.000 0.272 1281 R C -1.426 174.916 176.300 0.071 0.000 1.000 1281 R CA -0.789 55.344 56.100 0.055 0.000 0.906 1281 R CB 1.395 31.730 30.300 0.058 0.000 1.227 1281 R HN 0.528 nan 8.270 nan 0.000 0.468 1282 D N 2.541 123.015 120.400 0.123 0.000 2.441 1282 D HA 0.237 4.876 4.640 -0.001 0.000 0.221 1282 D C -0.248 176.186 176.300 0.224 0.000 1.156 1282 D CA 0.131 54.189 54.000 0.097 0.000 0.896 1282 D CB 0.750 41.592 40.800 0.070 0.000 1.028 1282 D HN 0.253 nan 8.370 nan 0.000 0.509 1283 I N 2.392 123.094 120.570 0.221 0.000 2.396 1283 I HA 0.130 4.299 4.170 -0.001 0.000 0.292 1283 I C 0.737 177.042 176.117 0.314 0.000 0.999 1283 I CA -0.765 60.731 61.300 0.326 0.000 1.310 1283 I CB 1.413 39.571 38.000 0.262 0.000 1.404 1283 I HN 0.060 nan 8.210 nan 0.000 0.496 1284 L N 6.928 128.354 121.223 0.338 0.000 2.462 1284 L HA 0.267 4.606 4.340 -0.001 0.000 0.272 1284 L C -0.132 176.892 176.870 0.257 0.000 1.166 1284 L CA 0.115 55.131 54.840 0.293 0.000 0.880 1284 L CB -0.055 42.143 42.059 0.231 0.000 1.142 1284 L HN 0.542 nan 8.230 nan 0.000 0.473 1285 I N 0.715 121.432 120.570 0.246 0.000 3.343 1285 I HA 0.913 5.082 4.170 -0.001 0.000 0.315 1285 I C -0.566 175.652 176.117 0.169 0.000 1.153 1285 I CA -0.919 60.498 61.300 0.195 0.000 0.952 1285 I CB 1.990 40.119 38.000 0.215 0.000 1.287 1285 I HN 0.444 nan 8.210 nan 0.000 0.472 1286 A N 1.087 123.965 122.820 0.096 0.000 2.343 1286 A HA 0.874 5.194 4.320 -0.001 0.000 0.316 1286 A C -0.638 177.000 177.584 0.091 0.000 1.104 1286 A CA -0.374 51.720 52.037 0.095 0.000 0.768 1286 A CB 1.089 20.106 19.000 0.028 0.000 1.213 1286 A HN 0.944 nan 8.150 nan 0.000 0.456 1287 S N 1.431 117.242 115.700 0.185 0.000 2.546 1287 S HA 0.343 4.812 4.470 -0.001 0.000 0.272 1287 S C -0.132 174.592 174.600 0.206 0.000 1.140 1287 S CA -0.714 57.576 58.200 0.151 0.000 0.920 1287 S CB 0.990 64.243 63.200 0.088 0.000 1.083 1287 S HN 0.624 nan 8.310 nan 0.000 0.476 1288 N N 2.227 121.051 118.700 0.208 0.000 2.461 1288 N HA -0.009 4.731 4.740 -0.001 0.000 0.188 1288 N C 1.094 176.783 175.510 0.299 0.000 1.134 1288 N CA 0.264 53.522 53.050 0.346 0.000 0.878 1288 N CB -0.151 38.517 38.487 0.301 0.000 0.972 1288 N HN 0.832 nan 8.380 nan 0.000 0.456 1289 W N 1.450 122.736 121.300 -0.022 0.000 2.325 1289 W HA -0.229 4.431 4.660 -0.001 0.000 0.299 1289 W C 1.272 177.775 176.519 -0.028 0.000 1.215 1289 W CA 1.362 58.660 57.345 -0.079 0.000 1.244 1289 W CB -0.426 28.874 29.460 -0.268 0.000 1.140 1289 W HN 0.031 nan 8.180 nan 0.000 0.523 1290 Y N -0.877 119.504 120.300 0.136 0.000 2.315 1290 Y HA -0.202 4.348 4.550 -0.001 0.000 0.288 1290 Y C 2.070 177.819 175.900 -0.252 0.000 1.154 1290 Y CA 1.609 59.630 58.100 -0.131 0.000 1.229 1290 Y CB -1.446 36.927 38.460 -0.145 0.000 0.980 1290 Y HN -0.109 nan 8.280 nan 0.000 0.540 1291 F N -0.275 119.705 119.950 0.050 0.000 2.269 1291 F HA -0.189 4.338 4.527 -0.001 0.000 0.301 1291 F C 2.028 177.737 175.800 -0.153 0.000 1.082 1291 F CA 1.279 59.258 58.000 -0.035 0.000 1.360 1291 F CB -0.600 38.385 39.000 -0.025 0.000 1.041 1291 F HN 0.075 nan 8.300 nan 0.000 0.512 1292 N N -1.144 117.475 118.700 -0.135 0.000 2.398 1292 N HA -0.059 4.680 4.740 -0.001 0.000 0.188 1292 N C 0.184 175.231 175.510 -0.772 0.000 1.122 1292 N CA 0.598 53.402 53.050 -0.411 0.000 0.866 1292 N CB -0.299 37.887 38.487 -0.501 0.000 0.970 1292 N HN 0.239 nan 8.380 nan 0.000 0.462 1293 H N -1.174 117.682 119.070 -0.357 0.000 2.575 1293 H HA 0.320 4.875 4.556 -0.001 0.000 0.256 1293 H C 0.966 176.194 175.328 -0.167 0.000 1.162 1293 H CA -0.156 55.694 56.048 -0.329 0.000 0.969 1293 H CB 0.358 29.763 29.762 -0.596 0.000 1.796 1293 H HN 0.039 nan 8.280 nan 0.000 0.607 1294 L N 0.047 121.233 121.223 -0.062 0.000 2.456 1294 L HA -0.090 4.250 4.340 -0.001 0.000 0.224 1294 L C 1.642 178.496 176.870 -0.026 0.000 1.148 1294 L CA 1.275 56.098 54.840 -0.028 0.000 0.825 1294 L CB -0.050 42.002 42.059 -0.011 0.000 0.937 1294 L HN 0.213 nan 8.230 nan 0.000 0.450 1295 K N -0.650 119.729 120.400 -0.034 0.000 2.426 1295 K HA 0.035 4.355 4.320 -0.001 0.000 0.193 1295 K C -0.079 176.517 176.600 -0.006 0.000 1.028 1295 K CA -0.196 56.077 56.287 -0.024 0.000 1.047 1295 K CB 0.162 32.642 32.500 -0.033 0.000 0.821 1295 K HN 0.195 nan 8.250 nan 0.000 0.513 1296 D N 1.336 121.743 120.400 0.011 0.000 2.423 1296 D HA -0.046 4.593 4.640 -0.001 0.000 0.238 1296 D C 0.921 177.231 176.300 0.017 0.000 1.142 1296 D CA 0.372 54.390 54.000 0.030 0.000 0.884 1296 D CB 1.024 41.861 40.800 0.061 0.000 1.199 1296 D HN -0.168 nan 8.370 nan 0.000 0.438 1297 K N 0.804 121.216 120.400 0.020 0.000 2.026 1297 K HA -0.037 4.282 4.320 -0.001 0.000 0.208 1297 K C 0.387 176.990 176.600 0.006 0.000 1.048 1297 K CA 1.057 57.352 56.287 0.014 0.000 0.929 1297 K CB 0.215 32.727 32.500 0.021 0.000 0.713 1297 K HN 0.373 nan 8.250 nan 0.000 0.439 1298 I N 1.162 121.737 120.570 0.009 0.000 2.509 1298 I HA 0.352 4.521 4.170 -0.001 0.000 0.293 1298 I C -1.049 175.068 176.117 0.001 0.000 1.020 1298 I CA -1.080 60.215 61.300 -0.009 0.000 1.088 1298 I CB 1.368 39.366 38.000 -0.004 0.000 1.267 1298 I HN -0.022 nan 8.210 nan 0.000 0.430 1299 L N 3.528 124.728 121.223 -0.038 0.000 2.445 1299 L HA 0.656 4.996 4.340 -0.001 0.000 0.262 1299 L C 0.822 177.631 176.870 -0.102 0.000 0.974 1299 L CA -0.010 54.836 54.840 0.010 0.000 0.822 1299 L CB 2.233 44.305 42.059 0.022 0.000 1.339 1299 L HN 0.692 nan 8.230 nan 0.000 0.409 1300 G N 1.286 110.084 108.800 -0.004 0.000 2.776 1300 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.209 1300 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.209 1300 G C 0.831 175.406 174.900 -0.542 0.000 1.145 1300 G CA 0.743 45.743 45.100 -0.167 0.000 0.791 1300 G HN 0.880 nan 8.290 nan 0.000 0.530 1301 C N -0.979 117.844 119.300 -0.796 0.000 2.855 1301 C HA 0.353 4.812 4.460 -0.001 0.000 0.279 1301 C C -0.299 174.366 174.990 -0.542 0.000 1.270 1301 C CA -1.523 56.989 59.018 -0.844 0.000 1.702 1301 C CB -0.489 26.560 27.740 -1.153 0.000 1.949 1301 C HN 0.090 nan 8.230 nan 0.000 0.618 1302 D N 0.772 120.801 120.400 -0.618 0.000 2.249 1302 D HA 0.435 5.075 4.640 -0.001 0.000 0.246 1302 D C -0.910 174.978 176.300 -0.685 0.000 1.114 1302 D CA 0.450 54.173 54.000 -0.462 0.000 0.854 1302 D CB 0.666 41.251 40.800 -0.358 0.000 1.132 1302 D HN 0.603 nan 8.370 nan 0.000 0.461 1303 W N 1.694 122.896 121.300 -0.163 0.000 2.819 1303 W HA 0.364 5.023 4.660 -0.001 0.000 0.337 1303 W C -0.639 175.871 176.519 -0.015 0.000 1.077 1303 W CA -0.974 56.291 57.345 -0.133 0.000 1.226 1303 W CB 0.964 30.357 29.460 -0.110 0.000 1.419 1303 W HN 0.203 nan 8.180 nan 0.000 0.502 1304 Y N 1.901 122.381 120.300 0.300 0.000 2.320 1304 Y HA 0.434 4.984 4.550 -0.000 0.000 0.334 1304 Y C -0.345 175.672 175.900 0.196 0.000 1.055 1304 Y CA -1.098 57.181 58.100 0.297 0.000 1.143 1304 Y CB 0.550 39.171 38.460 0.268 0.000 1.193 1304 Y HN 0.123 nan 8.280 nan 0.000 0.477 1305 F N 2.605 122.668 119.950 0.189 0.000 2.332 1305 F HA 0.453 4.980 4.527 -0.001 0.000 0.368 1305 F C -0.470 175.428 175.800 0.164 0.000 1.110 1305 F CA -1.075 56.932 58.000 0.012 0.000 1.087 1305 F CB 0.895 39.613 39.000 -0.470 0.000 1.235 1305 F HN 0.061 nan 8.300 nan 0.000 0.470 1306 V N 6.315 126.444 119.914 0.359 0.000 2.313 1306 V HA 0.379 4.499 4.120 -0.001 0.000 0.278 1306 V C -2.212 174.213 176.094 0.551 0.000 1.017 1306 V CA -1.820 60.624 62.300 0.240 0.000 0.823 1306 V CB 1.052 32.800 31.823 -0.125 0.000 1.010 1306 V HN 0.431 nan 8.190 nan 0.000 0.443 1307 P HA 0.280 nan 4.420 nan 0.000 0.286 1307 P C 0.027 177.674 177.300 0.578 0.000 1.261 1307 P CA -0.189 63.177 63.100 0.444 0.000 0.821 1307 P CB 1.169 33.079 31.700 0.350 0.000 1.013 1308 T N -0.683 114.023 114.554 0.253 0.000 2.940 1308 T HA 0.249 4.598 4.350 -0.001 0.000 0.309 1308 T C -0.383 174.403 174.700 0.143 0.000 1.056 1308 T CA -0.052 61.993 62.100 -0.091 0.000 1.137 1308 T CB -0.056 68.595 68.868 -0.362 0.000 0.976 1308 T HN 0.469 nan 8.240 nan 0.000 0.547 1309 D N 0.347 120.866 120.400 0.198 0.000 2.857 1309 D HA 0.223 4.862 4.640 -0.001 0.000 0.227 1309 D C 1.037 177.376 176.300 0.065 0.000 1.192 1309 D CA -0.750 53.291 54.000 0.069 0.000 0.857 1309 D CB 1.635 42.318 40.800 -0.195 0.000 1.645 1309 D HN 0.722 nan 8.370 nan 0.000 0.482 1310 E N 1.446 121.665 120.200 0.031 0.000 2.338 1310 E HA -0.060 4.290 4.350 -0.001 0.000 0.197 1310 E C 1.456 178.129 176.600 0.121 0.000 1.007 1310 E CA 0.730 57.180 56.400 0.084 0.000 0.849 1310 E CB -0.061 29.687 29.700 0.081 0.000 0.774 1310 E HN 0.443 nan 8.360 nan 0.000 0.506 1311 G N 0.510 109.346 108.800 0.060 0.000 2.744 1311 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.211 1311 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.211 1311 G C -0.350 174.549 174.900 -0.003 0.000 1.143 1311 G CA -0.162 44.942 45.100 0.008 0.000 0.788 1311 G HN 0.320 nan 8.290 nan 0.000 0.534 1312 W N 1.488 122.718 121.300 -0.118 0.000 2.728 1312 W HA 0.554 5.214 4.660 -0.000 0.000 0.324 1312 W C -1.510 175.098 176.519 0.147 0.000 1.012 1312 W CA -0.793 56.543 57.345 -0.015 0.000 1.279 1312 W CB 1.247 30.744 29.460 0.062 0.000 1.289 1312 W HN -0.201 nan 8.180 nan 0.000 0.418 1313 T N 5.431 120.045 114.554 0.100 0.000 2.824 1313 T HA 0.255 4.605 4.350 -0.001 0.000 0.282 1313 T C -0.008 174.696 174.700 0.006 0.000 0.993 1313 T CA -0.514 61.700 62.100 0.190 0.000 0.967 1313 T CB 1.195 70.106 68.868 0.071 0.000 0.960 1313 T HN 0.187 nan 8.240 nan 0.000 0.441 1314 N N 3.421 122.240 118.700 0.199 0.000 2.497 1314 N HA 0.111 4.851 4.740 -0.001 0.000 0.268 1314 N C 0.126 175.613 175.510 -0.039 0.000 1.171 1314 N CA -0.004 53.145 53.050 0.165 0.000 0.948 1314 N CB 0.617 39.273 38.487 0.281 0.000 1.069 1314 N HN 0.581 nan 8.380 nan 0.000 0.460 1315 D N 0.000 120.245 120.400 -0.258 0.000 6.856 1315 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 1315 D CA 0.000 53.733 54.000 -0.444 0.000 0.868 1315 D CB 0.000 40.198 40.800 -1.004 0.000 0.688 1315 D HN 0.000 nan 8.370 nan 0.000 0.683