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 2vua_1_A DATA FIRST_RESID 873 DATA SEQUENCE HMDTSILNLR YESNHLIDLS RYASKINIGS KVNFDPIDKN QIQLFNLESS DATA SEQUENCE KIEVILKNAI VYNSMYENFS TSFWIRIPKY FNSISLNNEY TIINCMENNS DATA SEQUENCE GWKVSLNYGE IIWTLQDTQE IKQRVVFKYS QMINISDYIN RWIFVTITNN DATA SEQUENCE RLNNSKIYIN GRLIDQKPIS NLGNIHASNN IMFKLDGCRD THRYIWIKYF DATA SEQUENCE NLFDKELNEK EIKDLYDNQS NSGILKDFWG DYLQYDKPYY MLNLYDPNKY DATA SEQUENCE VDVNNVGIRG YMYLKGPRGS VMTTNIYLNS SLYRGTKFII KKYASGNKDN DATA SEQUENCE IVRNNDRVYI NVVVKNKEYR LATNASQAGV EKILSALEIP DVGNLSQVVV DATA SEQUENCE MKSKNDXXIT NKCKMNLQDN NGNDIGFIGF HQFNNIAKLV ASNWYNRQIE DATA SEQUENCE RSSRTLGCSW EFIPVDDGWG ERPLQ 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 873 H HA 0.000 nan 4.556 nan 0.000 0.296 873 H C 0.000 175.346 175.328 0.030 0.000 0.993 873 H CA 0.000 56.061 56.048 0.022 0.000 1.023 873 H CB 0.000 29.773 29.762 0.017 0.000 1.292 874 M N 2.508 122.185 119.600 0.127 0.000 2.386 874 M HA 0.254 4.689 4.480 -0.075 0.000 0.293 874 M C -1.533 174.826 176.300 0.098 0.000 1.120 874 M CA -1.111 54.253 55.300 0.108 0.000 0.909 874 M CB 1.852 34.514 32.600 0.103 0.000 1.661 874 M HN 0.697 nan 8.290 nan 0.000 0.452 875 D N 2.583 123.041 120.400 0.098 0.000 2.342 875 D HA 0.076 4.671 4.640 -0.075 0.000 0.260 875 D C 0.863 177.248 176.300 0.142 0.000 1.278 875 D CA -0.091 53.973 54.000 0.108 0.000 0.910 875 D CB 0.310 41.163 40.800 0.088 0.000 1.079 875 D HN 0.684 nan 8.370 nan 0.000 0.496 876 T N -1.155 113.505 114.554 0.178 0.000 2.985 876 T HA 0.123 4.428 4.350 -0.075 0.000 0.254 876 T C 0.789 175.645 174.700 0.261 0.000 1.021 876 T CA -0.422 61.817 62.100 0.231 0.000 0.957 876 T CB 0.034 69.048 68.868 0.243 0.000 1.047 876 T HN 0.214 nan 8.240 nan 0.000 0.511 877 S N 1.822 117.623 115.700 0.167 0.000 2.455 877 S HA 0.396 4.821 4.470 -0.075 0.000 0.278 877 S C 1.140 175.748 174.600 0.013 0.000 1.216 877 S CA -0.809 57.309 58.200 -0.137 0.000 1.055 877 S CB -0.225 62.842 63.200 -0.222 0.000 0.939 877 S HN 0.542 nan 8.310 nan 0.000 0.494 878 I N 2.826 123.392 120.570 -0.006 0.000 3.956 878 I HA 0.496 4.621 4.170 -0.075 0.000 0.333 878 I C -0.383 175.795 176.117 0.102 0.000 1.302 878 I CA -0.179 61.179 61.300 0.096 0.000 1.122 878 I CB 0.265 38.245 38.000 -0.033 0.000 1.013 878 I HN 0.411 nan 8.210 nan 0.000 0.405 879 L N 1.721 122.980 121.223 0.059 0.000 2.588 879 L HA 0.564 4.859 4.340 -0.075 0.000 0.263 879 L C -1.892 175.030 176.870 0.088 0.000 0.935 879 L CA -0.375 54.554 54.840 0.147 0.000 0.891 879 L CB 1.873 44.089 42.059 0.262 0.000 1.318 879 L HN 0.106 nan 8.230 nan 0.000 0.409 880 N N 4.449 123.229 118.700 0.133 0.000 2.690 880 N HA 0.295 4.990 4.740 -0.075 0.000 0.255 880 N C -1.891 173.727 175.510 0.181 0.000 1.195 880 N CA -0.315 52.805 53.050 0.117 0.000 0.790 880 N CB 0.863 39.391 38.487 0.067 0.000 1.216 880 N HN 0.617 nan 8.380 nan 0.000 0.528 881 L N 3.479 124.857 121.223 0.260 0.000 2.283 881 L HA 0.551 4.846 4.340 -0.075 0.000 0.287 881 L C -0.559 176.474 176.870 0.273 0.000 1.073 881 L CA 0.190 55.182 54.840 0.252 0.000 0.822 881 L CB -0.070 42.151 42.059 0.269 0.000 1.186 881 L HN 0.326 nan 8.230 nan 0.000 0.436 882 R N 4.135 124.773 120.500 0.230 0.000 2.698 882 R HA 0.240 4.535 4.340 -0.075 0.000 0.275 882 R C -1.557 174.888 176.300 0.242 0.000 1.001 882 R CA -0.773 55.489 56.100 0.269 0.000 0.896 882 R CB 1.431 31.857 30.300 0.211 0.000 1.218 882 R HN 0.540 nan 8.270 nan 0.000 0.462 883 Y N 1.236 121.641 120.300 0.175 0.000 2.393 883 Y HA 0.242 4.747 4.550 -0.075 0.000 0.338 883 Y C -0.050 175.911 175.900 0.101 0.000 1.029 883 Y CA 0.462 58.637 58.100 0.126 0.000 1.239 883 Y CB 0.757 39.288 38.460 0.119 0.000 1.170 883 Y HN 0.629 nan 8.280 nan 0.000 0.515 884 E N 3.583 123.661 120.200 -0.203 0.000 2.354 884 E HA 0.253 4.558 4.350 -0.075 0.000 0.283 884 E C -0.658 175.844 176.600 -0.164 0.000 0.938 884 E CA -0.457 55.905 56.400 -0.063 0.000 0.777 884 E CB 1.678 31.382 29.700 0.006 0.000 1.222 884 E HN 0.525 nan 8.360 nan 0.000 0.423 885 S N 3.702 119.366 115.700 -0.059 0.000 3.447 885 S HA -0.281 4.144 4.470 -0.075 0.000 0.371 885 S C -0.078 174.488 174.600 -0.057 0.000 0.951 885 S CA 1.801 59.987 58.200 -0.022 0.000 1.269 885 S CB -1.995 61.214 63.200 0.015 0.000 0.919 885 S HN 0.912 nan 8.310 nan 0.000 0.516 886 N N -0.939 117.614 118.700 -0.245 0.000 2.948 886 N HA -0.182 4.513 4.740 -0.075 0.000 0.239 886 N C -0.447 174.537 175.510 -0.878 0.000 0.954 886 N CA 1.552 54.375 53.050 -0.377 0.000 0.941 886 N CB -0.960 37.373 38.487 -0.257 0.000 1.101 886 N HN 0.841 nan 8.380 nan 0.000 0.579 887 H N -0.900 117.673 119.070 -0.828 0.000 2.974 887 H HA 0.495 5.006 4.556 -0.075 0.000 0.366 887 H C -1.088 173.878 175.328 -0.603 0.000 1.155 887 H CA -0.822 54.890 56.048 -0.561 0.000 1.186 887 H CB 1.131 30.738 29.762 -0.257 0.000 1.799 887 H HN 0.029 nan 8.280 nan 0.000 0.541 888 L N 4.512 125.659 121.223 -0.128 0.000 2.369 888 L HA 0.386 4.681 4.340 -0.075 0.000 0.279 888 L C -0.589 176.324 176.870 0.072 0.000 1.108 888 L CA 0.174 55.060 54.840 0.077 0.000 0.852 888 L CB -0.748 41.465 42.059 0.256 0.000 1.169 888 L HN 0.621 nan 8.230 nan 0.000 0.452 889 I N 0.483 121.091 120.570 0.064 0.000 3.074 889 I HA 0.545 4.670 4.170 -0.075 0.000 0.310 889 I C -1.080 175.092 176.117 0.093 0.000 1.153 889 I CA -1.061 60.274 61.300 0.058 0.000 0.993 889 I CB 2.014 40.022 38.000 0.013 0.000 1.237 889 I HN 0.395 nan 8.210 nan 0.000 0.443 890 D N 3.217 123.674 120.400 0.095 0.000 2.325 890 D HA 0.311 4.906 4.640 -0.075 0.000 0.251 890 D C 0.439 176.795 176.300 0.093 0.000 1.196 890 D CA -0.102 53.970 54.000 0.120 0.000 0.866 890 D CB 1.132 42.017 40.800 0.142 0.000 1.101 890 D HN 0.651 nan 8.370 nan 0.000 0.476 891 L N 2.522 123.801 121.223 0.093 0.000 2.558 891 L HA 0.045 4.340 4.340 -0.075 0.000 0.225 891 L C 1.335 178.241 176.870 0.060 0.000 1.128 891 L CA -0.107 54.771 54.840 0.065 0.000 0.868 891 L CB -0.502 41.594 42.059 0.061 0.000 1.006 891 L HN 0.364 nan 8.230 nan 0.000 0.454 892 S N 0.519 116.274 115.700 0.091 0.000 2.606 892 S HA 0.012 4.437 4.470 -0.075 0.000 0.257 892 S C 1.377 175.995 174.600 0.029 0.000 1.327 892 S CA -0.488 57.771 58.200 0.098 0.000 0.984 892 S CB 0.731 64.062 63.200 0.219 0.000 0.941 892 S HN 0.446 nan 8.310 nan 0.000 0.576 893 R N -0.392 120.051 120.500 -0.095 0.000 2.285 893 R HA -0.022 4.273 4.340 -0.075 0.000 0.213 893 R C 0.924 177.014 176.300 -0.351 0.000 1.068 893 R CA 1.230 57.174 56.100 -0.259 0.000 1.004 893 R CB -0.736 29.335 30.300 -0.382 0.000 0.873 893 R HN 0.741 nan 8.270 nan 0.000 0.467 894 Y N 0.878 121.203 120.300 0.042 0.000 2.475 894 Y HA 0.316 4.820 4.550 -0.075 0.000 0.289 894 Y C 1.439 177.366 175.900 0.044 0.000 1.121 894 Y CA 0.240 58.367 58.100 0.046 0.000 1.257 894 Y CB 0.107 38.602 38.460 0.058 0.000 1.026 894 Y HN 0.228 nan 8.280 nan 0.000 0.555 895 A N 0.662 123.571 122.820 0.148 0.000 2.640 895 A HA -0.238 4.037 4.320 -0.075 0.000 0.300 895 A C 0.706 178.359 177.584 0.116 0.000 1.499 895 A CA 0.602 52.698 52.037 0.099 0.000 0.759 895 A CB -2.169 16.859 19.000 0.047 0.000 1.048 895 A HN 0.247 nan 8.150 nan 0.000 0.450 896 S N -0.296 115.497 115.700 0.155 0.000 2.558 896 S HA 0.215 4.640 4.470 -0.075 0.000 0.288 896 S C 0.572 175.234 174.600 0.102 0.000 1.318 896 S CA 0.287 58.568 58.200 0.135 0.000 1.056 896 S CB 0.692 63.983 63.200 0.152 0.000 0.853 896 S HN 0.659 nan 8.310 nan 0.000 0.505 897 K N 2.358 122.809 120.400 0.084 0.000 2.322 897 K HA 0.218 4.493 4.320 -0.075 0.000 0.283 897 K C -0.670 175.975 176.600 0.076 0.000 1.042 897 K CA -0.181 56.146 56.287 0.066 0.000 0.958 897 K CB 0.241 32.772 32.500 0.053 0.000 0.984 897 K HN 0.348 nan 8.250 nan 0.000 0.473 898 I N 3.978 124.590 120.570 0.070 0.000 2.378 898 I HA 0.246 4.371 4.170 -0.075 0.000 0.291 898 I C -0.567 175.595 176.117 0.076 0.000 0.992 898 I CA -0.728 60.620 61.300 0.080 0.000 1.154 898 I CB 1.452 39.502 38.000 0.084 0.000 1.315 898 I HN 0.595 nan 8.210 nan 0.000 0.448 899 N N 7.266 126.014 118.700 0.080 0.000 2.483 899 N HA 0.492 5.187 4.740 -0.075 0.000 0.267 899 N C -0.735 174.830 175.510 0.092 0.000 0.998 899 N CA -0.366 52.730 53.050 0.078 0.000 0.918 899 N CB 2.610 41.136 38.487 0.064 0.000 1.215 899 N HN 0.421 nan 8.380 nan 0.000 0.500 900 I N 0.935 121.570 120.570 0.108 0.000 2.359 900 I HA 0.319 4.444 4.170 -0.075 0.000 0.294 900 I C 1.313 177.500 176.117 0.117 0.000 0.987 900 I CA -0.501 60.880 61.300 0.135 0.000 1.225 900 I CB 1.512 39.634 38.000 0.204 0.000 1.366 900 I HN 0.359 nan 8.210 nan 0.000 0.466 901 G N 2.381 111.243 108.800 0.104 0.000 2.599 901 G HA2 0.255 4.170 3.960 -0.075 0.000 0.264 901 G HA3 0.255 4.170 3.960 -0.075 0.000 0.264 901 G C 0.904 175.863 174.900 0.098 0.000 1.200 901 G CA -0.013 45.138 45.100 0.086 0.000 0.896 901 G HN 0.705 nan 8.290 nan 0.000 0.536 902 S N -0.783 114.963 115.700 0.076 0.000 2.481 902 S HA 0.037 4.462 4.470 -0.075 0.000 0.231 902 S C 1.131 175.778 174.600 0.078 0.000 0.996 902 S CA 0.678 58.922 58.200 0.073 0.000 0.942 902 S CB 0.127 63.355 63.200 0.047 0.000 0.768 902 S HN 0.369 nan 8.310 nan 0.000 0.520 903 K N 1.785 122.233 120.400 0.080 0.000 2.861 903 K HA 0.414 4.689 4.320 -0.075 0.000 0.210 903 K C -0.911 175.778 176.600 0.149 0.000 1.112 903 K CA -0.131 56.208 56.287 0.087 0.000 1.076 903 K CB 1.058 33.589 32.500 0.051 0.000 0.853 903 K HN 0.238 nan 8.250 nan 0.000 0.463 904 V N 1.642 121.626 119.914 0.116 0.000 2.439 904 V HA 0.216 4.291 4.120 -0.075 0.000 0.282 904 V C 0.049 176.145 176.094 0.004 0.000 1.039 904 V CA -0.911 61.390 62.300 0.002 0.000 0.913 904 V CB 1.470 33.270 31.823 -0.038 0.000 0.983 904 V HN 0.281 nan 8.190 nan 0.000 0.460 905 N N 3.106 121.698 118.700 -0.180 0.000 2.405 905 N HA 0.587 5.282 4.740 -0.075 0.000 0.299 905 N C -1.428 173.901 175.510 -0.301 0.000 1.075 905 N CA -0.383 52.626 53.050 -0.068 0.000 0.884 905 N CB 1.128 39.612 38.487 -0.006 0.000 1.194 905 N HN 0.396 nan 8.380 nan 0.000 0.491 906 F N 0.702 120.707 119.950 0.092 0.000 2.482 906 F HA 0.259 4.741 4.527 -0.075 0.000 0.331 906 F C 0.520 176.426 175.800 0.177 0.000 1.115 906 F CA -1.013 57.063 58.000 0.127 0.000 0.955 906 F CB 1.278 40.291 39.000 0.021 0.000 1.136 906 F HN 0.356 nan 8.300 nan 0.000 0.452 907 D N 5.291 125.929 120.400 0.396 0.000 2.493 907 D HA 0.005 4.600 4.640 -0.075 0.000 0.240 907 D C -1.442 174.913 176.300 0.091 0.000 1.142 907 D CA -1.278 52.839 54.000 0.196 0.000 0.872 907 D CB 1.483 42.269 40.800 -0.024 0.000 1.173 907 D HN 0.210 nan 8.370 nan 0.000 0.467 908 P HA -0.079 nan 4.420 nan 0.000 0.221 908 P C 1.388 178.694 177.300 0.009 0.000 1.150 908 P CA 0.796 63.920 63.100 0.040 0.000 0.800 908 P CB 0.401 32.134 31.700 0.055 0.000 0.787 909 I N -0.714 119.854 120.570 -0.004 0.000 2.867 909 I HA 0.098 4.223 4.170 -0.075 0.000 0.265 909 I C 0.877 176.981 176.117 -0.021 0.000 1.162 909 I CA 0.912 62.225 61.300 0.020 0.000 1.471 909 I CB -0.200 37.830 38.000 0.049 0.000 1.123 909 I HN -0.169 nan 8.210 nan 0.000 0.440 910 D N 0.659 120.960 120.400 -0.164 0.000 2.378 910 D HA 0.175 4.770 4.640 -0.075 0.000 0.265 910 D C 0.587 176.787 176.300 -0.167 0.000 1.229 910 D CA -0.165 53.695 54.000 -0.233 0.000 0.914 910 D CB 0.740 41.184 40.800 -0.595 0.000 1.140 910 D HN -0.014 nan 8.370 nan 0.000 0.516 911 K N 1.124 121.406 120.400 -0.196 0.000 2.515 911 K HA 0.015 4.290 4.320 -0.075 0.000 0.196 911 K C 1.278 177.805 176.600 -0.121 0.000 1.038 911 K CA 0.242 56.334 56.287 -0.324 0.000 0.967 911 K CB 0.351 32.204 32.500 -1.079 0.000 0.780 911 K HN 0.286 nan 8.250 nan 0.000 0.483 912 N N 1.343 120.021 118.700 -0.037 0.000 2.459 912 N HA -0.075 4.620 4.740 -0.075 0.000 0.181 912 N C -0.120 175.377 175.510 -0.022 0.000 1.046 912 N CA 0.659 53.740 53.050 0.051 0.000 0.904 912 N CB 0.276 38.766 38.487 0.006 0.000 0.964 912 N HN 0.358 nan 8.380 nan 0.000 0.444 913 Q N 0.867 120.649 119.800 -0.029 0.000 2.307 913 Q HA 0.333 4.628 4.340 -0.075 0.000 0.259 913 Q C -0.444 175.781 176.000 0.375 0.000 0.998 913 Q CA 0.217 56.112 55.803 0.154 0.000 0.923 913 Q CB 1.253 30.012 28.738 0.036 0.000 1.196 913 Q HN 0.163 nan 8.270 nan 0.000 0.416 914 I N 2.296 123.063 120.570 0.329 0.000 2.378 914 I HA 0.221 4.346 4.170 -0.075 0.000 0.291 914 I C -0.223 175.761 176.117 -0.221 0.000 0.992 914 I CA -0.624 60.604 61.300 -0.120 0.000 1.154 914 I CB 1.751 39.627 38.000 -0.206 0.000 1.315 914 I HN 0.476 nan 8.210 nan 0.000 0.448 915 Q N 6.987 126.322 119.800 -0.775 0.000 2.307 915 Q HA 0.602 4.897 4.340 -0.075 0.000 0.262 915 Q C -1.718 173.722 176.000 -0.932 0.000 0.961 915 Q CA -0.647 54.373 55.803 -1.304 0.000 0.882 915 Q CB 1.504 28.908 28.738 -2.222 0.000 1.264 915 Q HN 0.626 nan 8.270 nan 0.000 0.446 916 L N 4.774 125.567 121.223 -0.715 0.000 2.305 916 L HA 0.510 4.805 4.340 -0.075 0.000 0.284 916 L C -0.764 175.840 176.870 -0.442 0.000 1.013 916 L CA -0.655 53.925 54.840 -0.432 0.000 0.819 916 L CB 0.819 42.781 42.059 -0.161 0.000 1.227 916 L HN 0.614 nan 8.230 nan 0.000 0.417 917 F N 0.732 120.629 119.950 -0.088 0.000 2.375 917 F HA 0.263 4.745 4.527 -0.075 0.000 0.317 917 F C 1.140 176.930 175.800 -0.016 0.000 1.124 917 F CA -0.641 57.340 58.000 -0.032 0.000 1.050 917 F CB 0.449 39.408 39.000 -0.068 0.000 1.314 917 F HN 0.398 nan 8.300 nan 0.000 0.511 918 N N 1.806 120.625 118.700 0.198 0.000 3.245 918 N HA 0.287 4.982 4.740 -0.075 0.000 0.296 918 N C -1.590 173.948 175.510 0.046 0.000 1.254 918 N CA 0.265 53.355 53.050 0.066 0.000 1.190 918 N CB -0.759 37.727 38.487 -0.001 0.000 1.460 918 N HN 0.444 nan 8.380 nan 0.000 0.538 919 L N 0.479 121.742 121.223 0.067 0.000 2.445 919 L HA 0.337 4.631 4.340 -0.075 0.000 0.262 919 L C 1.172 178.064 176.870 0.035 0.000 0.974 919 L CA -0.817 54.044 54.840 0.035 0.000 0.822 919 L CB 2.030 44.108 42.059 0.031 0.000 1.339 919 L HN -0.008 nan 8.230 nan 0.000 0.409 920 E N 0.278 120.488 120.200 0.017 0.000 2.118 920 E HA -0.118 4.187 4.350 -0.075 0.000 0.195 920 E C 1.443 178.059 176.600 0.027 0.000 0.992 920 E CA 1.333 57.744 56.400 0.017 0.000 0.804 920 E CB 0.101 29.805 29.700 0.007 0.000 0.741 920 E HN 0.564 nan 8.360 nan 0.000 0.458 921 S N 0.154 115.872 115.700 0.029 0.000 2.593 921 S HA 0.035 4.460 4.470 -0.075 0.000 0.217 921 S C 1.005 175.639 174.600 0.057 0.000 0.966 921 S CA -0.104 58.119 58.200 0.037 0.000 0.914 921 S CB 0.284 63.501 63.200 0.028 0.000 0.776 921 S HN -0.035 nan 8.310 nan 0.000 0.523 922 S N 3.037 118.779 115.700 0.070 0.000 3.363 922 S HA 0.324 4.749 4.470 -0.075 0.000 0.267 922 S C -0.335 174.298 174.600 0.055 0.000 1.288 922 S CA -0.648 57.603 58.200 0.085 0.000 0.948 922 S CB -0.670 62.623 63.200 0.155 0.000 1.397 922 S HN 0.541 nan 8.310 nan 0.000 0.493 923 K N 2.401 122.833 120.400 0.054 0.000 2.568 923 K HA 0.594 4.869 4.320 -0.075 0.000 0.273 923 K C -1.613 175.033 176.600 0.076 0.000 0.951 923 K CA -0.972 55.355 56.287 0.067 0.000 0.854 923 K CB 1.098 33.636 32.500 0.063 0.000 1.424 923 K HN 0.291 nan 8.250 nan 0.000 0.427 924 I N 1.018 121.655 120.570 0.110 0.000 2.466 924 I HA 0.309 4.434 4.170 -0.075 0.000 0.289 924 I C -1.003 175.227 176.117 0.189 0.000 1.026 924 I CA -0.624 60.741 61.300 0.107 0.000 1.078 924 I CB 2.220 40.214 38.000 -0.010 0.000 1.249 924 I HN 0.725 nan 8.210 nan 0.000 0.429 925 E N 5.355 125.636 120.200 0.135 0.000 2.187 925 E HA 0.614 4.919 4.350 -0.075 0.000 0.268 925 E C -1.657 175.020 176.600 0.128 0.000 0.896 925 E CA -0.671 55.807 56.400 0.130 0.000 0.766 925 E CB 2.251 31.993 29.700 0.070 0.000 1.142 925 E HN 0.339 nan 8.360 nan 0.000 0.408 926 V N 6.013 126.017 119.914 0.151 0.000 2.417 926 V HA 0.360 4.435 4.120 -0.075 0.000 0.291 926 V C -0.080 176.073 176.094 0.100 0.000 1.024 926 V CA -0.631 61.755 62.300 0.143 0.000 0.861 926 V CB 1.396 33.347 31.823 0.213 0.000 0.985 926 V HN 0.658 nan 8.190 nan 0.000 0.436 927 I N 5.992 126.614 120.570 0.085 0.000 2.306 927 I HA 0.322 4.447 4.170 -0.075 0.000 0.288 927 I C -0.138 176.025 176.117 0.075 0.000 1.036 927 I CA -0.239 61.099 61.300 0.064 0.000 1.221 927 I CB 0.898 38.929 38.000 0.052 0.000 1.385 927 I HN 0.376 nan 8.210 nan 0.000 0.472 928 L N 6.817 128.081 121.223 0.070 0.000 2.416 928 L HA 0.216 4.511 4.340 -0.075 0.000 0.272 928 L C 0.682 177.585 176.870 0.055 0.000 1.161 928 L CA -0.699 54.183 54.840 0.069 0.000 0.845 928 L CB 0.121 42.218 42.059 0.064 0.000 1.119 928 L HN 0.453 nan 8.230 nan 0.000 0.464 929 K N 2.931 123.369 120.400 0.063 0.000 2.524 929 K HA -0.077 4.198 4.320 -0.075 0.000 0.279 929 K C 0.828 177.444 176.600 0.028 0.000 0.993 929 K CA 0.384 56.711 56.287 0.067 0.000 1.030 929 K CB 0.264 32.843 32.500 0.133 0.000 0.891 929 K HN 0.577 nan 8.250 nan 0.000 0.488 930 N N 1.632 120.353 118.700 0.036 0.000 2.094 930 N HA -0.250 4.445 4.740 -0.075 0.000 0.191 930 N C 1.544 177.051 175.510 -0.005 0.000 1.023 930 N CA 1.388 54.450 53.050 0.020 0.000 0.857 930 N CB -0.077 38.425 38.487 0.026 0.000 1.013 930 N HN 0.664 nan 8.380 nan 0.000 0.426 931 A N 1.201 124.023 122.820 0.003 0.000 2.070 931 A HA -0.081 4.193 4.320 -0.075 0.000 0.220 931 A C 1.887 179.415 177.584 -0.094 0.000 1.159 931 A CA 0.975 53.002 52.037 -0.016 0.000 0.656 931 A CB -0.667 18.369 19.000 0.059 0.000 0.800 931 A HN 0.549 nan 8.150 nan 0.000 0.453 932 I N -3.759 116.722 120.570 -0.149 0.000 4.025 932 I HA 0.308 4.433 4.170 -0.075 0.000 0.336 932 I C -0.354 175.727 176.117 -0.061 0.000 1.390 932 I CA -0.509 60.680 61.300 -0.186 0.000 1.099 932 I CB 0.366 38.129 38.000 -0.395 0.000 1.049 932 I HN -0.161 nan 8.210 nan 0.000 0.394 933 V N 2.005 121.902 119.914 -0.029 0.000 2.585 933 V HA -0.056 4.019 4.120 -0.075 0.000 0.296 933 V C -0.231 175.866 176.094 0.005 0.000 1.035 933 V CA 0.085 62.404 62.300 0.031 0.000 1.084 933 V CB 0.160 32.009 31.823 0.044 0.000 0.953 933 V HN 0.307 nan 8.190 nan 0.000 0.483 934 Y N 5.556 125.831 120.300 -0.041 0.000 2.436 934 Y HA 0.276 4.781 4.550 -0.075 0.000 0.343 934 Y C 0.578 176.423 175.900 -0.091 0.000 1.008 934 Y CA 0.009 58.040 58.100 -0.115 0.000 1.241 934 Y CB 0.387 38.733 38.460 -0.190 0.000 1.153 934 Y HN 0.762 nan 8.280 nan 0.000 0.521 935 N N 4.860 123.257 118.700 -0.504 0.000 2.685 935 N HA 0.286 4.981 4.740 -0.075 0.000 0.252 935 N C -1.855 173.357 175.510 -0.497 0.000 1.261 935 N CA -0.056 52.737 53.050 -0.428 0.000 0.768 935 N CB 0.420 38.549 38.487 -0.597 0.000 1.304 935 N HN 0.495 nan 8.380 nan 0.000 0.536 936 S N 2.024 117.448 115.700 -0.461 0.000 2.547 936 S HA 0.384 4.809 4.470 -0.075 0.000 0.270 936 S C 0.231 174.803 174.600 -0.047 0.000 1.150 936 S CA -0.433 57.525 58.200 -0.403 0.000 0.850 936 S CB 1.566 64.245 63.200 -0.867 0.000 1.118 936 S HN 0.454 nan 8.310 nan 0.000 0.461 937 M N 1.959 121.584 119.600 0.041 0.000 2.465 937 M HA 0.202 4.637 4.480 -0.075 0.000 0.249 937 M C 0.651 177.097 176.300 0.243 0.000 1.130 937 M CA 0.610 56.013 55.300 0.172 0.000 1.067 937 M CB 0.095 32.809 32.600 0.189 0.000 1.394 937 M HN 0.812 nan 8.290 nan 0.000 0.483 938 Y N -2.149 118.213 120.300 0.104 0.000 2.459 938 Y HA 0.475 4.980 4.550 -0.075 0.000 0.271 938 Y C -0.187 175.806 175.900 0.154 0.000 1.063 938 Y CA -0.910 57.258 58.100 0.114 0.000 1.216 938 Y CB -0.060 38.437 38.460 0.062 0.000 1.335 938 Y HN -0.102 nan 8.280 nan 0.000 0.550 939 E N 3.129 123.067 120.200 -0.437 0.000 2.324 939 E HA 0.109 4.414 4.350 -0.075 0.000 0.271 939 E C -0.675 176.090 176.600 0.275 0.000 1.028 939 E CA -0.290 55.989 56.400 -0.201 0.000 0.890 939 E CB 0.323 29.758 29.700 -0.443 0.000 1.004 939 E HN 0.282 nan 8.360 nan 0.000 0.431 940 N N 2.782 121.634 118.700 0.253 0.000 2.530 940 N HA 0.405 5.100 4.740 -0.075 0.000 0.277 940 N C -0.711 175.043 175.510 0.406 0.000 1.168 940 N CA -0.076 53.148 53.050 0.291 0.000 0.979 940 N CB 0.490 39.070 38.487 0.155 0.000 1.141 940 N HN 0.398 nan 8.380 nan 0.000 0.459 941 F N -2.378 117.609 119.950 0.062 0.000 2.719 941 F HA 0.706 5.188 4.527 -0.075 0.000 0.309 941 F C -1.024 174.741 175.800 -0.059 0.000 1.138 941 F CA -0.866 57.159 58.000 0.041 0.000 0.943 941 F CB 1.029 40.073 39.000 0.072 0.000 1.304 941 F HN 0.222 nan 8.300 nan 0.000 0.445 942 S N 0.372 116.040 115.700 -0.054 0.000 2.627 942 S HA 0.797 5.222 4.470 -0.075 0.000 0.283 942 S C -1.259 173.294 174.600 -0.079 0.000 1.127 942 S CA -0.830 57.209 58.200 -0.268 0.000 0.863 942 S CB 2.071 65.132 63.200 -0.232 0.000 1.121 942 S HN 0.954 nan 8.310 nan 0.000 0.479 943 T N 0.982 115.364 114.554 -0.287 0.000 2.903 943 T HA 0.769 5.074 4.350 -0.075 0.000 0.299 943 T C -1.474 173.098 174.700 -0.213 0.000 1.093 943 T CA -0.444 61.528 62.100 -0.214 0.000 1.002 943 T CB 1.218 69.897 68.868 -0.315 0.000 1.127 943 T HN 0.857 nan 8.240 nan 0.000 0.488 944 S N 2.673 118.303 115.700 -0.117 0.000 2.546 944 S HA 0.947 5.372 4.470 -0.075 0.000 0.274 944 S C -1.175 173.483 174.600 0.097 0.000 1.121 944 S CA -0.824 57.271 58.200 -0.175 0.000 0.887 944 S CB 1.496 64.711 63.200 0.025 0.000 1.094 944 S HN 1.094 nan 8.310 nan 0.000 0.474 945 F N -2.518 117.440 119.950 0.014 0.000 2.770 945 F HA 0.798 5.281 4.527 -0.074 0.000 0.313 945 F C -2.387 173.631 175.800 0.362 0.000 1.154 945 F CA -1.588 56.628 58.000 0.360 0.000 0.923 945 F CB 0.259 39.564 39.000 0.509 0.000 1.301 945 F HN 0.644 nan 8.300 nan 0.000 0.449 946 W N 2.706 124.412 121.300 0.677 0.000 2.570 946 W HA 0.812 5.426 4.660 -0.077 0.000 0.337 946 W C -0.763 176.273 176.519 0.862 0.000 1.067 946 W CA -0.844 56.887 57.345 0.643 0.000 1.229 946 W CB 1.795 31.537 29.460 0.470 0.000 1.355 946 W HN 0.701 nan 8.180 nan 0.000 0.555 947 I N 1.895 123.044 120.570 0.965 0.000 2.865 947 I HA 0.529 4.654 4.170 -0.075 0.000 0.302 947 I C -1.062 175.194 176.117 0.231 0.000 1.140 947 I CA -1.411 60.279 61.300 0.650 0.000 1.021 947 I CB 2.002 40.343 38.000 0.569 0.000 1.233 947 I HN 0.442 nan 8.210 nan 0.000 0.427 948 R N 7.131 127.500 120.500 -0.218 0.000 2.483 948 R HA 0.613 4.908 4.340 -0.075 0.000 0.303 948 R C -1.888 174.338 176.300 -0.122 0.000 0.987 948 R CA -0.478 55.376 56.100 -0.410 0.000 0.881 948 R CB 1.238 30.829 30.300 -1.181 0.000 1.177 948 R HN 0.560 nan 8.270 nan 0.000 0.451 949 I N 6.900 127.426 120.570 -0.074 0.000 2.354 949 I HA 0.370 4.495 4.170 -0.075 0.000 0.286 949 I C -1.924 174.083 176.117 -0.184 0.000 1.007 949 I CA -2.487 58.761 61.300 -0.086 0.000 1.167 949 I CB 1.808 39.827 38.000 0.032 0.000 1.320 949 I HN 0.404 nan 8.210 nan 0.000 0.458 950 P HA -0.017 nan 4.420 nan 0.000 0.268 950 P C -0.507 176.498 177.300 -0.493 0.000 1.208 950 P CA -0.363 62.519 63.100 -0.364 0.000 0.777 950 P CB 0.729 32.102 31.700 -0.544 0.000 0.875 951 K N 1.926 122.037 120.400 -0.482 0.000 2.527 951 K HA -0.024 4.251 4.320 -0.075 0.000 0.278 951 K C -0.455 175.485 176.600 -1.101 0.000 0.981 951 K CA 0.238 56.110 56.287 -0.692 0.000 1.009 951 K CB -0.203 31.785 32.500 -0.853 0.000 0.895 951 K HN 0.285 nan 8.250 nan 0.000 0.493 952 Y N 3.611 123.624 120.300 -0.478 0.000 2.377 952 Y HA 0.050 4.555 4.550 -0.075 0.000 0.330 952 Y C 0.447 176.164 175.900 -0.306 0.000 1.108 952 Y CA 0.037 57.979 58.100 -0.263 0.000 1.308 952 Y CB 0.427 38.956 38.460 0.115 0.000 1.216 952 Y HN 0.539 nan 8.280 nan 0.000 0.518 953 F N -0.166 119.936 119.950 0.254 0.000 2.712 953 F HA 0.142 4.624 4.527 -0.075 0.000 0.297 953 F C 0.791 176.721 175.800 0.216 0.000 1.114 953 F CA -0.126 58.022 58.000 0.247 0.000 1.305 953 F CB 0.436 39.501 39.000 0.108 0.000 1.086 953 F HN 0.449 nan 8.300 nan 0.000 0.599 954 N N -0.373 118.522 118.700 0.325 0.000 2.242 954 N HA 0.075 4.770 4.740 -0.075 0.000 0.292 954 N C 0.650 176.220 175.510 0.101 0.000 1.125 954 N CA 0.435 53.599 53.050 0.189 0.000 0.783 954 N CB 1.974 40.569 38.487 0.181 0.000 1.558 954 N HN -0.045 nan 8.380 nan 0.000 0.472 955 S N 2.176 117.892 115.700 0.027 0.000 2.507 955 S HA -0.086 4.339 4.470 -0.075 0.000 0.235 955 S C 1.775 176.357 174.600 -0.030 0.000 0.988 955 S CA 0.234 58.407 58.200 -0.045 0.000 0.944 955 S CB -0.351 62.814 63.200 -0.059 0.000 0.762 955 S HN 0.675 nan 8.310 nan 0.000 0.526 956 I N 1.365 121.948 120.570 0.021 0.000 2.756 956 I HA -0.100 4.025 4.170 -0.075 0.000 0.262 956 I C 1.497 177.635 176.117 0.036 0.000 1.225 956 I CA 0.791 62.107 61.300 0.026 0.000 1.472 956 I CB -0.102 37.926 38.000 0.046 0.000 1.094 956 I HN 0.271 nan 8.210 nan 0.000 0.454 957 S N 0.442 116.178 115.700 0.060 0.000 2.528 957 S HA 0.203 4.628 4.470 -0.075 0.000 0.219 957 S C 0.774 175.351 174.600 -0.039 0.000 0.985 957 S CA -0.148 58.104 58.200 0.086 0.000 0.914 957 S CB -0.113 63.250 63.200 0.273 0.000 0.776 957 S HN 0.235 nan 8.310 nan 0.000 0.526 958 L N 2.466 123.604 121.223 -0.142 0.000 2.453 958 L HA 0.149 4.444 4.340 -0.075 0.000 0.272 958 L C 0.174 176.985 176.870 -0.098 0.000 1.182 958 L CA -0.122 54.586 54.840 -0.221 0.000 0.858 958 L CB -0.264 41.617 42.059 -0.295 0.000 1.120 958 L HN 0.276 nan 8.230 nan 0.000 0.474 959 N N 1.777 120.431 118.700 -0.076 0.000 2.725 959 N HA -0.269 4.426 4.740 -0.075 0.000 0.251 959 N C -0.367 175.140 175.510 -0.004 0.000 1.031 959 N CA 0.621 53.647 53.050 -0.039 0.000 0.720 959 N CB -1.135 37.323 38.487 -0.048 0.000 0.930 959 N HN 0.740 nan 8.380 nan 0.000 0.543 960 N N 0.451 119.169 118.700 0.029 0.000 2.727 960 N HA 0.077 4.772 4.740 -0.075 0.000 0.252 960 N C -1.192 174.417 175.510 0.165 0.000 1.283 960 N CA -0.316 52.787 53.050 0.089 0.000 0.782 960 N CB 0.737 39.283 38.487 0.098 0.000 1.199 960 N HN 0.304 nan 8.380 nan 0.000 0.520 961 E N 2.918 123.174 120.200 0.094 0.000 2.344 961 E HA 0.026 4.331 4.350 -0.075 0.000 0.270 961 E C -1.271 175.419 176.600 0.150 0.000 1.021 961 E CA -0.201 56.236 56.400 0.062 0.000 0.887 961 E CB 0.491 30.191 29.700 0.001 0.000 0.997 961 E HN 0.498 nan 8.360 nan 0.000 0.429 962 Y N 0.369 120.691 120.300 0.037 0.000 2.406 962 Y HA 0.400 4.905 4.550 -0.075 0.000 0.340 962 Y C -0.493 175.430 175.900 0.038 0.000 0.975 962 Y CA -1.277 56.845 58.100 0.036 0.000 1.056 962 Y CB 0.935 39.426 38.460 0.053 0.000 1.210 962 Y HN 0.135 nan 8.280 nan 0.000 0.448 963 T N 4.761 119.370 114.554 0.091 0.000 2.930 963 T HA 0.231 4.536 4.350 -0.075 0.000 0.306 963 T C 1.224 175.964 174.700 0.067 0.000 1.045 963 T CA 0.220 62.331 62.100 0.018 0.000 1.134 963 T CB 0.555 69.415 68.868 -0.013 0.000 0.961 963 T HN 0.822 nan 8.240 nan 0.000 0.545 964 I N -0.664 119.913 120.570 0.012 0.000 4.338 964 I HA 0.474 4.599 4.170 -0.075 0.000 0.315 964 I C -0.012 176.056 176.117 -0.081 0.000 1.262 964 I CA 0.030 61.350 61.300 0.034 0.000 1.298 964 I CB 0.518 38.564 38.000 0.076 0.000 1.257 964 I HN 0.350 nan 8.210 nan 0.000 0.444 965 I N 2.728 123.207 120.570 -0.152 0.000 2.468 965 I HA 0.392 4.517 4.170 -0.075 0.000 0.284 965 I C -1.278 174.660 176.117 -0.298 0.000 1.038 965 I CA -0.385 60.680 61.300 -0.393 0.000 1.083 965 I CB 1.517 39.269 38.000 -0.413 0.000 1.223 965 I HN 0.080 nan 8.210 nan 0.000 0.443 966 N N 5.183 123.630 118.700 -0.422 0.000 2.443 966 N HA 0.336 5.031 4.740 -0.075 0.000 0.269 966 N C -0.965 174.179 175.510 -0.611 0.000 0.985 966 N CA -0.315 52.487 53.050 -0.413 0.000 0.921 966 N CB 1.996 40.323 38.487 -0.267 0.000 1.195 966 N HN 0.666 nan 8.380 nan 0.000 0.492 967 C N 5.674 124.443 119.300 -0.886 0.000 2.887 967 C HA 0.467 4.882 4.460 -0.075 0.000 0.240 967 C C -0.794 173.774 174.990 -0.703 0.000 1.872 967 C CA -0.491 57.922 59.018 -1.008 0.000 1.626 967 C CB -1.321 25.225 27.740 -1.990 0.000 3.115 967 C HN 0.582 nan 8.230 nan 0.000 0.488 968 M N 1.879 121.213 119.600 -0.443 0.000 2.363 968 M HA 0.501 4.936 4.480 -0.075 0.000 0.343 968 M C -0.525 175.642 176.300 -0.221 0.000 1.165 968 M CA 0.261 55.389 55.300 -0.287 0.000 1.046 968 M CB 1.490 33.958 32.600 -0.219 0.000 1.648 968 M HN 0.320 nan 8.290 nan 0.000 0.452 969 E N 2.185 122.275 120.200 -0.184 0.000 2.278 969 E HA 0.341 4.646 4.350 -0.075 0.000 0.272 969 E C -0.864 175.649 176.600 -0.146 0.000 0.890 969 E CA -0.091 56.208 56.400 -0.169 0.000 0.770 969 E CB 0.748 30.326 29.700 -0.204 0.000 1.212 969 E HN 0.614 nan 8.360 nan 0.000 0.415 970 N N 4.686 123.316 118.700 -0.117 0.000 2.727 970 N HA -0.247 4.447 4.740 -0.075 0.000 0.249 970 N C -0.670 174.795 175.510 -0.075 0.000 1.048 970 N CA 1.179 54.174 53.050 -0.092 0.000 0.714 970 N CB -1.146 37.281 38.487 -0.101 0.000 0.959 970 N HN 0.811 nan 8.380 nan 0.000 0.544 971 N N -2.720 115.934 118.700 -0.077 0.000 2.828 971 N HA -0.200 4.495 4.740 -0.075 0.000 0.248 971 N C -0.504 174.974 175.510 -0.054 0.000 1.044 971 N CA 1.489 54.501 53.050 -0.062 0.000 0.851 971 N CB -0.886 37.575 38.487 -0.044 0.000 1.136 971 N HN 0.531 nan 8.380 nan 0.000 0.572 972 S N -1.237 114.427 115.700 -0.061 0.000 2.536 972 S HA 0.815 5.240 4.470 -0.075 0.000 0.298 972 S C 0.421 174.987 174.600 -0.057 0.000 1.083 972 S CA 0.566 58.748 58.200 -0.030 0.000 0.995 972 S CB 2.153 65.366 63.200 0.021 0.000 1.058 972 S HN 0.788 nan 8.310 nan 0.000 0.488 973 G N 2.726 111.509 108.800 -0.028 0.000 2.236 973 G HA2 0.087 4.002 3.960 -0.075 0.000 0.231 973 G HA3 0.087 4.002 3.960 -0.075 0.000 0.231 973 G C -1.468 173.410 174.900 -0.036 0.000 1.334 973 G CA -0.165 44.899 45.100 -0.060 0.000 1.137 973 G HN 1.190 nan 8.290 nan 0.000 0.482 974 W N 0.811 121.991 121.300 -0.200 0.000 3.031 974 W HA 0.823 5.439 4.660 -0.074 0.000 0.337 974 W C -0.796 175.502 176.519 -0.369 0.000 1.187 974 W CA -0.731 56.368 57.345 -0.409 0.000 1.166 974 W CB 1.555 30.770 29.460 -0.408 0.000 1.437 974 W HN 1.111 nan 8.180 nan 0.000 0.551 975 K N 0.179 120.496 120.400 -0.139 0.000 2.568 975 K HA 0.633 4.908 4.320 -0.075 0.000 0.273 975 K C -2.141 174.524 176.600 0.108 0.000 0.951 975 K CA -0.927 55.347 56.287 -0.021 0.000 0.854 975 K CB 2.115 34.528 32.500 -0.144 0.000 1.424 975 K HN 0.258 nan 8.250 nan 0.000 0.427 976 V N 1.877 121.954 119.914 0.272 0.000 2.435 976 V HA 0.514 4.589 4.120 -0.075 0.000 0.290 976 V C -0.348 175.813 176.094 0.112 0.000 1.030 976 V CA -0.358 62.128 62.300 0.309 0.000 0.881 976 V CB 1.179 33.238 31.823 0.393 0.000 0.983 976 V HN 0.963 nan 8.190 nan 0.000 0.445 977 S N 5.371 121.115 115.700 0.073 0.000 2.632 977 S HA 0.878 5.303 4.470 -0.075 0.000 0.289 977 S C -1.050 173.480 174.600 -0.116 0.000 1.115 977 S CA -0.907 57.257 58.200 -0.060 0.000 0.889 977 S CB 1.950 65.110 63.200 -0.067 0.000 1.116 977 S HN 0.433 nan 8.310 nan 0.000 0.486 978 L N 1.264 122.250 121.223 -0.395 0.000 2.323 978 L HA 0.710 5.005 4.340 -0.075 0.000 0.265 978 L C -0.316 176.301 176.870 -0.421 0.000 1.012 978 L CA -0.866 53.730 54.840 -0.406 0.000 0.820 978 L CB 1.974 43.716 42.059 -0.529 0.000 1.334 978 L HN 0.738 nan 8.230 nan 0.000 0.427 979 N N -0.772 117.811 118.700 -0.195 0.000 2.972 979 N HA 0.191 4.886 4.740 -0.075 0.000 0.262 979 N C -1.374 173.933 175.510 -0.339 0.000 1.478 979 N CA -0.623 52.343 53.050 -0.141 0.000 0.841 979 N CB 1.311 39.734 38.487 -0.106 0.000 1.512 979 N HN 0.420 nan 8.380 nan 0.000 0.548 980 Y N 1.593 121.518 120.300 -0.625 0.000 2.852 980 Y HA 0.176 4.681 4.550 -0.075 0.000 0.343 980 Y C 1.442 176.934 175.900 -0.680 0.000 1.280 980 Y CA 1.632 59.138 58.100 -0.991 0.000 1.604 980 Y CB -0.580 37.529 38.460 -0.586 0.000 1.216 980 Y HN 0.723 nan 8.280 nan 0.000 0.541 981 G N 4.159 112.210 108.800 -1.248 0.000 2.179 981 G HA2 -0.274 3.641 3.960 -0.075 0.000 0.257 981 G HA3 -0.274 3.641 3.960 -0.075 0.000 0.257 981 G C -0.211 173.987 174.900 -1.169 0.000 1.010 981 G CA 0.406 44.594 45.100 -1.520 0.000 0.736 981 G HN 0.669 nan 8.290 nan 0.000 0.513 982 E N -1.039 118.824 120.200 -0.562 0.000 2.331 982 E HA 0.630 4.935 4.350 -0.075 0.000 0.275 982 E C -0.483 176.132 176.600 0.024 0.000 0.895 982 E CA -0.930 55.320 56.400 -0.250 0.000 0.753 982 E CB 2.044 31.624 29.700 -0.201 0.000 1.216 982 E HN 0.231 nan 8.360 nan 0.000 0.434 983 I N 3.433 124.081 120.570 0.131 0.000 2.436 983 I HA 0.450 4.575 4.170 -0.075 0.000 0.289 983 I C -0.714 175.509 176.117 0.176 0.000 1.010 983 I CA -0.685 60.746 61.300 0.218 0.000 1.098 983 I CB 1.218 39.428 38.000 0.351 0.000 1.266 983 I HN 0.320 nan 8.210 nan 0.000 0.434 984 I N 5.475 126.138 120.570 0.155 0.000 2.465 984 I HA 0.322 4.447 4.170 -0.075 0.000 0.291 984 I C -0.874 175.403 176.117 0.266 0.000 1.014 984 I CA -0.444 60.948 61.300 0.154 0.000 1.093 984 I CB 2.109 40.145 38.000 0.060 0.000 1.267 984 I HN 0.599 nan 8.210 nan 0.000 0.431 985 W N 6.337 127.667 121.300 0.051 0.000 2.478 985 W HA 0.565 5.180 4.660 -0.074 0.000 0.318 985 W C -1.366 175.188 176.519 0.057 0.000 1.062 985 W CA -0.422 56.963 57.345 0.066 0.000 1.210 985 W CB 1.994 31.465 29.460 0.018 0.000 1.325 985 W HN 0.391 nan 8.180 nan 0.000 0.496 986 T N 6.918 121.208 114.554 -0.441 0.000 2.841 986 T HA 0.478 4.783 4.350 -0.075 0.000 0.285 986 T C -0.336 174.015 174.700 -0.581 0.000 0.991 986 T CA -0.537 61.340 62.100 -0.371 0.000 0.966 986 T CB 1.518 70.273 68.868 -0.189 0.000 0.962 986 T HN 0.257 nan 8.240 nan 0.000 0.438 987 L N 2.929 123.941 121.223 -0.351 0.000 2.334 987 L HA 0.671 4.966 4.340 -0.075 0.000 0.276 987 L C -0.160 176.671 176.870 -0.065 0.000 1.014 987 L CA -0.768 53.970 54.840 -0.169 0.000 0.815 987 L CB 2.006 44.058 42.059 -0.010 0.000 1.268 987 L HN 0.561 nan 8.230 nan 0.000 0.428 988 Q N 1.887 121.671 119.800 -0.027 0.000 2.284 988 Q HA 0.242 4.537 4.340 -0.075 0.000 0.269 988 Q C -1.524 174.495 176.000 0.032 0.000 1.026 988 Q CA -0.786 55.014 55.803 -0.005 0.000 0.831 988 Q CB 2.631 31.350 28.738 -0.032 0.000 1.322 988 Q HN 0.713 nan 8.270 nan 0.000 0.419 989 D N 0.930 121.358 120.400 0.047 0.000 2.478 989 D HA 0.080 4.675 4.640 -0.075 0.000 0.274 989 D C 0.853 177.185 176.300 0.054 0.000 1.234 989 D CA 0.192 54.235 54.000 0.072 0.000 1.069 989 D CB 0.478 41.327 40.800 0.081 0.000 1.113 989 D HN 0.585 nan 8.370 nan 0.000 0.571 990 T N -3.566 111.027 114.554 0.066 0.000 3.148 990 T HA 0.005 4.310 4.350 -0.075 0.000 0.253 990 T C 0.717 175.438 174.700 0.034 0.000 1.134 990 T CA 0.254 62.385 62.100 0.052 0.000 1.051 990 T CB -0.161 68.752 68.868 0.074 0.000 0.959 990 T HN 0.318 nan 8.240 nan 0.000 0.525 991 Q N 0.769 120.589 119.800 0.033 0.000 2.141 991 Q HA 0.205 4.500 4.340 -0.075 0.000 0.248 991 Q C -0.117 175.894 176.000 0.018 0.000 0.834 991 Q CA -0.085 55.733 55.803 0.024 0.000 1.096 991 Q CB 0.514 29.268 28.738 0.028 0.000 1.189 991 Q HN 0.531 nan 8.270 nan 0.000 0.471 992 E N -0.471 119.738 120.200 0.014 0.000 3.628 992 E HA -0.188 4.117 4.350 -0.075 0.000 0.309 992 E C 0.085 176.690 176.600 0.007 0.000 0.839 992 E CA 0.491 56.894 56.400 0.005 0.000 1.123 992 E CB -1.473 28.227 29.700 0.000 0.000 1.568 992 E HN 0.291 nan 8.360 nan 0.000 0.440 993 I N 1.156 121.736 120.570 0.017 0.000 2.474 993 I HA 0.290 4.415 4.170 -0.075 0.000 0.287 993 I C 0.772 176.899 176.117 0.017 0.000 1.048 993 I CA 0.114 61.425 61.300 0.019 0.000 1.383 993 I CB 0.672 38.689 38.000 0.028 0.000 1.412 993 I HN -0.080 nan 8.210 nan 0.000 0.531 994 K N 3.682 124.089 120.400 0.010 0.000 2.426 994 K HA 0.586 4.861 4.320 -0.075 0.000 0.251 994 K C -0.982 175.622 176.600 0.007 0.000 0.941 994 K CA -0.758 55.529 56.287 0.000 0.000 0.808 994 K CB 2.536 35.029 32.500 -0.013 0.000 1.265 994 K HN 0.442 nan 8.250 nan 0.000 0.432 995 Q N 1.516 121.318 119.800 0.004 0.000 2.416 995 Q HA 0.493 4.788 4.340 -0.075 0.000 0.281 995 Q C -1.769 174.239 176.000 0.013 0.000 1.067 995 Q CA -0.659 55.155 55.803 0.018 0.000 0.809 995 Q CB 1.914 30.677 28.738 0.041 0.000 1.418 995 Q HN 0.515 nan 8.270 nan 0.000 0.411 996 R N 0.345 120.865 120.500 0.033 0.000 2.686 996 R HA 0.797 5.091 4.340 -0.075 0.000 0.283 996 R C -1.144 175.210 176.300 0.090 0.000 0.978 996 R CA -0.930 55.203 56.100 0.055 0.000 0.897 996 R CB 2.132 32.448 30.300 0.026 0.000 1.192 996 R HN 0.523 nan 8.270 nan 0.000 0.457 997 V N -0.805 119.202 119.914 0.154 0.000 2.769 997 V HA 0.839 4.914 4.120 -0.075 0.000 0.312 997 V C -0.682 175.476 176.094 0.107 0.000 1.061 997 V CA -0.740 61.623 62.300 0.104 0.000 0.931 997 V CB 2.109 33.974 31.823 0.071 0.000 1.010 997 V HN 0.425 nan 8.190 nan 0.000 0.433 998 V N 4.506 124.457 119.914 0.062 0.000 2.686 998 V HA 0.489 4.563 4.120 -0.075 0.000 0.306 998 V C -0.937 175.215 176.094 0.097 0.000 1.065 998 V CA -0.316 62.024 62.300 0.068 0.000 0.894 998 V CB 1.761 33.595 31.823 0.018 0.000 1.004 998 V HN 0.934 nan 8.190 nan 0.000 0.424 999 F N 5.274 125.192 119.950 -0.054 0.000 2.415 999 F HA 0.800 5.282 4.527 -0.075 0.000 0.348 999 F C -0.233 175.535 175.800 -0.053 0.000 1.119 999 F CA -0.875 57.077 58.000 -0.081 0.000 1.069 999 F CB 1.300 40.232 39.000 -0.114 0.000 1.124 999 F HN 0.443 nan 8.300 nan 0.000 0.472 1000 K N 6.738 126.846 120.400 -0.487 0.000 2.292 1000 K HA 0.432 4.707 4.320 -0.075 0.000 0.257 1000 K C -1.923 174.231 176.600 -0.743 0.000 0.940 1000 K CA -0.560 55.375 56.287 -0.588 0.000 0.811 1000 K CB 0.658 32.977 32.500 -0.302 0.000 1.120 1000 K HN 0.612 nan 8.250 nan 0.000 0.428 1001 Y N 0.150 119.983 120.300 -0.778 0.000 2.499 1001 Y HA 0.644 5.149 4.550 -0.075 0.000 0.347 1001 Y C -0.175 175.578 175.900 -0.245 0.000 0.987 1001 Y CA -1.225 56.585 58.100 -0.483 0.000 1.044 1001 Y CB 1.629 39.801 38.460 -0.481 0.000 1.245 1001 Y HN 0.424 nan 8.280 nan 0.000 0.461 1002 S N 1.410 117.116 115.700 0.009 0.000 2.562 1002 S HA 0.198 4.623 4.470 -0.075 0.000 0.275 1002 S C 0.243 174.889 174.600 0.076 0.000 1.281 1002 S CA -0.557 57.630 58.200 -0.021 0.000 1.045 1002 S CB 0.924 64.156 63.200 0.054 0.000 0.962 1002 S HN 0.888 nan 8.310 nan 0.000 0.503 1003 Q N 2.364 122.179 119.800 0.024 0.000 2.282 1003 Q HA 0.213 4.508 4.340 -0.075 0.000 0.206 1003 Q C -0.541 175.578 176.000 0.198 0.000 0.878 1003 Q CA 0.178 56.069 55.803 0.148 0.000 0.944 1003 Q CB 0.254 29.082 28.738 0.150 0.000 1.100 1003 Q HN 0.599 nan 8.270 nan 0.000 0.509 1004 M N 1.446 121.137 119.600 0.150 0.000 2.628 1004 M HA 0.451 4.886 4.480 -0.075 0.000 0.327 1004 M C -0.748 175.626 176.300 0.124 0.000 1.223 1004 M CA -0.049 55.332 55.300 0.135 0.000 1.221 1004 M CB 0.136 32.795 32.600 0.099 0.000 1.202 1004 M HN 0.072 nan 8.290 nan 0.000 0.473 1005 I N 1.204 121.863 120.570 0.150 0.000 2.752 1005 I HA 0.271 4.396 4.170 -0.075 0.000 0.290 1005 I C 0.102 176.311 176.117 0.153 0.000 1.507 1005 I CA -0.201 61.181 61.300 0.137 0.000 1.038 1005 I CB 2.040 40.129 38.000 0.149 0.000 1.390 1005 I HN 0.299 nan 8.210 nan 0.000 0.435 1006 N N 5.445 124.214 118.700 0.114 0.000 2.058 1006 N HA 0.085 4.780 4.740 -0.075 0.000 0.191 1006 N C -0.106 175.480 175.510 0.128 0.000 1.037 1006 N CA 1.563 54.678 53.050 0.109 0.000 0.848 1006 N CB 0.093 38.617 38.487 0.062 0.000 1.021 1006 N HN 0.351 nan 8.380 nan 0.000 0.422 1007 I N -0.224 120.408 120.570 0.103 0.000 2.478 1007 I HA 0.165 4.290 4.170 -0.075 0.000 0.287 1007 I C -0.367 175.815 176.117 0.108 0.000 1.042 1007 I CA -0.435 60.927 61.300 0.102 0.000 1.067 1007 I CB 1.657 39.685 38.000 0.047 0.000 1.233 1007 I HN -0.126 nan 8.210 nan 0.000 0.431 1008 S N 3.585 119.375 115.700 0.151 0.000 2.508 1008 S HA 0.262 4.687 4.470 -0.075 0.000 0.284 1008 S C 0.654 175.206 174.600 -0.080 0.000 1.192 1008 S CA -0.398 57.860 58.200 0.097 0.000 1.070 1008 S CB 0.981 64.317 63.200 0.226 0.000 1.004 1008 S HN 0.489 nan 8.310 nan 0.000 0.493 1009 D N 2.865 123.056 120.400 -0.348 0.000 2.348 1009 D HA 0.043 4.638 4.640 -0.075 0.000 0.216 1009 D C 0.364 176.308 176.300 -0.592 0.000 0.970 1009 D CA 1.258 54.886 54.000 -0.619 0.000 0.889 1009 D CB 0.063 40.249 40.800 -1.023 0.000 0.912 1009 D HN 0.673 nan 8.370 nan 0.000 0.524 1010 Y N -0.377 119.915 120.300 -0.013 0.000 2.652 1010 Y HA 0.327 4.833 4.550 -0.074 0.000 0.275 1010 Y C 0.964 176.768 175.900 -0.161 0.000 1.133 1010 Y CA -0.740 57.288 58.100 -0.121 0.000 1.246 1010 Y CB 0.096 38.406 38.460 -0.250 0.000 1.334 1010 Y HN -0.210 nan 8.280 nan 0.000 0.493 1011 I N 2.614 123.259 120.570 0.126 0.000 2.662 1011 I HA -0.112 4.013 4.170 -0.075 0.000 0.285 1011 I C 0.745 177.013 176.117 0.253 0.000 1.161 1011 I CA 0.646 62.069 61.300 0.204 0.000 1.415 1011 I CB -0.045 38.190 38.000 0.390 0.000 1.385 1011 I HN 0.382 nan 8.210 nan 0.000 0.552 1012 N N 3.997 122.775 118.700 0.130 0.000 2.753 1012 N HA -0.219 4.476 4.740 -0.075 0.000 0.251 1012 N C -0.483 175.122 175.510 0.159 0.000 1.097 1012 N CA 1.145 54.247 53.050 0.086 0.000 0.786 1012 N CB -0.432 38.107 38.487 0.086 0.000 1.137 1012 N HN 0.606 nan 8.380 nan 0.000 0.566 1013 R N -0.890 119.688 120.500 0.130 0.000 2.711 1013 R HA 0.349 4.644 4.340 -0.075 0.000 0.284 1013 R C -0.563 175.806 176.300 0.115 0.000 0.968 1013 R CA -0.718 55.455 56.100 0.123 0.000 0.924 1013 R CB 0.659 30.951 30.300 -0.012 0.000 1.162 1013 R HN 0.125 nan 8.270 nan 0.000 0.465 1014 W N 3.731 125.151 121.300 0.201 0.000 2.264 1014 W HA 0.138 4.752 4.660 -0.076 0.000 0.331 1014 W C 0.378 177.132 176.519 0.392 0.000 1.364 1014 W CA 0.058 57.587 57.345 0.307 0.000 1.253 1014 W CB 0.230 29.859 29.460 0.281 0.000 1.215 1014 W HN 0.450 nan 8.180 nan 0.000 0.561 1015 I N 1.757 122.731 120.570 0.673 0.000 2.647 1015 I HA 0.525 4.650 4.170 -0.075 0.000 0.295 1015 I C -1.407 174.822 176.117 0.187 0.000 1.078 1015 I CA -1.355 60.187 61.300 0.404 0.000 1.048 1015 I CB 1.464 39.601 38.000 0.227 0.000 1.239 1015 I HN 0.197 nan 8.210 nan 0.000 0.421 1016 F N 6.695 126.343 119.950 -0.503 0.000 2.424 1016 F HA 0.693 5.175 4.527 -0.075 0.000 0.356 1016 F C -0.647 174.695 175.800 -0.764 0.000 1.110 1016 F CA -0.628 56.703 58.000 -1.114 0.000 1.161 1016 F CB 1.102 39.166 39.000 -1.560 0.000 1.115 1016 F HN 0.343 nan 8.300 nan 0.000 0.507 1017 V N 5.279 124.430 119.914 -1.272 0.000 2.435 1017 V HA 0.535 4.610 4.120 -0.075 0.000 0.290 1017 V C -0.350 174.889 176.094 -1.424 0.000 1.030 1017 V CA -0.538 61.023 62.300 -1.231 0.000 0.881 1017 V CB 1.732 32.778 31.823 -1.295 0.000 0.983 1017 V HN 0.833 nan 8.190 nan 0.000 0.445 1018 T N 5.809 119.748 114.554 -1.025 0.000 2.928 1018 T HA 0.690 4.995 4.350 -0.075 0.000 0.296 1018 T C -0.633 173.739 174.700 -0.546 0.000 1.000 1018 T CA -0.227 61.386 62.100 -0.813 0.000 0.989 1018 T CB 1.361 69.730 68.868 -0.831 0.000 1.005 1018 T HN 0.373 nan 8.240 nan 0.000 0.442 1019 I N 3.159 123.363 120.570 -0.610 0.000 2.436 1019 I HA 0.527 4.652 4.170 -0.075 0.000 0.289 1019 I C 0.426 176.123 176.117 -0.701 0.000 1.010 1019 I CA -0.632 60.233 61.300 -0.725 0.000 1.098 1019 I CB 2.169 39.431 38.000 -1.231 0.000 1.266 1019 I HN 0.716 nan 8.210 nan 0.000 0.434 1020 T N 2.048 116.292 114.554 -0.518 0.000 2.912 1020 T HA 0.562 4.867 4.350 -0.075 0.000 0.288 1020 T C -0.692 173.753 174.700 -0.425 0.000 1.030 1020 T CA -0.913 60.926 62.100 -0.434 0.000 1.020 1020 T CB 1.680 70.408 68.868 -0.232 0.000 1.056 1020 T HN 0.485 nan 8.240 nan 0.000 0.480 1021 N N 2.853 121.302 118.700 -0.418 0.000 2.480 1021 N HA 0.255 4.950 4.740 -0.075 0.000 0.289 1021 N C -1.589 173.858 175.510 -0.105 0.000 1.073 1021 N CA -0.655 52.221 53.050 -0.289 0.000 0.885 1021 N CB 1.986 40.174 38.487 -0.499 0.000 1.421 1021 N HN 0.662 nan 8.380 nan 0.000 0.503 1022 N N 2.061 120.744 118.700 -0.029 0.000 2.444 1022 N HA 0.199 4.894 4.740 -0.075 0.000 0.262 1022 N C 0.777 176.334 175.510 0.078 0.000 0.974 1022 N CA -0.333 52.738 53.050 0.036 0.000 0.933 1022 N CB 0.954 39.452 38.487 0.018 0.000 1.137 1022 N HN 0.317 nan 8.380 nan 0.000 0.498 1023 R N 2.953 123.532 120.500 0.132 0.000 2.237 1023 R HA 0.044 4.339 4.340 -0.075 0.000 0.219 1023 R C 1.249 177.621 176.300 0.121 0.000 1.080 1023 R CA 0.546 56.739 56.100 0.155 0.000 0.995 1023 R CB -0.206 30.223 30.300 0.216 0.000 0.875 1023 R HN 0.622 nan 8.270 nan 0.000 0.462 1024 L N 0.499 121.782 121.223 0.099 0.000 2.509 1024 L HA -0.028 4.267 4.340 -0.075 0.000 0.222 1024 L C 0.825 177.727 176.870 0.053 0.000 1.123 1024 L CA 0.608 55.493 54.840 0.076 0.000 0.856 1024 L CB -0.095 42.005 42.059 0.069 0.000 0.985 1024 L HN 0.289 nan 8.230 nan 0.000 0.456 1025 N N -1.544 117.184 118.700 0.046 0.000 3.067 1025 N HA 0.071 4.766 4.740 -0.075 0.000 0.213 1025 N C -0.235 175.288 175.510 0.022 0.000 1.522 1025 N CA -0.559 52.508 53.050 0.029 0.000 1.273 1025 N CB 0.211 38.708 38.487 0.016 0.000 0.931 1025 N HN -0.080 nan 8.380 nan 0.000 0.799 1026 N N -0.902 117.801 118.700 0.005 0.000 2.335 1026 N HA 0.518 5.213 4.740 -0.075 0.000 0.304 1026 N C -1.634 173.861 175.510 -0.025 0.000 1.135 1026 N CA -0.770 52.274 53.050 -0.011 0.000 0.817 1026 N CB 2.233 40.698 38.487 -0.036 0.000 1.294 1026 N HN 0.377 nan 8.380 nan 0.000 0.497 1027 S N 0.574 116.262 115.700 -0.020 0.000 2.541 1027 S HA 0.428 4.853 4.470 -0.075 0.000 0.283 1027 S C -0.983 173.548 174.600 -0.115 0.000 1.196 1027 S CA -0.533 57.632 58.200 -0.059 0.000 1.062 1027 S CB 0.270 63.507 63.200 0.062 0.000 1.009 1027 S HN 0.369 nan 8.310 nan 0.000 0.502 1028 K N 2.917 123.194 120.400 -0.204 0.000 2.427 1028 K HA 0.525 4.800 4.320 -0.075 0.000 0.252 1028 K C -1.241 175.160 176.600 -0.332 0.000 0.931 1028 K CA -0.529 55.594 56.287 -0.274 0.000 0.793 1028 K CB 2.196 34.519 32.500 -0.295 0.000 1.211 1028 K HN 0.637 nan 8.250 nan 0.000 0.426 1029 I N 2.864 123.220 120.570 -0.356 0.000 2.404 1029 I HA 0.388 4.513 4.170 -0.075 0.000 0.293 1029 I C -1.457 174.394 176.117 -0.443 0.000 0.992 1029 I CA -0.696 60.400 61.300 -0.340 0.000 1.149 1029 I CB 0.727 38.588 38.000 -0.232 0.000 1.315 1029 I HN 0.571 nan 8.210 nan 0.000 0.446 1030 Y N 6.878 126.911 120.300 -0.445 0.000 2.446 1030 Y HA 0.575 5.080 4.550 -0.076 0.000 0.338 1030 Y C -0.194 175.345 175.900 -0.603 0.000 1.055 1030 Y CA -1.025 56.797 58.100 -0.463 0.000 1.101 1030 Y CB 1.818 40.008 38.460 -0.450 0.000 1.221 1030 Y HN 0.231 nan 8.280 nan 0.000 0.460 1031 I N 2.920 123.220 120.570 -0.449 0.000 2.466 1031 I HA 0.184 4.309 4.170 -0.075 0.000 0.289 1031 I C -0.434 175.412 176.117 -0.452 0.000 1.026 1031 I CA -1.059 59.884 61.300 -0.595 0.000 1.078 1031 I CB 1.506 38.930 38.000 -0.961 0.000 1.249 1031 I HN 0.778 nan 8.210 nan 0.000 0.429 1032 N N 4.845 123.230 118.700 -0.526 0.000 2.716 1032 N HA -0.215 4.480 4.740 -0.075 0.000 0.250 1032 N C 1.116 176.056 175.510 -0.951 0.000 1.033 1032 N CA 1.349 53.908 53.050 -0.818 0.000 0.727 1032 N CB -1.019 37.258 38.487 -0.350 0.000 0.950 1032 N HN 1.152 nan 8.380 nan 0.000 0.541 1033 G N -1.183 107.242 108.800 -0.625 0.000 2.179 1033 G HA2 -0.381 3.534 3.960 -0.075 0.000 0.260 1033 G HA3 -0.381 3.534 3.960 -0.075 0.000 0.260 1033 G C 0.122 174.961 174.900 -0.101 0.000 0.977 1033 G CA 0.590 45.485 45.100 -0.341 0.000 0.641 1033 G HN 0.677 nan 8.290 nan 0.000 0.533 1034 R N -0.038 120.402 120.500 -0.101 0.000 2.393 1034 R HA 0.632 4.927 4.340 -0.075 0.000 0.310 1034 R C 0.196 176.448 176.300 -0.080 0.000 0.968 1034 R CA -0.974 55.107 56.100 -0.032 0.000 0.867 1034 R CB 0.691 30.948 30.300 -0.072 0.000 1.124 1034 R HN 0.237 nan 8.270 nan 0.000 0.450 1035 L N 5.694 126.818 121.223 -0.165 0.000 2.499 1035 L HA 0.034 4.329 4.340 -0.075 0.000 0.273 1035 L C 0.208 176.875 176.870 -0.340 0.000 1.195 1035 L CA 0.688 55.193 54.840 -0.559 0.000 0.882 1035 L CB 0.613 42.325 42.059 -0.579 0.000 1.133 1035 L HN 0.760 nan 8.230 nan 0.000 0.483 1036 I N 2.008 122.359 120.570 -0.364 0.000 3.443 1036 I HA 0.291 4.416 4.170 -0.075 0.000 0.277 1036 I C -0.005 176.020 176.117 -0.155 0.000 1.169 1036 I CA 0.424 61.604 61.300 -0.201 0.000 1.419 1036 I CB -0.384 37.514 38.000 -0.169 0.000 1.331 1036 I HN 0.631 nan 8.210 nan 0.000 0.458 1037 D N 0.941 121.222 120.400 -0.198 0.000 2.947 1037 D HA 0.417 5.012 4.640 -0.075 0.000 0.224 1037 D C -1.146 175.051 176.300 -0.172 0.000 1.230 1037 D CA -0.253 53.667 54.000 -0.133 0.000 0.871 1037 D CB 1.546 42.309 40.800 -0.062 0.000 1.671 1037 D HN 0.171 nan 8.370 nan 0.000 0.507 1038 Q N 1.867 121.589 119.800 -0.130 0.000 2.331 1038 Q HA 0.663 4.958 4.340 -0.075 0.000 0.272 1038 Q C -1.223 174.739 176.000 -0.063 0.000 1.062 1038 Q CA -1.062 54.670 55.803 -0.118 0.000 0.806 1038 Q CB 2.639 31.291 28.738 -0.143 0.000 1.312 1038 Q HN 0.034 nan 8.270 nan 0.000 0.431 1039 K N 2.071 122.448 120.400 -0.038 0.000 2.469 1039 K HA 0.554 4.829 4.320 -0.075 0.000 0.254 1039 K C -2.846 173.756 176.600 0.002 0.000 0.939 1039 K CA -2.087 54.193 56.287 -0.010 0.000 0.812 1039 K CB 2.260 34.765 32.500 0.009 0.000 1.301 1039 K HN 0.559 nan 8.250 nan 0.000 0.433 1040 P HA 0.230 nan 4.420 nan 0.000 0.271 1040 P C 0.335 177.655 177.300 0.034 0.000 1.216 1040 P CA -0.153 62.957 63.100 0.017 0.000 0.776 1040 P CB 0.397 32.106 31.700 0.014 0.000 0.881 1041 I N -0.615 119.982 120.570 0.045 0.000 4.160 1041 I HA 0.119 4.244 4.170 -0.075 0.000 0.325 1041 I C 1.356 177.516 176.117 0.071 0.000 1.455 1041 I CA -0.190 61.149 61.300 0.064 0.000 1.142 1041 I CB -0.024 38.028 38.000 0.086 0.000 1.262 1041 I HN 0.111 nan 8.210 nan 0.000 0.483 1042 S N 1.960 117.696 115.700 0.059 0.000 2.447 1042 S HA -0.161 4.264 4.470 -0.075 0.000 0.233 1042 S C 1.681 176.318 174.600 0.063 0.000 1.006 1042 S CA 1.285 59.524 58.200 0.064 0.000 0.957 1042 S CB -0.777 62.453 63.200 0.051 0.000 0.773 1042 S HN 0.741 nan 8.310 nan 0.000 0.507 1043 N N 1.220 119.952 118.700 0.054 0.000 2.457 1043 N HA 0.041 4.736 4.740 -0.075 0.000 0.180 1043 N C 0.071 175.615 175.510 0.058 0.000 1.050 1043 N CA 0.072 53.151 53.050 0.049 0.000 0.906 1043 N CB -0.760 37.749 38.487 0.037 0.000 0.968 1043 N HN 0.325 nan 8.380 nan 0.000 0.445 1044 L N 1.130 122.395 121.223 0.070 0.000 2.453 1044 L HA 0.316 4.611 4.340 -0.075 0.000 0.272 1044 L C 1.484 178.412 176.870 0.096 0.000 1.182 1044 L CA 0.157 55.046 54.840 0.081 0.000 0.858 1044 L CB 0.803 42.919 42.059 0.095 0.000 1.120 1044 L HN 0.188 nan 8.230 nan 0.000 0.474 1045 G N 2.391 111.245 108.800 0.090 0.000 2.975 1045 G HA2 0.021 3.936 3.960 -0.075 0.000 0.159 1045 G HA3 0.021 3.936 3.960 -0.075 0.000 0.159 1045 G C 0.051 175.022 174.900 0.119 0.000 1.525 1045 G CA -0.518 44.639 45.100 0.096 0.000 1.075 1045 G HN 0.638 nan 8.290 nan 0.000 0.574 1046 N N 0.382 119.144 118.700 0.104 0.000 2.440 1046 N HA 0.043 4.738 4.740 -0.075 0.000 0.265 1046 N C -0.613 174.984 175.510 0.145 0.000 1.239 1046 N CA 0.131 53.248 53.050 0.111 0.000 0.909 1046 N CB 0.166 38.698 38.487 0.075 0.000 1.066 1046 N HN 0.134 nan 8.380 nan 0.000 0.474 1047 I N 3.350 124.047 120.570 0.211 0.000 2.330 1047 I HA 0.109 4.234 4.170 -0.075 0.000 0.289 1047 I C -0.055 176.253 176.117 0.318 0.000 1.001 1047 I CA -0.572 60.884 61.300 0.260 0.000 1.193 1047 I CB 1.082 39.263 38.000 0.302 0.000 1.345 1047 I HN 0.477 nan 8.210 nan 0.000 0.461 1048 H N 6.156 125.298 119.070 0.120 0.000 2.718 1048 H HA 0.637 5.148 4.556 -0.075 0.000 0.295 1048 H C -0.333 175.019 175.328 0.040 0.000 1.051 1048 H CA -0.670 55.425 56.048 0.078 0.000 1.260 1048 H CB 0.943 30.721 29.762 0.027 0.000 1.403 1048 H HN 0.784 nan 8.280 nan 0.000 0.488 1049 A N 3.415 126.408 122.820 0.289 0.000 2.246 1049 A HA 0.322 4.597 4.320 -0.075 0.000 0.291 1049 A C 0.275 177.848 177.584 -0.017 0.000 1.103 1049 A CA -0.477 51.585 52.037 0.043 0.000 0.844 1049 A CB 0.850 19.850 19.000 0.001 0.000 1.136 1049 A HN 0.627 nan 8.150 nan 0.000 0.500 1050 S N -0.807 114.795 115.700 -0.162 0.000 2.593 1050 S HA 0.061 4.486 4.470 -0.075 0.000 0.269 1050 S C 0.892 175.447 174.600 -0.075 0.000 1.334 1050 S CA -0.476 57.633 58.200 -0.151 0.000 1.015 1050 S CB -0.006 63.066 63.200 -0.213 0.000 0.912 1050 S HN 0.596 nan 8.310 nan 0.000 0.541 1051 N N 2.377 121.047 118.700 -0.050 0.000 2.457 1051 N HA 0.062 4.757 4.740 -0.075 0.000 0.180 1051 N C -0.504 174.998 175.510 -0.014 0.000 1.050 1051 N CA 0.544 53.590 53.050 -0.008 0.000 0.906 1051 N CB -0.422 38.066 38.487 0.001 0.000 0.968 1051 N HN 0.427 nan 8.380 nan 0.000 0.445 1052 N N -0.040 118.627 118.700 -0.055 0.000 2.335 1052 N HA 0.457 5.152 4.740 -0.075 0.000 0.304 1052 N C -0.720 174.719 175.510 -0.119 0.000 1.135 1052 N CA -0.458 52.562 53.050 -0.049 0.000 0.817 1052 N CB 1.979 40.439 38.487 -0.045 0.000 1.294 1052 N HN -0.110 nan 8.380 nan 0.000 0.497 1053 I N 1.177 121.698 120.570 -0.081 0.000 2.362 1053 I HA 0.353 4.478 4.170 -0.075 0.000 0.289 1053 I C -0.482 175.538 176.117 -0.161 0.000 0.994 1053 I CA -0.709 60.465 61.300 -0.210 0.000 1.158 1053 I CB 1.378 39.296 38.000 -0.136 0.000 1.315 1053 I HN 0.262 nan 8.210 nan 0.000 0.451 1054 M N 8.009 127.447 119.600 -0.270 0.000 2.066 1054 M HA 0.443 4.878 4.480 -0.075 0.000 0.340 1054 M C -1.511 174.644 176.300 -0.242 0.000 1.053 1054 M CA -0.112 55.102 55.300 -0.142 0.000 0.983 1054 M CB 0.244 32.773 32.600 -0.119 0.000 1.520 1054 M HN 0.252 nan 8.290 nan 0.000 0.428 1055 F N 5.500 125.387 119.950 -0.104 0.000 2.404 1055 F HA 0.513 4.995 4.527 -0.075 0.000 0.359 1055 F C 0.322 176.091 175.800 -0.051 0.000 1.134 1055 F CA -0.092 57.851 58.000 -0.095 0.000 1.160 1055 F CB 0.403 39.336 39.000 -0.112 0.000 1.186 1055 F HN 0.496 nan 8.300 nan 0.000 0.526 1056 K N 3.262 123.708 120.400 0.078 0.000 2.610 1056 K HA 0.343 4.618 4.320 -0.075 0.000 0.267 1056 K C -1.957 174.688 176.600 0.075 0.000 0.943 1056 K CA -0.885 55.442 56.287 0.066 0.000 0.862 1056 K CB 1.294 33.818 32.500 0.040 0.000 1.376 1056 K HN 0.359 nan 8.250 nan 0.000 0.412 1057 L N 3.286 124.566 121.223 0.095 0.000 2.369 1057 L HA 0.255 4.550 4.340 -0.075 0.000 0.279 1057 L C -0.268 176.662 176.870 0.099 0.000 1.108 1057 L CA 0.503 55.430 54.840 0.145 0.000 0.852 1057 L CB 0.591 42.705 42.059 0.091 0.000 1.169 1057 L HN 0.450 nan 8.230 nan 0.000 0.452 1058 D N 2.767 123.247 120.400 0.133 0.000 2.505 1058 D HA 0.499 5.094 4.640 -0.075 0.000 0.250 1058 D C 0.752 177.116 176.300 0.107 0.000 1.164 1058 D CA 0.246 54.292 54.000 0.077 0.000 0.870 1058 D CB 1.416 42.239 40.800 0.039 0.000 1.160 1058 D HN 0.632 nan 8.370 nan 0.000 0.549 1059 G N 2.965 111.804 108.800 0.065 0.000 2.141 1059 G HA2 -0.228 3.687 3.960 -0.075 0.000 0.242 1059 G HA3 -0.228 3.687 3.960 -0.075 0.000 0.242 1059 G C 0.481 175.422 174.900 0.068 0.000 0.982 1059 G CA 0.025 45.166 45.100 0.068 0.000 0.662 1059 G HN 0.688 nan 8.290 nan 0.000 0.527 1060 C N 1.110 120.402 119.300 -0.014 0.000 2.394 1060 C HA 0.642 5.057 4.460 -0.075 0.000 0.362 1060 C C 1.999 176.913 174.990 -0.126 0.000 1.268 1060 C CA -0.329 58.566 59.018 -0.204 0.000 1.828 1060 C CB -0.186 27.180 27.740 -0.623 0.000 2.442 1060 C HN 0.537 nan 8.230 nan 0.000 0.549 1061 R N 1.812 122.266 120.500 -0.076 0.000 2.240 1061 R HA 0.033 4.328 4.340 -0.075 0.000 0.203 1061 R C 0.152 176.432 176.300 -0.034 0.000 1.011 1061 R CA 0.319 56.397 56.100 -0.037 0.000 1.007 1061 R CB -0.047 30.250 30.300 -0.005 0.000 0.911 1061 R HN 0.722 nan 8.270 nan 0.000 0.468 1062 D N 1.018 121.390 120.400 -0.046 0.000 2.352 1062 D HA -0.034 4.561 4.640 -0.075 0.000 0.245 1062 D C 1.107 177.383 176.300 -0.040 0.000 1.224 1062 D CA 0.089 54.092 54.000 0.006 0.000 0.879 1062 D CB 1.328 42.161 40.800 0.055 0.000 1.057 1062 D HN 0.120 nan 8.370 nan 0.000 0.491 1063 T N 1.066 115.571 114.554 -0.081 0.000 2.929 1063 T HA -0.175 4.129 4.350 -0.075 0.000 0.271 1063 T C 1.238 175.787 174.700 -0.252 0.000 1.085 1063 T CA 0.992 62.968 62.100 -0.208 0.000 1.125 1063 T CB -0.263 68.419 68.868 -0.310 0.000 0.874 1063 T HN 0.527 nan 8.240 nan 0.000 0.494 1064 H N 0.124 119.232 119.070 0.063 0.000 2.526 1064 H HA 0.376 4.887 4.556 -0.075 0.000 0.274 1064 H C 0.956 176.381 175.328 0.162 0.000 0.999 1064 H CA -0.305 55.816 56.048 0.122 0.000 1.157 1064 H CB 0.157 29.991 29.762 0.121 0.000 1.407 1064 H HN 0.300 nan 8.280 nan 0.000 0.568 1065 R N 1.418 121.997 120.500 0.131 0.000 2.590 1065 R HA 0.131 4.426 4.340 -0.075 0.000 0.274 1065 R C -0.809 175.546 176.300 0.092 0.000 1.061 1065 R CA 0.039 56.138 56.100 -0.001 0.000 1.081 1065 R CB 0.176 30.384 30.300 -0.153 0.000 0.984 1065 R HN 0.151 nan 8.270 nan 0.000 0.448 1066 Y N 1.842 122.119 120.300 -0.039 0.000 2.689 1066 Y HA 0.638 5.143 4.550 -0.075 0.000 0.333 1066 Y C -0.953 174.855 175.900 -0.154 0.000 1.190 1066 Y CA -1.659 56.342 58.100 -0.165 0.000 1.063 1066 Y CB 0.999 39.250 38.460 -0.349 0.000 1.294 1066 Y HN 0.481 nan 8.280 nan 0.000 0.466 1067 I N -2.091 118.454 120.570 -0.041 0.000 2.969 1067 I HA 0.716 4.841 4.170 -0.075 0.000 0.307 1067 I C -2.071 173.972 176.117 -0.123 0.000 1.149 1067 I CA -1.215 60.071 61.300 -0.023 0.000 1.008 1067 I CB 2.522 40.563 38.000 0.069 0.000 1.232 1067 I HN 0.695 nan 8.210 nan 0.000 0.435 1068 W N 4.175 125.449 121.300 -0.044 0.000 2.551 1068 W HA 0.804 5.420 4.660 -0.074 0.000 0.330 1068 W C -0.555 176.025 176.519 0.102 0.000 1.063 1068 W CA -0.530 56.783 57.345 -0.054 0.000 1.222 1068 W CB 1.843 31.145 29.460 -0.263 0.000 1.349 1068 W HN 0.415 nan 8.180 nan 0.000 0.536 1069 I N 3.150 124.055 120.570 0.558 0.000 2.894 1069 I HA 0.528 4.653 4.170 -0.075 0.000 0.302 1069 I C -1.218 175.248 176.117 0.581 0.000 1.188 1069 I CA -0.972 60.703 61.300 0.625 0.000 1.014 1069 I CB 1.829 40.068 38.000 0.398 0.000 1.242 1069 I HN 0.551 nan 8.210 nan 0.000 0.430 1070 K N 4.207 124.928 120.400 0.536 0.000 2.556 1070 K HA 0.407 4.682 4.320 -0.075 0.000 0.274 1070 K C -1.404 175.413 176.600 0.362 0.000 0.966 1070 K CA -0.672 55.703 56.287 0.146 0.000 0.865 1070 K CB 1.184 33.369 32.500 -0.524 0.000 1.444 1070 K HN 0.457 nan 8.250 nan 0.000 0.433 1071 Y N -0.792 119.725 120.300 0.362 0.000 3.234 1071 Y HA -0.220 4.285 4.550 -0.076 0.000 0.207 1071 Y C -0.583 175.610 175.900 0.487 0.000 1.316 1071 Y CA -0.095 58.235 58.100 0.382 0.000 1.309 1071 Y CB -2.549 36.141 38.460 0.383 0.000 1.408 1071 Y HN 0.657 nan 8.280 nan 0.000 0.544 1072 F N 2.097 122.331 119.950 0.474 0.000 2.543 1072 F HA 0.372 4.854 4.527 -0.075 0.000 0.375 1072 F C 0.528 176.538 175.800 0.350 0.000 1.075 1072 F CA -0.046 58.232 58.000 0.463 0.000 1.225 1072 F CB 0.368 39.616 39.000 0.413 0.000 1.099 1072 F HN 0.201 nan 8.300 nan 0.000 0.561 1073 N N 5.279 123.754 118.700 -0.374 0.000 2.229 1073 N HA 0.619 5.314 4.740 -0.075 0.000 0.298 1073 N C -1.629 173.499 175.510 -0.637 0.000 1.114 1073 N CA -0.712 52.109 53.050 -0.383 0.000 0.776 1073 N CB 1.972 40.264 38.487 -0.325 0.000 1.501 1073 N HN 0.458 nan 8.380 nan 0.000 0.474 1074 L N 1.585 122.547 121.223 -0.435 0.000 2.354 1074 L HA 0.636 4.931 4.340 -0.075 0.000 0.269 1074 L C -1.283 175.296 176.870 -0.484 0.000 1.005 1074 L CA -0.720 53.977 54.840 -0.238 0.000 0.819 1074 L CB 1.234 43.358 42.059 0.110 0.000 1.311 1074 L HN 0.455 nan 8.230 nan 0.000 0.423 1075 F N -0.273 119.709 119.950 0.053 0.000 2.565 1075 F HA 0.250 4.732 4.527 -0.075 0.000 0.313 1075 F C 0.251 176.121 175.800 0.116 0.000 1.091 1075 F CA -0.964 57.074 58.000 0.062 0.000 0.915 1075 F CB 1.576 40.575 39.000 -0.001 0.000 1.208 1075 F HN 0.481 nan 8.300 nan 0.000 0.453 1076 D N 0.605 121.174 120.400 0.281 0.000 2.538 1076 D HA 0.131 4.726 4.640 -0.075 0.000 0.234 1076 D C -0.377 176.048 176.300 0.208 0.000 1.191 1076 D CA -0.181 53.958 54.000 0.231 0.000 0.828 1076 D CB -0.258 40.638 40.800 0.159 0.000 0.981 1076 D HN 0.708 nan 8.370 nan 0.000 0.490 1077 K N -1.752 118.769 120.400 0.202 0.000 2.533 1077 K HA 0.354 4.629 4.320 -0.075 0.000 0.284 1077 K C -0.915 175.712 176.600 0.044 0.000 1.025 1077 K CA -1.054 55.305 56.287 0.120 0.000 0.900 1077 K CB 1.380 33.929 32.500 0.080 0.000 1.519 1077 K HN -0.118 nan 8.250 nan 0.000 0.432 1078 E N 2.329 122.528 120.200 -0.002 0.000 2.166 1078 E HA 0.118 4.423 4.350 -0.075 0.000 0.279 1078 E C -0.635 175.888 176.600 -0.128 0.000 1.095 1078 E CA -0.474 55.876 56.400 -0.084 0.000 0.888 1078 E CB 0.430 30.099 29.700 -0.052 0.000 1.041 1078 E HN 0.411 nan 8.360 nan 0.000 0.414 1079 L N 4.462 125.545 121.223 -0.233 0.000 2.456 1079 L HA 0.019 4.313 4.340 -0.075 0.000 0.272 1079 L C 0.779 177.505 176.870 -0.241 0.000 1.189 1079 L CA -0.337 54.323 54.840 -0.300 0.000 0.846 1079 L CB 0.037 41.797 42.059 -0.499 0.000 1.111 1079 L HN 0.651 nan 8.230 nan 0.000 0.475 1080 N N 0.647 119.228 118.700 -0.197 0.000 2.413 1080 N HA 0.034 4.729 4.740 -0.075 0.000 0.266 1080 N C 0.472 175.858 175.510 -0.208 0.000 1.238 1080 N CA -0.609 52.351 53.050 -0.150 0.000 0.972 1080 N CB 0.515 38.946 38.487 -0.092 0.000 1.210 1080 N HN 0.600 nan 8.380 nan 0.000 0.547 1081 E N -0.432 119.686 120.200 -0.136 0.000 2.106 1081 E HA -0.248 4.057 4.350 -0.075 0.000 0.192 1081 E C 1.392 177.908 176.600 -0.139 0.000 0.984 1081 E CA 0.962 57.276 56.400 -0.142 0.000 0.806 1081 E CB 0.016 29.703 29.700 -0.022 0.000 0.750 1081 E HN 0.675 nan 8.360 nan 0.000 0.458 1082 K N 0.695 121.035 120.400 -0.100 0.000 2.057 1082 K HA -0.202 4.073 4.320 -0.075 0.000 0.207 1082 K C 1.880 178.417 176.600 -0.105 0.000 1.049 1082 K CA 1.684 57.922 56.287 -0.082 0.000 0.931 1082 K CB 0.013 32.475 32.500 -0.063 0.000 0.714 1082 K HN 0.107 nan 8.250 nan 0.000 0.440 1083 E N 0.421 120.535 120.200 -0.143 0.000 2.077 1083 E HA -0.177 4.128 4.350 -0.075 0.000 0.193 1083 E C 2.053 178.541 176.600 -0.188 0.000 0.989 1083 E CA 1.435 57.734 56.400 -0.168 0.000 0.800 1083 E CB -0.073 29.498 29.700 -0.215 0.000 0.746 1083 E HN 0.376 nan 8.360 nan 0.000 0.452 1084 I N 0.935 121.352 120.570 -0.254 0.000 2.286 1084 I HA -0.247 3.878 4.170 -0.075 0.000 0.245 1084 I C 2.303 178.379 176.117 -0.069 0.000 1.104 1084 I CA 1.039 62.184 61.300 -0.258 0.000 1.397 1084 I CB -0.138 37.515 38.000 -0.579 0.000 1.072 1084 I HN -0.011 nan 8.210 nan 0.000 0.417 1085 K N 0.633 120.991 120.400 -0.070 0.000 2.063 1085 K HA -0.205 4.070 4.320 -0.075 0.000 0.208 1085 K C 1.705 178.332 176.600 0.045 0.000 1.048 1085 K CA 1.665 57.975 56.287 0.039 0.000 0.928 1085 K CB -0.174 32.334 32.500 0.014 0.000 0.713 1085 K HN 0.286 nan 8.250 nan 0.000 0.442 1086 D N 0.786 121.176 120.400 -0.018 0.000 2.117 1086 D HA -0.143 4.452 4.640 -0.075 0.000 0.197 1086 D C 1.872 178.150 176.300 -0.036 0.000 0.987 1086 D CA 0.795 54.775 54.000 -0.033 0.000 0.829 1086 D CB -0.153 40.616 40.800 -0.051 0.000 0.961 1086 D HN -0.005 nan 8.370 nan 0.000 0.460 1087 L N 0.312 121.521 121.223 -0.024 0.000 2.017 1087 L HA -0.193 4.101 4.340 -0.075 0.000 0.208 1087 L C 2.259 179.037 176.870 -0.153 0.000 1.073 1087 L CA 1.400 56.227 54.840 -0.021 0.000 0.745 1087 L CB -0.958 41.150 42.059 0.083 0.000 0.894 1087 L HN 0.062 nan 8.230 nan 0.000 0.432 1088 Y N 0.284 120.380 120.300 -0.339 0.000 2.128 1088 Y HA -0.296 4.208 4.550 -0.076 0.000 0.284 1088 Y C 2.451 178.257 175.900 -0.157 0.000 1.154 1088 Y CA 2.079 59.888 58.100 -0.485 0.000 1.149 1088 Y CB -0.578 37.773 38.460 -0.181 0.000 0.976 1088 Y HN 0.368 nan 8.280 nan 0.000 0.505 1089 D N -0.592 119.707 120.400 -0.168 0.000 2.084 1089 D HA -0.179 4.416 4.640 -0.075 0.000 0.194 1089 D C 1.767 177.964 176.300 -0.171 0.000 0.990 1089 D CA 1.693 55.563 54.000 -0.216 0.000 0.826 1089 D CB -0.280 40.454 40.800 -0.111 0.000 0.971 1089 D HN 0.306 nan 8.370 nan 0.000 0.453 1090 N N 0.115 118.741 118.700 -0.124 0.000 2.142 1090 N HA -0.100 4.595 4.740 -0.075 0.000 0.186 1090 N C 1.572 176.996 175.510 -0.142 0.000 1.023 1090 N CA 0.763 53.745 53.050 -0.114 0.000 0.852 1090 N CB -0.234 38.202 38.487 -0.085 0.000 0.998 1090 N HN 0.440 nan 8.380 nan 0.000 0.424 1091 Q N -0.271 119.449 119.800 -0.133 0.000 2.451 1091 Q HA 0.105 4.400 4.340 -0.075 0.000 0.206 1091 Q C 1.299 177.176 176.000 -0.204 0.000 0.947 1091 Q CA 0.670 56.380 55.803 -0.156 0.000 0.937 1091 Q CB 0.259 29.024 28.738 0.045 0.000 1.025 1091 Q HN 0.444 nan 8.270 nan 0.000 0.511 1092 S N -0.983 114.609 115.700 -0.181 0.000 2.514 1092 S HA 0.088 4.513 4.470 -0.075 0.000 0.223 1092 S C 0.678 175.156 174.600 -0.204 0.000 1.046 1092 S CA -0.459 57.587 58.200 -0.257 0.000 0.914 1092 S CB 0.070 63.131 63.200 -0.231 0.000 0.807 1092 S HN 0.116 nan 8.310 nan 0.000 0.497 1093 N N 3.710 122.304 118.700 -0.178 0.000 2.414 1093 N HA 0.299 4.994 4.740 -0.075 0.000 0.268 1093 N C -0.448 174.988 175.510 -0.123 0.000 1.286 1093 N CA 0.466 53.433 53.050 -0.139 0.000 0.896 1093 N CB 0.599 39.016 38.487 -0.118 0.000 1.093 1093 N HN 0.666 nan 8.380 nan 0.000 0.480 1094 S N -0.974 114.659 115.700 -0.112 0.000 2.570 1094 S HA 0.559 4.984 4.470 -0.075 0.000 0.270 1094 S C 0.614 175.153 174.600 -0.102 0.000 1.149 1094 S CA -0.854 57.281 58.200 -0.108 0.000 0.837 1094 S CB 1.354 64.485 63.200 -0.116 0.000 1.124 1094 S HN 0.346 nan 8.310 nan 0.000 0.465 1095 G N 0.300 109.037 108.800 -0.105 0.000 3.262 1095 G HA2 0.355 4.270 3.960 -0.075 0.000 0.228 1095 G HA3 0.355 4.270 3.960 -0.075 0.000 0.228 1095 G C -0.030 174.792 174.900 -0.129 0.000 1.197 1095 G CA -0.150 44.891 45.100 -0.098 0.000 0.819 1095 G HN 0.674 nan 8.290 nan 0.000 0.531 1096 I N 1.381 121.849 120.570 -0.169 0.000 2.378 1096 I HA 0.298 4.423 4.170 -0.075 0.000 0.291 1096 I C 0.079 176.105 176.117 -0.152 0.000 0.992 1096 I CA -0.787 60.376 61.300 -0.229 0.000 1.154 1096 I CB 1.977 39.699 38.000 -0.463 0.000 1.315 1096 I HN -0.164 nan 8.210 nan 0.000 0.448 1097 L N 6.231 127.372 121.223 -0.137 0.000 2.452 1097 L HA 0.309 4.604 4.340 -0.075 0.000 0.267 1097 L C 0.146 176.981 176.870 -0.060 0.000 1.188 1097 L CA -0.428 54.354 54.840 -0.097 0.000 0.821 1097 L CB 0.219 42.203 42.059 -0.125 0.000 1.102 1097 L HN 0.476 nan 8.230 nan 0.000 0.470 1098 K N 0.921 121.308 120.400 -0.022 0.000 2.281 1098 K HA 0.354 4.629 4.320 -0.075 0.000 0.242 1098 K C -0.809 175.800 176.600 0.014 0.000 0.971 1098 K CA -0.827 55.478 56.287 0.030 0.000 0.834 1098 K CB 1.798 34.323 32.500 0.043 0.000 1.181 1098 K HN 0.558 nan 8.250 nan 0.000 0.435 1099 D N -0.456 119.975 120.400 0.052 0.000 2.447 1099 D HA 0.010 4.605 4.640 -0.075 0.000 0.265 1099 D C 1.052 177.391 176.300 0.065 0.000 1.250 1099 D CA -0.447 53.579 54.000 0.044 0.000 1.046 1099 D CB 0.112 40.992 40.800 0.132 0.000 1.095 1099 D HN 0.384 nan 8.370 nan 0.000 0.555 1100 F N -0.637 119.188 119.950 -0.209 0.000 2.161 1100 F HA -0.024 4.457 4.527 -0.076 0.000 0.300 1100 F C 1.474 177.077 175.800 -0.328 0.000 1.089 1100 F CA 1.050 58.815 58.000 -0.392 0.000 1.282 1100 F CB -0.169 38.383 39.000 -0.746 0.000 1.010 1100 F HN 0.375 nan 8.300 nan 0.000 0.485 1101 W N -0.103 121.267 121.300 0.117 0.000 2.678 1101 W HA 0.277 4.893 4.660 -0.073 0.000 0.256 1101 W C 1.859 178.447 176.519 0.114 0.000 1.280 1101 W CA 0.676 58.032 57.345 0.019 0.000 1.345 1101 W CB -0.348 29.173 29.460 0.102 0.000 1.118 1101 W HN 0.212 nan 8.180 nan 0.000 0.629 1102 G N -0.183 108.802 108.800 0.309 0.000 2.163 1102 G HA2 -0.228 3.687 3.960 -0.075 0.000 0.213 1102 G HA3 -0.228 3.687 3.960 -0.075 0.000 0.213 1102 G C -0.145 174.905 174.900 0.249 0.000 0.991 1102 G CA -0.285 45.008 45.100 0.321 0.000 0.653 1102 G HN 0.131 nan 8.290 nan 0.000 0.518 1103 D N -0.318 120.240 120.400 0.264 0.000 2.387 1103 D HA 0.467 5.062 4.640 -0.075 0.000 0.251 1103 D C 0.534 176.910 176.300 0.125 0.000 1.141 1103 D CA -0.265 53.791 54.000 0.093 0.000 0.987 1103 D CB 0.341 41.219 40.800 0.129 0.000 1.116 1103 D HN 0.034 nan 8.370 nan 0.000 0.491 1104 Y N 0.492 120.784 120.300 -0.012 0.000 2.610 1104 Y HA 0.060 4.565 4.550 -0.075 0.000 0.332 1104 Y C 0.762 176.666 175.900 0.006 0.000 1.201 1104 Y CA -0.478 57.603 58.100 -0.032 0.000 1.465 1104 Y CB -0.205 38.231 38.460 -0.040 0.000 1.283 1104 Y HN 0.150 nan 8.280 nan 0.000 0.563 1105 L N 4.100 125.384 121.223 0.102 0.000 2.426 1105 L HA 0.204 4.498 4.340 -0.075 0.000 0.271 1105 L C -0.332 176.529 176.870 -0.015 0.000 1.169 1105 L CA 0.166 54.990 54.840 -0.026 0.000 0.836 1105 L CB 0.374 42.282 42.059 -0.252 0.000 1.112 1105 L HN 0.663 nan 8.230 nan 0.000 0.465 1106 Q N 2.743 122.588 119.800 0.075 0.000 2.423 1106 Q HA 0.356 4.651 4.340 -0.075 0.000 0.278 1106 Q C -1.503 174.485 176.000 -0.021 0.000 1.097 1106 Q CA -0.858 54.970 55.803 0.042 0.000 0.809 1106 Q CB 2.056 30.869 28.738 0.124 0.000 1.391 1106 Q HN 0.457 nan 8.270 nan 0.000 0.428 1107 Y N 0.791 121.120 120.300 0.048 0.000 2.357 1107 Y HA -0.031 4.474 4.550 -0.075 0.000 0.340 1107 Y C 0.490 176.401 175.900 0.019 0.000 1.260 1107 Y CA 0.505 58.626 58.100 0.035 0.000 1.425 1107 Y CB 0.553 39.023 38.460 0.018 0.000 1.326 1107 Y HN 0.668 nan 8.280 nan 0.000 0.580 1108 D N 0.036 120.551 120.400 0.193 0.000 2.837 1108 D HA -0.240 4.355 4.640 -0.075 0.000 0.230 1108 D C -0.394 175.903 176.300 -0.004 0.000 1.152 1108 D CA 0.980 55.031 54.000 0.085 0.000 0.736 1108 D CB -0.840 40.007 40.800 0.078 0.000 1.084 1108 D HN 0.497 nan 8.370 nan 0.000 0.429 1109 K N 0.537 120.888 120.400 -0.082 0.000 2.507 1109 K HA 0.383 4.658 4.320 -0.075 0.000 0.252 1109 K C -2.851 173.465 176.600 -0.472 0.000 0.943 1109 K CA -1.799 54.320 56.287 -0.280 0.000 0.808 1109 K CB 2.332 34.613 32.500 -0.365 0.000 1.142 1109 K HN -0.271 nan 8.250 nan 0.000 0.426 1110 P HA 0.079 nan 4.420 nan 0.000 0.271 1110 P C -1.392 175.658 177.300 -0.418 0.000 1.216 1110 P CA 0.071 62.999 63.100 -0.286 0.000 0.771 1110 P CB 0.284 31.856 31.700 -0.214 0.000 0.864 1111 Y N 1.080 121.371 120.300 -0.014 0.000 2.442 1111 Y HA 0.370 4.875 4.550 -0.073 0.000 0.344 1111 Y C 0.231 176.065 175.900 -0.111 0.000 0.976 1111 Y CA -0.631 57.487 58.100 0.031 0.000 1.040 1111 Y CB 1.348 39.984 38.460 0.293 0.000 1.228 1111 Y HN 0.281 nan 8.280 nan 0.000 0.451 1112 Y N 2.769 123.182 120.300 0.188 0.000 2.304 1112 Y HA 0.392 4.896 4.550 -0.076 0.000 0.327 1112 Y C 0.145 175.978 175.900 -0.112 0.000 1.209 1112 Y CA -0.616 57.500 58.100 0.026 0.000 1.299 1112 Y CB 0.658 39.150 38.460 0.053 0.000 1.249 1112 Y HN 0.303 nan 8.280 nan 0.000 0.519 1113 M N 3.829 123.374 119.600 -0.091 0.000 2.363 1113 M HA 0.350 4.785 4.480 -0.075 0.000 0.343 1113 M C -1.222 175.018 176.300 -0.099 0.000 1.165 1113 M CA -0.946 54.195 55.300 -0.264 0.000 1.046 1113 M CB 1.355 33.606 32.600 -0.582 0.000 1.648 1113 M HN 0.557 nan 8.290 nan 0.000 0.452 1114 L N 4.010 125.181 121.223 -0.087 0.000 2.349 1114 L HA 0.485 4.780 4.340 -0.075 0.000 0.278 1114 L C -0.584 176.240 176.870 -0.077 0.000 0.996 1114 L CA -0.057 54.720 54.840 -0.105 0.000 0.825 1114 L CB 1.156 43.074 42.059 -0.235 0.000 1.243 1114 L HN 0.699 nan 8.230 nan 0.000 0.412 1115 N N 5.005 123.561 118.700 -0.240 0.000 2.426 1115 N HA 0.226 4.921 4.740 -0.075 0.000 0.275 1115 N C 0.540 175.857 175.510 -0.321 0.000 1.019 1115 N CA -0.285 52.397 53.050 -0.614 0.000 0.941 1115 N CB 1.411 39.420 38.487 -0.796 0.000 1.123 1115 N HN 0.843 nan 8.380 nan 0.000 0.486 1116 L N 3.324 124.374 121.223 -0.288 0.000 2.313 1116 L HA -0.059 4.236 4.340 -0.075 0.000 0.214 1116 L C 1.661 178.493 176.870 -0.064 0.000 1.119 1116 L CA 0.531 55.288 54.840 -0.138 0.000 0.809 1116 L CB -0.306 41.688 42.059 -0.109 0.000 0.933 1116 L HN 0.631 nan 8.230 nan 0.000 0.449 1117 Y N 0.405 120.624 120.300 -0.134 0.000 2.286 1117 Y HA -0.114 4.391 4.550 -0.074 0.000 0.293 1117 Y C 0.598 176.491 175.900 -0.011 0.000 1.124 1117 Y CA 1.100 59.190 58.100 -0.015 0.000 1.178 1117 Y CB 0.415 38.941 38.460 0.110 0.000 1.010 1117 Y HN 0.072 nan 8.280 nan 0.000 0.536 1118 D N 0.423 120.854 120.400 0.053 0.000 2.634 1118 D HA 0.187 4.782 4.640 -0.075 0.000 0.318 1118 D C -1.952 174.274 176.300 -0.124 0.000 1.226 1118 D CA -1.562 52.395 54.000 -0.072 0.000 0.899 1118 D CB 0.686 41.359 40.800 -0.212 0.000 1.025 1118 D HN 0.209 nan 8.370 nan 0.000 0.501 1119 P HA -0.088 nan 4.420 nan 0.000 0.226 1119 P C 0.807 178.063 177.300 -0.073 0.000 1.153 1119 P CA 0.616 63.657 63.100 -0.098 0.000 0.777 1119 P CB 0.579 32.230 31.700 -0.081 0.000 0.794 1120 N N -0.043 118.621 118.700 -0.060 0.000 2.276 1120 N HA 0.065 4.760 4.740 -0.075 0.000 0.212 1120 N C 0.016 175.513 175.510 -0.021 0.000 1.127 1120 N CA 0.051 53.086 53.050 -0.026 0.000 0.834 1120 N CB -0.027 38.450 38.487 -0.016 0.000 1.014 1120 N HN 0.139 nan 8.380 nan 0.000 0.491 1121 K N -0.177 120.185 120.400 -0.063 0.000 2.295 1121 K HA 0.323 4.598 4.320 -0.075 0.000 0.239 1121 K C -1.089 175.489 176.600 -0.036 0.000 0.991 1121 K CA -0.888 55.332 56.287 -0.111 0.000 0.845 1121 K CB 1.781 34.154 32.500 -0.212 0.000 1.197 1121 K HN 0.036 nan 8.250 nan 0.000 0.441 1122 Y N -2.970 117.275 120.300 -0.091 0.000 2.605 1122 Y HA 0.579 5.084 4.550 -0.075 0.000 0.343 1122 Y C -0.710 175.129 175.900 -0.101 0.000 1.036 1122 Y CA -1.482 56.569 58.100 -0.082 0.000 1.065 1122 Y CB 0.562 38.983 38.460 -0.065 0.000 1.288 1122 Y HN 0.116 nan 8.280 nan 0.000 0.481 1123 V N 2.686 122.651 119.914 0.085 0.000 2.498 1123 V HA 0.315 4.390 4.120 -0.075 0.000 0.279 1123 V C -0.531 175.558 176.094 -0.009 0.000 1.048 1123 V CA 0.182 62.475 62.300 -0.013 0.000 0.967 1123 V CB 0.845 32.667 31.823 -0.001 0.000 0.988 1123 V HN 0.856 nan 8.190 nan 0.000 0.473 1124 D N 2.153 122.388 120.400 -0.275 0.000 2.610 1124 D HA 0.589 5.184 4.640 -0.075 0.000 0.271 1124 D C -1.447 174.725 176.300 -0.214 0.000 1.174 1124 D CA -0.311 53.540 54.000 -0.248 0.000 0.949 1124 D CB 2.571 43.131 40.800 -0.399 0.000 1.430 1124 D HN 0.383 nan 8.370 nan 0.000 0.467 1125 V N 1.732 121.627 119.914 -0.031 0.000 2.656 1125 V HA 0.485 4.560 4.120 -0.075 0.000 0.307 1125 V C -1.114 175.025 176.094 0.076 0.000 1.051 1125 V CA -0.729 61.600 62.300 0.048 0.000 0.893 1125 V CB 1.762 33.571 31.823 -0.024 0.000 0.999 1125 V HN 0.578 nan 8.190 nan 0.000 0.426 1126 N N 5.455 124.098 118.700 -0.095 0.000 2.801 1126 N HA 0.326 5.021 4.740 -0.075 0.000 0.235 1126 N C -0.502 174.799 175.510 -0.347 0.000 1.069 1126 N CA 0.073 52.928 53.050 -0.325 0.000 0.946 1126 N CB -0.169 37.771 38.487 -0.912 0.000 1.212 1126 N HN 0.939 nan 8.380 nan 0.000 0.509 1127 N N -0.487 118.099 118.700 -0.188 0.000 4.161 1127 N HA -0.212 4.483 4.740 -0.075 0.000 0.323 1127 N C -0.298 175.100 175.510 -0.187 0.000 2.153 1127 N CA 0.877 53.830 53.050 -0.161 0.000 3.017 1127 N CB -0.095 38.312 38.487 -0.133 0.000 0.293 1127 N HN 0.333 nan 8.380 nan 0.000 0.790 1128 V N -0.202 119.584 119.914 -0.213 0.000 3.214 1128 V HA 0.946 5.021 4.120 -0.075 0.000 0.306 1128 V C 1.371 177.390 176.094 -0.125 0.000 1.078 1128 V CA 0.237 62.376 62.300 -0.268 0.000 1.077 1128 V CB 0.767 32.251 31.823 -0.565 0.000 1.121 1128 V HN 1.562 nan 8.190 nan 0.000 0.468 1129 G N 0.882 109.638 108.800 -0.073 0.000 2.756 1129 G HA2 -0.111 3.804 3.960 -0.075 0.000 0.678 1129 G HA3 -0.111 3.804 3.960 -0.075 0.000 0.678 1129 G C -0.218 174.675 174.900 -0.011 0.000 1.349 1129 G CA 0.015 45.106 45.100 -0.015 0.000 0.847 1129 G HN 1.481 nan 8.290 nan 0.000 0.548 1130 I N 0.388 120.959 120.570 0.002 0.000 2.756 1130 I HA 0.078 4.203 4.170 -0.075 0.000 0.262 1130 I C 2.454 178.579 176.117 0.013 0.000 1.225 1130 I CA 1.334 62.638 61.300 0.008 0.000 1.472 1130 I CB -0.210 37.793 38.000 0.005 0.000 1.094 1130 I HN 0.527 nan 8.210 nan 0.000 0.454 1131 R N -0.330 120.175 120.500 0.008 0.000 2.300 1131 R HA 0.245 4.540 4.340 -0.075 0.000 0.199 1131 R C 1.117 177.439 176.300 0.037 0.000 0.920 1131 R CA 0.349 56.462 56.100 0.020 0.000 1.046 1131 R CB 0.046 30.351 30.300 0.009 0.000 0.984 1131 R HN 0.379 nan 8.270 nan 0.000 0.493 1132 G N 0.089 108.888 108.800 -0.002 0.000 2.537 1132 G HA2 0.406 4.321 3.960 -0.075 0.000 0.297 1132 G HA3 0.406 4.321 3.960 -0.075 0.000 0.297 1132 G C -0.961 173.955 174.900 0.026 0.000 1.310 1132 G CA -0.377 44.676 45.100 -0.078 0.000 1.027 1132 G HN 0.190 nan 8.290 nan 0.000 0.505 1133 Y N -2.841 117.472 120.300 0.023 0.000 2.592 1133 Y HA 0.660 5.166 4.550 -0.074 0.000 0.334 1133 Y C -0.698 175.299 175.900 0.162 0.000 1.136 1133 Y CA -1.996 56.141 58.100 0.060 0.000 1.042 1133 Y CB 1.039 39.514 38.460 0.026 0.000 1.325 1133 Y HN 0.368 nan 8.280 nan 0.000 0.457 1134 M N 3.465 123.283 119.600 0.363 0.000 2.274 1134 M HA 0.433 4.868 4.480 -0.075 0.000 0.344 1134 M C -0.781 175.864 176.300 0.575 0.000 1.161 1134 M CA -0.534 54.982 55.300 0.359 0.000 1.126 1134 M CB 0.402 33.162 32.600 0.266 0.000 1.522 1134 M HN 0.987 nan 8.290 nan 0.000 0.461 1135 Y N -0.473 119.988 120.300 0.267 0.000 2.689 1135 Y HA 0.761 5.265 4.550 -0.076 0.000 0.333 1135 Y C -2.006 173.956 175.900 0.104 0.000 1.208 1135 Y CA -1.487 56.756 58.100 0.238 0.000 1.055 1135 Y CB 1.230 39.876 38.460 0.309 0.000 1.304 1135 Y HN 0.505 nan 8.280 nan 0.000 0.455 1136 L N 3.202 124.465 121.223 0.067 0.000 2.317 1136 L HA 0.598 4.893 4.340 -0.075 0.000 0.281 1136 L C -0.605 176.165 176.870 -0.167 0.000 1.024 1136 L CA -0.754 53.983 54.840 -0.173 0.000 0.810 1136 L CB 1.782 43.683 42.059 -0.264 0.000 1.240 1136 L HN 0.825 nan 8.230 nan 0.000 0.427 1137 K N 1.786 121.933 120.400 -0.421 0.000 2.512 1137 K HA 0.942 5.217 4.320 -0.075 0.000 0.263 1137 K C -0.921 175.384 176.600 -0.491 0.000 0.966 1137 K CA -0.819 55.256 56.287 -0.353 0.000 0.851 1137 K CB 2.784 35.108 32.500 -0.295 0.000 1.395 1137 K HN 0.621 nan 8.250 nan 0.000 0.440 1138 G N 0.996 109.664 108.800 -0.220 0.000 2.600 1138 G HA2 0.549 4.464 3.960 -0.075 0.000 0.293 1138 G HA3 0.549 4.464 3.960 -0.075 0.000 0.293 1138 G C -2.895 172.010 174.900 0.007 0.000 1.408 1138 G CA -0.969 44.080 45.100 -0.085 0.000 0.782 1138 G HN 0.583 nan 8.290 nan 0.000 0.482 1139 P HA 0.404 nan 4.420 nan 0.000 0.278 1139 P C 0.421 177.817 177.300 0.161 0.000 1.266 1139 P CA -0.629 62.513 63.100 0.070 0.000 0.807 1139 P CB 1.831 33.563 31.700 0.053 0.000 1.094 1140 R N -0.375 120.213 120.500 0.147 0.000 2.115 1140 R HA 0.147 4.442 4.340 -0.075 0.000 0.230 1140 R C 1.161 177.504 176.300 0.072 0.000 1.111 1140 R CA 1.071 57.259 56.100 0.146 0.000 0.976 1140 R CB -0.786 29.559 30.300 0.074 0.000 0.870 1140 R HN 0.889 nan 8.270 nan 0.000 0.445 1141 G N -0.233 108.607 108.800 0.066 0.000 2.795 1141 G HA2 -0.211 3.704 3.960 -0.075 0.000 0.664 1141 G HA3 -0.211 3.704 3.960 -0.075 0.000 0.664 1141 G C -0.719 174.211 174.900 0.049 0.000 1.381 1141 G CA -0.516 44.612 45.100 0.048 0.000 0.853 1141 G HN 0.218 nan 8.290 nan 0.000 0.545 1142 S N -1.386 114.344 115.700 0.049 0.000 2.566 1142 S HA 0.819 5.244 4.470 -0.075 0.000 0.298 1142 S C 0.211 174.855 174.600 0.073 0.000 1.083 1142 S CA -0.037 58.205 58.200 0.070 0.000 0.978 1142 S CB 1.867 65.103 63.200 0.060 0.000 1.073 1142 S HN 1.927 nan 8.310 nan 0.000 0.491 1143 V N 1.039 121.023 119.914 0.117 0.000 2.628 1143 V HA 0.919 4.994 4.120 -0.075 0.000 0.306 1143 V C -0.657 175.545 176.094 0.180 0.000 1.045 1143 V CA -0.859 61.525 62.300 0.141 0.000 0.905 1143 V CB 1.471 33.372 31.823 0.130 0.000 0.997 1143 V HN 0.899 nan 8.190 nan 0.000 0.436 1144 M N 2.179 121.786 119.600 0.012 0.000 2.465 1144 M HA 0.673 5.108 4.480 -0.075 0.000 0.284 1144 M C -1.227 174.665 176.300 -0.679 0.000 1.212 1144 M CA -0.298 54.789 55.300 -0.354 0.000 0.910 1144 M CB 1.229 33.728 32.600 -0.168 0.000 1.725 1144 M HN 0.601 nan 8.290 nan 0.000 0.477 1145 T N 1.921 115.831 114.554 -1.074 0.000 2.879 1145 T HA 0.550 4.855 4.350 -0.075 0.000 0.290 1145 T C -0.092 174.394 174.700 -0.356 0.000 0.993 1145 T CA -0.327 61.429 62.100 -0.574 0.000 0.975 1145 T CB 1.528 70.100 68.868 -0.495 0.000 0.981 1145 T HN 0.899 nan 8.240 nan 0.000 0.439 1146 T N 2.268 116.702 114.554 -0.199 0.000 2.934 1146 T HA 0.114 4.419 4.350 -0.075 0.000 0.306 1146 T C 0.911 175.544 174.700 -0.113 0.000 1.042 1146 T CA -0.170 61.851 62.100 -0.131 0.000 1.145 1146 T CB -0.003 68.812 68.868 -0.088 0.000 0.982 1146 T HN 0.680 nan 8.240 nan 0.000 0.544 1147 N N 0.893 119.540 118.700 -0.088 0.000 2.936 1147 N HA -0.144 4.551 4.740 -0.075 0.000 0.236 1147 N C 0.345 175.801 175.510 -0.089 0.000 0.930 1147 N CA 1.566 54.566 53.050 -0.084 0.000 0.966 1147 N CB -1.046 37.381 38.487 -0.100 0.000 1.090 1147 N HN 0.684 nan 8.380 nan 0.000 0.592 1148 I N -1.652 118.885 120.570 -0.054 0.000 3.739 1148 I HA 0.134 4.259 4.170 -0.075 0.000 0.272 1148 I C 0.572 176.858 176.117 0.282 0.000 1.167 1148 I CA 0.917 62.260 61.300 0.071 0.000 1.386 1148 I CB -0.282 37.765 38.000 0.078 0.000 1.490 1148 I HN 0.135 nan 8.210 nan 0.000 0.452 1149 Y N 0.536 120.891 120.300 0.092 0.000 2.609 1149 Y HA 0.755 5.259 4.550 -0.075 0.000 0.336 1149 Y C -1.509 174.419 175.900 0.047 0.000 1.129 1149 Y CA -1.834 56.312 58.100 0.076 0.000 1.040 1149 Y CB 1.689 40.166 38.460 0.028 0.000 1.310 1149 Y HN -0.081 nan 8.280 nan 0.000 0.460 1150 L N 3.399 124.770 121.223 0.246 0.000 2.620 1150 L HA 0.598 4.892 4.340 -0.075 0.000 0.261 1150 L C -2.253 174.750 176.870 0.220 0.000 0.978 1150 L CA -0.509 54.431 54.840 0.166 0.000 0.897 1150 L CB 1.325 43.430 42.059 0.078 0.000 1.207 1150 L HN 0.940 nan 8.230 nan 0.000 0.425 1151 N N 1.522 120.381 118.700 0.265 0.000 2.509 1151 N HA 0.640 5.335 4.740 -0.075 0.000 0.280 1151 N C -1.074 174.579 175.510 0.238 0.000 1.306 1151 N CA -0.954 52.265 53.050 0.281 0.000 0.782 1151 N CB 1.698 40.446 38.487 0.435 0.000 1.493 1151 N HN 0.408 nan 8.380 nan 0.000 0.498 1152 S N 0.144 115.974 115.700 0.216 0.000 2.564 1152 S HA 0.104 4.529 4.470 -0.075 0.000 0.278 1152 S C 0.146 174.852 174.600 0.176 0.000 1.333 1152 S CA -0.464 57.821 58.200 0.141 0.000 1.048 1152 S CB 0.594 63.835 63.200 0.069 0.000 0.900 1152 S HN 0.503 nan 8.310 nan 0.000 0.505 1153 S N 2.510 118.265 115.700 0.091 0.000 2.525 1153 S HA 0.142 4.567 4.470 -0.075 0.000 0.285 1153 S C 0.865 175.414 174.600 -0.085 0.000 1.283 1153 S CA -0.490 57.730 58.200 0.032 0.000 1.072 1153 S CB -0.166 63.018 63.200 -0.026 0.000 0.867 1153 S HN 0.634 nan 8.310 nan 0.000 0.492 1154 L N 4.150 125.260 121.223 -0.188 0.000 2.556 1154 L HA 0.213 4.508 4.340 -0.075 0.000 0.226 1154 L C -0.115 176.548 176.870 -0.345 0.000 1.089 1154 L CA 0.143 54.766 54.840 -0.361 0.000 0.864 1154 L CB -0.054 41.632 42.059 -0.621 0.000 1.067 1154 L HN 0.667 nan 8.230 nan 0.000 0.477 1155 Y N 1.724 121.735 120.300 -0.481 0.000 2.812 1155 Y HA 0.357 4.862 4.550 -0.076 0.000 0.354 1155 Y C 0.270 175.591 175.900 -0.965 0.000 1.276 1155 Y CA -0.963 56.399 58.100 -1.229 0.000 1.639 1155 Y CB -0.538 37.465 38.460 -0.762 0.000 1.741 1155 Y HN -0.045 nan 8.280 nan 0.000 0.479 1156 R N -0.021 120.147 120.500 -0.553 0.000 2.807 1156 R HA 0.752 5.047 4.340 -0.075 0.000 0.276 1156 R C 0.393 176.640 176.300 -0.088 0.000 0.979 1156 R CA -0.450 55.412 56.100 -0.396 0.000 0.928 1156 R CB 1.964 31.868 30.300 -0.660 0.000 1.191 1156 R HN 0.577 nan 8.270 nan 0.000 0.471 1157 G N 0.525 109.269 108.800 -0.092 0.000 2.685 1157 G HA2 -0.264 3.651 3.960 -0.075 0.000 0.387 1157 G HA3 -0.264 3.651 3.960 -0.075 0.000 0.387 1157 G C -0.547 174.484 174.900 0.219 0.000 1.324 1157 G CA -0.416 44.802 45.100 0.197 0.000 0.878 1157 G HN 0.776 nan 8.290 nan 0.000 0.527 1158 T N -0.821 113.844 114.554 0.184 0.000 2.901 1158 T HA 0.552 4.857 4.350 -0.075 0.000 0.301 1158 T C 0.445 175.242 174.700 0.161 0.000 1.012 1158 T CA 0.166 62.371 62.100 0.174 0.000 1.135 1158 T CB 1.214 70.206 68.868 0.207 0.000 0.936 1158 T HN 0.679 nan 8.240 nan 0.000 0.539 1159 K N 1.783 122.238 120.400 0.091 0.000 2.270 1159 K HA 0.418 4.693 4.320 -0.075 0.000 0.276 1159 K C -0.600 176.209 176.600 0.348 0.000 1.023 1159 K CA -0.497 55.803 56.287 0.021 0.000 0.955 1159 K CB 0.432 32.824 32.500 -0.181 0.000 0.975 1159 K HN 0.417 nan 8.250 nan 0.000 0.471 1160 F N 2.349 122.331 119.950 0.054 0.000 2.422 1160 F HA 0.476 4.957 4.527 -0.077 0.000 0.333 1160 F C 0.324 176.223 175.800 0.165 0.000 1.095 1160 F CA -1.319 56.754 58.000 0.122 0.000 1.038 1160 F CB 0.801 39.907 39.000 0.177 0.000 1.156 1160 F HN 0.224 nan 8.300 nan 0.000 0.483 1161 I N 4.146 124.882 120.570 0.276 0.000 2.466 1161 I HA 0.366 4.491 4.170 -0.075 0.000 0.289 1161 I C -0.642 175.585 176.117 0.183 0.000 1.026 1161 I CA -0.558 60.855 61.300 0.190 0.000 1.078 1161 I CB 2.076 40.132 38.000 0.094 0.000 1.249 1161 I HN 0.317 nan 8.210 nan 0.000 0.429 1162 I N 6.516 127.194 120.570 0.181 0.000 2.371 1162 I HA 0.275 4.400 4.170 -0.075 0.000 0.290 1162 I C -0.087 176.206 176.117 0.293 0.000 1.028 1162 I CA -0.525 60.863 61.300 0.146 0.000 1.345 1162 I CB 0.507 38.464 38.000 -0.071 0.000 1.407 1162 I HN 0.334 nan 8.210 nan 0.000 0.501 1163 K N 6.218 126.814 120.400 0.326 0.000 2.259 1163 K HA 0.464 4.739 4.320 -0.075 0.000 0.252 1163 K C -0.566 176.204 176.600 0.284 0.000 0.936 1163 K CA -0.957 55.521 56.287 0.319 0.000 0.810 1163 K CB 1.898 34.562 32.500 0.273 0.000 1.143 1163 K HN 0.421 nan 8.250 nan 0.000 0.427 1164 K N 1.552 121.936 120.400 -0.027 0.000 2.382 1164 K HA -0.015 4.260 4.320 -0.075 0.000 0.275 1164 K C 0.042 176.612 176.600 -0.051 0.000 1.009 1164 K CA 0.287 56.398 56.287 -0.293 0.000 0.970 1164 K CB 0.446 32.632 32.500 -0.523 0.000 0.934 1164 K HN 0.541 nan 8.250 nan 0.000 0.479 1165 Y N 1.275 121.423 120.300 -0.254 0.000 3.266 1165 Y HA 0.244 4.748 4.550 -0.076 0.000 0.189 1165 Y C 1.402 177.182 175.900 -0.200 0.000 0.895 1165 Y CA 0.761 58.662 58.100 -0.331 0.000 1.706 1165 Y CB -0.286 37.725 38.460 -0.747 0.000 1.449 1165 Y HN 0.499 nan 8.280 nan 0.000 0.391 1166 A N 0.058 122.552 122.820 -0.544 0.000 2.044 1166 A HA 0.204 4.479 4.320 -0.075 0.000 0.213 1166 A C 1.187 178.604 177.584 -0.279 0.000 1.169 1166 A CA 0.656 52.362 52.037 -0.552 0.000 0.724 1166 A CB -0.907 17.849 19.000 -0.406 0.000 0.840 1166 A HN 0.314 nan 8.150 nan 0.000 0.463 1167 S N 0.063 115.650 115.700 -0.189 0.000 2.537 1167 S HA 0.325 4.750 4.470 -0.075 0.000 0.286 1167 S C 1.235 175.747 174.600 -0.145 0.000 1.299 1167 S CA 0.182 58.305 58.200 -0.128 0.000 1.067 1167 S CB 0.935 64.083 63.200 -0.086 0.000 0.864 1167 S HN 0.501 nan 8.310 nan 0.000 0.494 1168 G N 4.257 112.993 108.800 -0.107 0.000 2.939 1168 G HA2 0.039 3.954 3.960 -0.075 0.000 0.210 1168 G HA3 0.039 3.954 3.960 -0.075 0.000 0.210 1168 G C 0.566 175.420 174.900 -0.076 0.000 1.160 1168 G CA -0.398 44.645 45.100 -0.094 0.000 0.770 1168 G HN 0.698 nan 8.290 nan 0.000 0.543 1169 N N 0.799 119.458 118.700 -0.068 0.000 2.483 1169 N HA 0.087 4.782 4.740 -0.075 0.000 0.264 1169 N C 0.595 176.070 175.510 -0.058 0.000 1.197 1169 N CA 0.149 53.170 53.050 -0.048 0.000 0.927 1169 N CB 0.832 39.304 38.487 -0.025 0.000 1.065 1169 N HN 0.121 nan 8.380 nan 0.000 0.461 1170 K N 0.999 121.374 120.400 -0.042 0.000 2.444 1170 K HA -0.018 4.257 4.320 -0.075 0.000 0.193 1170 K C -0.063 176.525 176.600 -0.021 0.000 1.024 1170 K CA 0.052 56.314 56.287 -0.041 0.000 1.077 1170 K CB 0.167 32.648 32.500 -0.031 0.000 0.833 1170 K HN 0.628 nan 8.250 nan 0.000 0.517 1171 D N -0.772 119.626 120.400 -0.003 0.000 2.451 1171 D HA 0.021 4.616 4.640 -0.075 0.000 0.259 1171 D C 0.265 176.600 176.300 0.059 0.000 1.201 1171 D CA -0.535 53.481 54.000 0.027 0.000 1.028 1171 D CB 0.390 41.210 40.800 0.033 0.000 1.095 1171 D HN -0.311 nan 8.370 nan 0.000 0.539 1172 N N -0.739 118.026 118.700 0.108 0.000 2.321 1172 N HA 0.186 4.880 4.740 -0.075 0.000 0.242 1172 N C -0.813 174.861 175.510 0.274 0.000 1.141 1172 N CA -0.302 52.878 53.050 0.217 0.000 0.864 1172 N CB -0.027 38.560 38.487 0.167 0.000 1.100 1172 N HN 0.353 nan 8.380 nan 0.000 0.510 1173 I N 1.266 121.944 120.570 0.181 0.000 2.365 1173 I HA 0.209 4.334 4.170 -0.075 0.000 0.291 1173 I C 0.440 176.565 176.117 0.014 0.000 1.004 1173 I CA -0.780 60.549 61.300 0.048 0.000 1.311 1173 I CB 1.091 39.046 38.000 -0.074 0.000 1.401 1173 I HN -0.280 nan 8.210 nan 0.000 0.491 1174 V N 7.882 127.672 119.914 -0.207 0.000 2.408 1174 V HA 0.324 4.399 4.120 -0.075 0.000 0.267 1174 V C 0.666 176.649 176.094 -0.186 0.000 1.047 1174 V CA -0.667 61.431 62.300 -0.335 0.000 0.937 1174 V CB 0.345 31.816 31.823 -0.587 0.000 0.999 1174 V HN 0.645 nan 8.190 nan 0.000 0.472 1175 R N 3.005 123.448 120.500 -0.095 0.000 2.598 1175 R HA 0.350 4.645 4.340 -0.075 0.000 0.279 1175 R C 0.083 176.345 176.300 -0.064 0.000 0.984 1175 R CA -0.977 55.070 56.100 -0.089 0.000 0.999 1175 R CB 0.757 31.021 30.300 -0.061 0.000 1.114 1175 R HN 0.647 nan 8.270 nan 0.000 0.493 1176 N N 2.049 120.711 118.700 -0.063 0.000 2.412 1176 N HA -0.108 4.587 4.740 -0.075 0.000 0.258 1176 N C -0.236 175.266 175.510 -0.013 0.000 1.236 1176 N CA 0.944 53.973 53.050 -0.035 0.000 0.882 1176 N CB 0.171 38.635 38.487 -0.039 0.000 1.066 1176 N HN 0.633 nan 8.380 nan 0.000 0.465 1177 N N -0.015 118.692 118.700 0.011 0.000 2.965 1177 N HA -0.201 4.494 4.740 -0.075 0.000 0.232 1177 N C -1.239 174.286 175.510 0.025 0.000 0.913 1177 N CA 0.644 53.708 53.050 0.024 0.000 0.981 1177 N CB -1.235 37.260 38.487 0.013 0.000 1.077 1177 N HN 0.625 nan 8.380 nan 0.000 0.589 1178 D N 1.324 121.740 120.400 0.026 0.000 2.455 1178 D HA 0.100 4.695 4.640 -0.075 0.000 0.241 1178 D C 0.785 177.125 176.300 0.067 0.000 1.138 1178 D CA 0.522 54.554 54.000 0.054 0.000 0.877 1178 D CB 0.538 41.399 40.800 0.102 0.000 1.187 1178 D HN 0.102 nan 8.370 nan 0.000 0.451 1179 R N 1.152 121.694 120.500 0.070 0.000 2.265 1179 R HA 0.500 4.795 4.340 -0.075 0.000 0.319 1179 R C -0.175 176.204 176.300 0.131 0.000 1.006 1179 R CA -0.757 55.406 56.100 0.106 0.000 0.880 1179 R CB 1.181 31.564 30.300 0.138 0.000 1.077 1179 R HN 0.286 nan 8.270 nan 0.000 0.454 1180 V N 0.131 120.090 119.914 0.075 0.000 3.158 1180 V HA 0.626 4.701 4.120 -0.075 0.000 0.311 1180 V C -1.329 174.690 176.094 -0.124 0.000 1.181 1180 V CA -1.046 61.286 62.300 0.054 0.000 1.054 1180 V CB 1.689 33.610 31.823 0.164 0.000 1.085 1180 V HN 0.532 nan 8.190 nan 0.000 0.446 1181 Y N 0.621 120.986 120.300 0.109 0.000 2.457 1181 Y HA 0.763 5.267 4.550 -0.075 0.000 0.333 1181 Y C 0.134 176.051 175.900 0.028 0.000 1.119 1181 Y CA -1.498 56.612 58.100 0.015 0.000 1.143 1181 Y CB 1.572 40.022 38.460 -0.018 0.000 1.230 1181 Y HN 0.442 nan 8.280 nan 0.000 0.469 1182 I N 2.808 123.460 120.570 0.137 0.000 2.378 1182 I HA 0.275 4.400 4.170 -0.075 0.000 0.291 1182 I C -0.721 175.355 176.117 -0.068 0.000 0.992 1182 I CA -0.905 60.402 61.300 0.012 0.000 1.154 1182 I CB 1.108 39.046 38.000 -0.103 0.000 1.315 1182 I HN 0.606 nan 8.210 nan 0.000 0.448 1183 N N 4.758 123.432 118.700 -0.044 0.000 2.456 1183 N HA 0.538 5.233 4.740 -0.075 0.000 0.296 1183 N C -0.675 174.770 175.510 -0.108 0.000 1.102 1183 N CA -0.392 52.625 53.050 -0.054 0.000 0.924 1183 N CB 2.400 40.892 38.487 0.008 0.000 1.186 1183 N HN 0.219 nan 8.380 nan 0.000 0.492 1184 V N 1.430 121.301 119.914 -0.072 0.000 2.459 1184 V HA 0.393 4.468 4.120 -0.075 0.000 0.295 1184 V C -0.087 176.089 176.094 0.137 0.000 1.029 1184 V CA -0.887 61.411 62.300 -0.002 0.000 0.874 1184 V CB 1.808 33.602 31.823 -0.047 0.000 0.985 1184 V HN 0.300 nan 8.190 nan 0.000 0.438 1185 V N 5.517 125.522 119.914 0.152 0.000 2.406 1185 V HA 0.419 4.494 4.120 -0.075 0.000 0.272 1185 V C -0.153 176.032 176.094 0.152 0.000 1.043 1185 V CA -0.296 62.090 62.300 0.142 0.000 0.915 1185 V CB 1.465 33.335 31.823 0.079 0.000 0.988 1185 V HN 0.627 nan 8.190 nan 0.000 0.466 1186 V N 5.102 125.140 119.914 0.207 0.000 2.447 1186 V HA 0.470 4.545 4.120 -0.075 0.000 0.292 1186 V C 0.308 176.503 176.094 0.169 0.000 1.021 1186 V CA -1.045 61.340 62.300 0.141 0.000 0.850 1186 V CB 1.269 33.087 31.823 -0.009 0.000 1.005 1186 V HN 0.945 nan 8.190 nan 0.000 0.426 1187 K N 4.293 124.756 120.400 0.105 0.000 3.150 1187 K HA -0.233 4.042 4.320 -0.075 0.000 0.267 1187 K C 0.618 177.269 176.600 0.085 0.000 1.028 1187 K CA 0.897 57.237 56.287 0.089 0.000 0.753 1187 K CB -0.848 31.706 32.500 0.091 0.000 1.288 1187 K HN 0.992 nan 8.250 nan 0.000 0.473 1188 N N -0.383 118.361 118.700 0.074 0.000 2.725 1188 N HA -0.211 4.484 4.740 -0.075 0.000 0.249 1188 N C -1.035 174.498 175.510 0.038 0.000 1.103 1188 N CA 2.130 55.209 53.050 0.047 0.000 0.707 1188 N CB -0.319 38.187 38.487 0.033 0.000 1.043 1188 N HN 0.651 nan 8.380 nan 0.000 0.553 1189 K N 0.223 120.662 120.400 0.066 0.000 2.464 1189 K HA 0.374 4.649 4.320 -0.075 0.000 0.253 1189 K C -1.085 175.510 176.600 -0.009 0.000 0.933 1189 K CA -0.687 55.595 56.287 -0.007 0.000 0.801 1189 K CB 1.118 33.599 32.500 -0.032 0.000 1.271 1189 K HN 0.154 nan 8.250 nan 0.000 0.430 1190 E N 2.411 122.533 120.200 -0.131 0.000 2.197 1190 E HA 0.225 4.530 4.350 -0.075 0.000 0.281 1190 E C -1.226 175.199 176.600 -0.290 0.000 0.995 1190 E CA -0.497 55.851 56.400 -0.087 0.000 0.808 1190 E CB 1.002 30.665 29.700 -0.061 0.000 1.093 1190 E HN 0.348 nan 8.360 nan 0.000 0.394 1191 Y N 0.772 121.046 120.300 -0.043 0.000 2.587 1191 Y HA 0.467 4.971 4.550 -0.075 0.000 0.337 1191 Y C 0.119 175.966 175.900 -0.089 0.000 1.065 1191 Y CA -1.203 56.861 58.100 -0.059 0.000 1.126 1191 Y CB 1.369 39.800 38.460 -0.047 0.000 1.279 1191 Y HN 0.330 nan 8.280 nan 0.000 0.489 1192 R N 1.616 122.149 120.500 0.056 0.000 2.294 1192 R HA 0.437 4.732 4.340 -0.075 0.000 0.319 1192 R C -1.747 174.528 176.300 -0.043 0.000 0.984 1192 R CA -0.768 55.307 56.100 -0.042 0.000 0.861 1192 R CB 0.569 30.805 30.300 -0.107 0.000 1.104 1192 R HN 0.651 nan 8.270 nan 0.000 0.451 1193 L N 3.832 124.998 121.223 -0.095 0.000 2.418 1193 L HA 0.563 4.858 4.340 -0.075 0.000 0.274 1193 L C -0.787 176.055 176.870 -0.048 0.000 1.135 1193 L CA 0.835 55.612 54.840 -0.106 0.000 0.870 1193 L CB 0.473 42.404 42.059 -0.213 0.000 1.154 1193 L HN 0.870 nan 8.230 nan 0.000 0.462 1194 A N 3.195 126.003 122.820 -0.019 0.000 2.599 1194 A HA 0.813 5.088 4.320 -0.075 0.000 0.290 1194 A C -0.759 176.834 177.584 0.015 0.000 1.101 1194 A CA -0.258 51.776 52.037 -0.005 0.000 0.674 1194 A CB 1.721 20.709 19.000 -0.020 0.000 1.277 1194 A HN 0.566 nan 8.150 nan 0.000 0.419 1195 T N -0.065 114.500 114.554 0.017 0.000 2.853 1195 T HA 0.482 4.787 4.350 -0.075 0.000 0.311 1195 T C -1.692 173.015 174.700 0.013 0.000 1.307 1195 T CA -0.535 61.579 62.100 0.023 0.000 1.019 1195 T CB 1.409 70.300 68.868 0.039 0.000 1.264 1195 T HN 0.790 nan 8.240 nan 0.000 0.497 1196 N N 2.067 120.773 118.700 0.009 0.000 2.469 1196 N HA 0.434 5.129 4.740 -0.075 0.000 0.239 1196 N C 0.852 176.367 175.510 0.007 0.000 1.053 1196 N CA -0.071 52.982 53.050 0.005 0.000 0.937 1196 N CB 1.207 39.695 38.487 0.000 0.000 1.163 1196 N HN 0.701 nan 8.380 nan 0.000 0.509 1197 A N 2.613 125.439 122.820 0.010 0.000 2.172 1197 A HA -0.039 4.236 4.320 -0.075 0.000 0.216 1197 A C 1.843 179.431 177.584 0.008 0.000 1.154 1197 A CA 0.817 52.862 52.037 0.013 0.000 0.701 1197 A CB -0.177 18.831 19.000 0.014 0.000 0.789 1197 A HN 0.635 nan 8.150 nan 0.000 0.465 1198 S N 0.329 116.031 115.700 0.004 0.000 2.515 1198 S HA -0.073 4.352 4.470 -0.075 0.000 0.231 1198 S C 1.073 175.673 174.600 -0.001 0.000 0.987 1198 S CA 0.540 58.741 58.200 0.002 0.000 0.936 1198 S CB -0.332 62.868 63.200 0.000 0.000 0.766 1198 S HN 0.896 nan 8.310 nan 0.000 0.528 1199 Q N 1.379 121.178 119.800 -0.002 0.000 2.386 1199 Q HA 0.412 4.706 4.340 -0.075 0.000 0.282 1199 Q C -0.052 175.946 176.000 -0.003 0.000 1.050 1199 Q CA -0.231 55.567 55.803 -0.008 0.000 0.918 1199 Q CB 0.377 29.104 28.738 -0.018 0.000 1.266 1199 Q HN 0.190 nan 8.270 nan 0.000 0.423 1200 A N 2.104 124.922 122.820 -0.004 0.000 2.498 1200 A HA 0.514 4.789 4.320 -0.075 0.000 0.239 1200 A C 0.759 178.348 177.584 0.008 0.000 1.068 1200 A CA 0.649 52.687 52.037 0.002 0.000 0.766 1200 A CB -0.603 18.399 19.000 0.003 0.000 1.003 1200 A HN 1.512 nan 8.150 nan 0.000 0.497 1201 G N -0.226 108.576 108.800 0.003 0.000 2.650 1201 G HA2 0.149 4.064 3.960 -0.075 0.000 0.686 1201 G HA3 0.149 4.064 3.960 -0.075 0.000 0.686 1201 G C 0.463 175.355 174.900 -0.014 0.000 1.205 1201 G CA 0.100 45.197 45.100 -0.006 0.000 0.781 1201 G HN 1.943 nan 8.290 nan 0.000 0.648 1202 V N 0.520 120.409 119.914 -0.042 0.000 2.490 1202 V HA 0.081 4.156 4.120 -0.075 0.000 0.250 1202 V C 1.306 177.382 176.094 -0.030 0.000 1.061 1202 V CA 2.913 65.194 62.300 -0.031 0.000 1.064 1202 V CB -0.443 31.361 31.823 -0.030 0.000 0.670 1202 V HN 0.707 nan 8.190 nan 0.000 0.461 1203 E N 1.923 122.081 120.200 -0.070 0.000 2.152 1203 E HA 0.295 4.600 4.350 -0.075 0.000 0.285 1203 E C -0.456 176.196 176.600 0.086 0.000 1.043 1203 E CA -0.165 56.227 56.400 -0.013 0.000 0.839 1203 E CB 0.627 30.257 29.700 -0.116 0.000 1.069 1203 E HN 0.224 nan 8.360 nan 0.000 0.399 1204 K N 3.424 123.879 120.400 0.091 0.000 2.264 1204 K HA 0.340 4.615 4.320 -0.075 0.000 0.277 1204 K C 0.038 176.695 176.600 0.094 0.000 1.067 1204 K CA -0.374 55.955 56.287 0.071 0.000 0.900 1204 K CB 0.826 33.364 32.500 0.062 0.000 1.124 1204 K HN 0.522 nan 8.250 nan 0.000 0.469 1205 I N 4.089 124.679 120.570 0.035 0.000 2.588 1205 I HA 0.023 4.148 4.170 -0.075 0.000 0.283 1205 I C 0.476 176.640 176.117 0.078 0.000 1.119 1205 I CA -0.193 61.127 61.300 0.034 0.000 1.419 1205 I CB 0.337 38.254 38.000 -0.139 0.000 1.394 1205 I HN 0.239 nan 8.210 nan 0.000 0.562 1206 L N 5.942 127.247 121.223 0.136 0.000 2.334 1206 L HA 0.444 4.739 4.340 -0.075 0.000 0.277 1206 L C 0.120 177.064 176.870 0.122 0.000 1.075 1206 L CA -0.171 54.740 54.840 0.118 0.000 0.804 1206 L CB 1.303 43.441 42.059 0.132 0.000 1.174 1206 L HN 0.582 nan 8.230 nan 0.000 0.438 1207 S N 0.667 116.409 115.700 0.071 0.000 2.671 1207 S HA 0.771 5.196 4.470 -0.075 0.000 0.299 1207 S C -0.583 174.022 174.600 0.009 0.000 1.116 1207 S CA -0.663 57.566 58.200 0.048 0.000 0.912 1207 S CB 2.055 65.275 63.200 0.033 0.000 1.130 1207 S HN 0.670 nan 8.310 nan 0.000 0.501 1208 A N 2.080 124.885 122.820 -0.024 0.000 2.277 1208 A HA 0.687 4.962 4.320 -0.075 0.000 0.318 1208 A C -0.695 176.896 177.584 0.011 0.000 1.339 1208 A CA -0.511 51.506 52.037 -0.034 0.000 0.875 1208 A CB -0.208 18.716 19.000 -0.126 0.000 1.158 1208 A HN 0.693 nan 8.150 nan 0.000 0.514 1209 L N 1.727 123.003 121.223 0.089 0.000 2.344 1209 L HA 0.409 4.704 4.340 -0.075 0.000 0.272 1209 L C 0.283 177.287 176.870 0.224 0.000 1.035 1209 L CA -1.017 53.895 54.840 0.119 0.000 0.807 1209 L CB 1.226 43.306 42.059 0.035 0.000 1.237 1209 L HN 0.592 nan 8.230 nan 0.000 0.442 1210 E N 1.827 122.147 120.200 0.200 0.000 2.465 1210 E HA -0.004 4.301 4.350 -0.075 0.000 0.260 1210 E C 1.028 177.605 176.600 -0.038 0.000 0.980 1210 E CA 0.261 56.691 56.400 0.050 0.000 0.927 1210 E CB 1.275 30.994 29.700 0.033 0.000 0.934 1210 E HN 0.485 nan 8.360 nan 0.000 0.459 1211 I N 4.697 125.199 120.570 -0.113 0.000 2.179 1211 I HA -0.232 3.893 4.170 -0.075 0.000 0.242 1211 I C -0.685 175.366 176.117 -0.111 0.000 1.088 1211 I CA 0.938 62.161 61.300 -0.129 0.000 1.357 1211 I CB -1.104 36.801 38.000 -0.158 0.000 1.051 1211 I HN 0.407 nan 8.210 nan 0.000 0.409 1212 P HA -0.126 nan 4.420 nan 0.000 0.223 1212 P C 0.403 177.671 177.300 -0.053 0.000 1.144 1212 P CA 1.323 64.381 63.100 -0.069 0.000 0.783 1212 P CB -0.037 31.628 31.700 -0.058 0.000 0.771 1213 D N -2.141 118.232 120.400 -0.046 0.000 2.402 1213 D HA 0.056 4.651 4.640 -0.075 0.000 0.216 1213 D C 1.533 177.814 176.300 -0.031 0.000 1.128 1213 D CA 0.040 54.023 54.000 -0.029 0.000 0.833 1213 D CB 0.029 40.822 40.800 -0.011 0.000 0.971 1213 D HN -0.022 nan 8.370 nan 0.000 0.503 1214 V N 0.292 120.174 119.914 -0.053 0.000 2.548 1214 V HA 0.037 4.112 4.120 -0.075 0.000 0.249 1214 V C 1.922 177.988 176.094 -0.046 0.000 1.055 1214 V CA 1.328 63.593 62.300 -0.057 0.000 1.065 1214 V CB -0.909 30.854 31.823 -0.101 0.000 0.681 1214 V HN 0.413 nan 8.190 nan 0.000 0.462 1215 G N 0.745 109.518 108.800 -0.046 0.000 2.583 1215 G HA2 -0.421 3.494 3.960 -0.075 0.000 0.292 1215 G HA3 -0.421 3.494 3.960 -0.075 0.000 0.292 1215 G C 0.424 175.307 174.900 -0.028 0.000 1.203 1215 G CA 0.787 45.868 45.100 -0.031 0.000 0.987 1215 G HN 0.495 nan 8.290 nan 0.000 0.554 1216 N N 0.474 119.163 118.700 -0.018 0.000 2.268 1216 N HA 0.365 5.060 4.740 -0.075 0.000 0.204 1216 N C 0.827 176.330 175.510 -0.012 0.000 1.124 1216 N CA -0.429 52.613 53.050 -0.012 0.000 0.838 1216 N CB 0.079 38.563 38.487 -0.005 0.000 0.994 1216 N HN 0.428 nan 8.380 nan 0.000 0.489 1217 L N 0.745 121.958 121.223 -0.017 0.000 2.482 1217 L HA 0.057 4.352 4.340 -0.075 0.000 0.273 1217 L C 0.516 177.378 176.870 -0.013 0.000 1.228 1217 L CA 0.077 54.909 54.840 -0.013 0.000 0.827 1217 L CB 0.415 42.465 42.059 -0.015 0.000 1.099 1217 L HN 0.077 nan 8.230 nan 0.000 0.494 1218 S N 0.809 116.507 115.700 -0.003 0.000 2.505 1218 S HA 0.167 4.591 4.470 -0.075 0.000 0.276 1218 S C 0.495 175.097 174.600 0.004 0.000 1.274 1218 S CA -0.509 57.693 58.200 0.002 0.000 1.053 1218 S CB 0.903 64.109 63.200 0.010 0.000 0.919 1218 S HN 0.707 nan 8.310 nan 0.000 0.490 1219 Q N 1.089 120.895 119.800 0.010 0.000 2.046 1219 Q HA 0.243 4.538 4.340 -0.075 0.000 0.226 1219 Q C -0.540 175.517 176.000 0.095 0.000 0.755 1219 Q CA -0.150 55.676 55.803 0.038 0.000 0.924 1219 Q CB 0.026 28.759 28.738 -0.007 0.000 1.188 1219 Q HN 0.427 nan 8.270 nan 0.000 0.450 1220 V N 2.205 122.129 119.914 0.018 0.000 2.530 1220 V HA 0.280 4.355 4.120 -0.075 0.000 0.282 1220 V C -0.109 175.980 176.094 -0.009 0.000 1.048 1220 V CA -0.381 61.873 62.300 -0.078 0.000 0.997 1220 V CB 1.488 33.191 31.823 -0.200 0.000 0.987 1220 V HN 0.128 nan 8.190 nan 0.000 0.477 1221 V N 5.669 125.586 119.914 0.006 0.000 2.487 1221 V HA 0.352 4.427 4.120 -0.075 0.000 0.298 1221 V C -0.134 175.998 176.094 0.062 0.000 1.028 1221 V CA -0.654 61.676 62.300 0.051 0.000 0.860 1221 V CB 2.105 33.971 31.823 0.073 0.000 0.991 1221 V HN 0.618 nan 8.190 nan 0.000 0.427 1222 V N 6.086 126.044 119.914 0.073 0.000 2.408 1222 V HA 0.307 4.382 4.120 -0.075 0.000 0.267 1222 V C 0.369 176.536 176.094 0.121 0.000 1.047 1222 V CA -0.383 61.967 62.300 0.084 0.000 0.937 1222 V CB 1.073 32.938 31.823 0.070 0.000 0.999 1222 V HN 0.703 nan 8.190 nan 0.000 0.472 1223 M N 5.708 125.361 119.600 0.089 0.000 2.162 1223 M HA 0.443 4.878 4.480 -0.075 0.000 0.356 1223 M C -0.151 176.197 176.300 0.081 0.000 1.303 1223 M CA 0.007 55.356 55.300 0.081 0.000 1.116 1223 M CB 0.662 33.262 32.600 0.000 0.000 1.632 1223 M HN 0.451 nan 8.290 nan 0.000 0.469 1224 K N 1.763 122.229 120.400 0.109 0.000 2.427 1224 K HA 0.389 4.664 4.320 -0.075 0.000 0.252 1224 K C -0.594 176.034 176.600 0.047 0.000 0.931 1224 K CA -0.341 55.998 56.287 0.087 0.000 0.793 1224 K CB 2.278 34.870 32.500 0.154 0.000 1.211 1224 K HN 0.788 nan 8.250 nan 0.000 0.426 1225 S N 1.461 117.170 115.700 0.015 0.000 2.545 1225 S HA 0.150 4.575 4.470 -0.075 0.000 0.275 1225 S C 1.026 175.619 174.600 -0.013 0.000 1.299 1225 S CA -0.254 57.944 58.200 -0.003 0.000 1.048 1225 S CB 1.311 64.496 63.200 -0.024 0.000 0.938 1225 S HN 0.673 nan 8.310 nan 0.000 0.496 1226 K N 2.407 122.790 120.400 -0.027 0.000 2.360 1226 K HA -0.156 4.118 4.320 -0.075 0.000 0.201 1226 K C 0.549 177.126 176.600 -0.039 0.000 1.046 1226 K CA 1.090 57.345 56.287 -0.053 0.000 0.945 1226 K CB -0.353 32.108 32.500 -0.064 0.000 0.750 1226 K HN 0.841 nan 8.250 nan 0.000 0.464 1227 N N 0.949 119.629 118.700 -0.034 0.000 2.776 1227 N HA -0.193 4.502 4.740 -0.075 0.000 0.250 1227 N C -0.863 174.625 175.510 -0.036 0.000 1.112 1227 N CA 0.979 54.007 53.050 -0.037 0.000 0.733 1227 N CB -1.404 37.066 38.487 -0.029 0.000 1.097 1227 N HN 0.423 nan 8.380 nan 0.000 0.558 1232 T N 2.749 117.305 114.554 0.003 0.000 2.856 1232 T HA 0.323 4.628 4.350 -0.075 0.000 0.306 1232 T C 0.469 175.161 174.700 -0.014 0.000 1.062 1232 T CA 0.305 62.429 62.100 0.039 0.000 1.083 1232 T CB 0.659 69.599 68.868 0.119 0.000 0.984 1232 T HN 0.769 nan 8.240 nan 0.000 0.542 1233 N N -0.875 117.829 118.700 0.007 0.000 2.994 1233 N HA -0.132 4.563 4.740 -0.075 0.000 0.246 1233 N C -0.896 174.635 175.510 0.036 0.000 1.061 1233 N CA 0.502 53.558 53.050 0.011 0.000 0.845 1233 N CB -1.518 36.958 38.487 -0.018 0.000 1.119 1233 N HN 0.782 nan 8.380 nan 0.000 0.551 1234 K N 0.489 120.903 120.400 0.024 0.000 2.276 1234 K HA 0.490 4.765 4.320 -0.075 0.000 0.283 1234 K C -0.035 176.599 176.600 0.056 0.000 1.044 1234 K CA -0.042 56.265 56.287 0.034 0.000 0.944 1234 K CB 1.075 33.573 32.500 -0.004 0.000 1.012 1234 K HN 0.144 nan 8.250 nan 0.000 0.472 1235 C N 2.545 121.918 119.300 0.121 0.000 2.561 1235 C HA 0.456 4.871 4.460 -0.075 0.000 0.319 1235 C C -0.202 174.891 174.990 0.173 0.000 1.198 1235 C CA -0.996 58.121 59.018 0.166 0.000 1.665 1235 C CB 1.158 29.098 27.740 0.333 0.000 2.258 1235 C HN 0.756 nan 8.230 nan 0.000 0.493 1236 K N 1.620 122.090 120.400 0.117 0.000 2.328 1236 K HA 0.724 4.999 4.320 -0.075 0.000 0.246 1236 K C -1.172 175.575 176.600 0.245 0.000 0.955 1236 K CA -0.463 55.872 56.287 0.080 0.000 0.817 1236 K CB 1.838 34.155 32.500 -0.305 0.000 1.208 1236 K HN 0.583 nan 8.250 nan 0.000 0.432 1237 M N 2.442 122.256 119.600 0.357 0.000 2.067 1237 M HA 0.215 4.650 4.480 -0.075 0.000 0.286 1237 M C -0.935 175.620 176.300 0.424 0.000 0.922 1237 M CA -0.764 54.731 55.300 0.325 0.000 0.937 1237 M CB 1.558 34.273 32.600 0.192 0.000 1.550 1237 M HN 0.397 nan 8.290 nan 0.000 0.433 1238 N N 3.589 122.474 118.700 0.309 0.000 2.457 1238 N HA 0.376 5.071 4.740 -0.075 0.000 0.250 1238 N C -1.544 173.980 175.510 0.025 0.000 0.982 1238 N CA -0.470 52.601 53.050 0.036 0.000 0.941 1238 N CB 0.865 39.216 38.487 -0.227 0.000 1.120 1238 N HN 0.577 nan 8.380 nan 0.000 0.505 1239 L N 2.784 124.030 121.223 0.039 0.000 2.380 1239 L HA 0.320 4.615 4.340 -0.075 0.000 0.273 1239 L C -0.202 176.668 176.870 -0.001 0.000 1.138 1239 L CA 0.538 55.400 54.840 0.036 0.000 0.832 1239 L CB 0.464 42.561 42.059 0.063 0.000 1.124 1239 L HN 0.573 nan 8.230 nan 0.000 0.454 1240 Q N 2.156 121.958 119.800 0.002 0.000 2.413 1240 Q HA 0.359 4.654 4.340 -0.075 0.000 0.276 1240 Q C -1.122 174.878 176.000 0.000 0.000 1.099 1240 Q CA -0.984 54.815 55.803 -0.005 0.000 0.814 1240 Q CB 2.124 30.860 28.738 -0.003 0.000 1.379 1240 Q HN 0.771 nan 8.270 nan 0.000 0.436 1241 D N 0.039 120.440 120.400 0.001 0.000 2.414 1241 D HA 0.009 4.604 4.640 -0.075 0.000 0.259 1241 D C 0.322 176.626 176.300 0.005 0.000 1.269 1241 D CA -0.308 53.694 54.000 0.003 0.000 1.028 1241 D CB 0.498 41.300 40.800 0.004 0.000 1.093 1241 D HN 0.297 nan 8.370 nan 0.000 0.545 1242 N N -0.662 118.042 118.700 0.007 0.000 2.521 1242 N HA -0.041 4.654 4.740 -0.075 0.000 0.188 1242 N C 0.167 175.694 175.510 0.028 0.000 1.146 1242 N CA 0.186 53.246 53.050 0.016 0.000 0.893 1242 N CB -0.262 38.234 38.487 0.015 0.000 0.975 1242 N HN 0.354 nan 8.380 nan 0.000 0.451 1243 N N -0.302 118.411 118.700 0.021 0.000 2.236 1243 N HA 0.097 4.792 4.740 -0.075 0.000 0.196 1243 N C 1.007 176.530 175.510 0.022 0.000 1.114 1243 N CA 0.463 53.526 53.050 0.022 0.000 0.859 1243 N CB 0.863 39.358 38.487 0.014 0.000 0.982 1243 N HN 0.237 nan 8.380 nan 0.000 0.493 1244 G N 0.889 109.703 108.800 0.023 0.000 2.176 1244 G HA2 -0.271 3.644 3.960 -0.075 0.000 0.253 1244 G HA3 -0.271 3.644 3.960 -0.075 0.000 0.253 1244 G C -0.156 174.747 174.900 0.005 0.000 0.979 1244 G CA -0.274 44.839 45.100 0.021 0.000 0.641 1244 G HN 0.410 nan 8.290 nan 0.000 0.530 1245 N N 1.483 120.184 118.700 0.001 0.000 2.520 1245 N HA 0.426 5.121 4.740 -0.075 0.000 0.273 1245 N C -0.673 174.826 175.510 -0.018 0.000 1.155 1245 N CA -0.476 52.569 53.050 -0.008 0.000 0.967 1245 N CB 0.611 39.095 38.487 -0.005 0.000 1.092 1245 N HN 0.120 nan 8.380 nan 0.000 0.457 1246 D N 1.701 122.080 120.400 -0.035 0.000 2.425 1246 D HA 0.035 4.630 4.640 -0.075 0.000 0.247 1246 D C 0.872 177.151 176.300 -0.036 0.000 1.147 1246 D CA -0.052 53.913 54.000 -0.058 0.000 0.879 1246 D CB 0.788 41.526 40.800 -0.103 0.000 1.179 1246 D HN 0.356 nan 8.370 nan 0.000 0.456 1247 I N 0.757 121.313 120.570 -0.024 0.000 3.081 1247 I HA 0.233 4.358 4.170 -0.075 0.000 0.274 1247 I C 1.299 177.428 176.117 0.020 0.000 1.178 1247 I CA 0.692 61.995 61.300 0.006 0.000 1.460 1247 I CB -1.058 36.956 38.000 0.024 0.000 1.137 1247 I HN 0.547 nan 8.210 nan 0.000 0.443 1248 G N 0.308 109.100 108.800 -0.014 0.000 2.326 1248 G HA2 0.049 3.964 3.960 -0.075 0.000 0.413 1248 G HA3 0.049 3.964 3.960 -0.075 0.000 0.413 1248 G C -0.985 173.950 174.900 0.058 0.000 1.444 1248 G CA -1.034 44.068 45.100 0.004 0.000 1.002 1248 G HN -0.156 nan 8.290 nan 0.000 0.649 1249 F N 0.124 120.221 119.950 0.245 0.000 2.553 1249 F HA 0.416 4.890 4.527 -0.088 0.000 0.356 1249 F C 1.656 177.612 175.800 0.259 0.000 1.142 1249 F CA -0.098 58.024 58.000 0.204 0.000 1.322 1249 F CB 0.550 39.618 39.000 0.113 0.000 1.126 1249 F HN 0.304 nan 8.300 nan 0.000 0.599 1250 I N 2.405 123.247 120.570 0.453 0.000 2.396 1250 I HA 0.377 4.502 4.170 -0.075 0.000 0.289 1250 I C 0.752 177.177 176.117 0.514 0.000 1.056 1250 I CA 0.443 61.996 61.300 0.422 0.000 1.365 1250 I CB 0.150 38.317 38.000 0.279 0.000 1.407 1250 I HN 0.762 nan 8.210 nan 0.000 0.509 1251 G N 6.051 115.168 108.800 0.529 0.000 3.198 1251 G HA2 0.648 4.562 3.960 -0.075 0.000 0.166 1251 G HA3 0.648 4.562 3.960 -0.075 0.000 0.166 1251 G C -1.198 174.093 174.900 0.651 0.000 1.134 1251 G CA -0.335 45.045 45.100 0.467 0.000 0.941 1251 G HN 0.516 nan 8.290 nan 0.000 0.639 1252 F N -1.578 118.603 119.950 0.384 0.000 2.662 1252 F HA 0.874 5.361 4.527 -0.067 0.000 0.312 1252 F C -1.305 174.625 175.800 0.218 0.000 1.113 1252 F CA -1.264 56.916 58.000 0.299 0.000 0.951 1252 F CB 1.950 41.078 39.000 0.214 0.000 1.344 1252 F HN 0.727 nan 8.300 nan 0.000 0.462 1253 H N 0.269 119.462 119.070 0.204 0.000 2.954 1253 H HA 0.378 4.887 4.556 -0.077 0.000 0.361 1253 H C -1.488 173.773 175.328 -0.113 0.000 1.122 1253 H CA -0.521 55.432 56.048 -0.158 0.000 1.217 1253 H CB 1.834 31.375 29.762 -0.369 0.000 1.776 1253 H HN 0.670 nan 8.280 nan 0.000 0.533 1254 Q N 4.251 123.637 119.800 -0.691 0.000 2.307 1254 Q HA 0.133 4.428 4.340 -0.075 0.000 0.261 1254 Q C -0.932 174.708 176.000 -0.599 0.000 1.051 1254 Q CA 0.336 55.880 55.803 -0.431 0.000 0.911 1254 Q CB 0.068 28.580 28.738 -0.377 0.000 1.227 1254 Q HN 0.432 nan 8.270 nan 0.000 0.418 1255 F N 2.471 122.372 119.950 -0.083 0.000 2.311 1255 F HA 0.260 4.743 4.527 -0.073 0.000 0.371 1255 F C 1.125 176.872 175.800 -0.087 0.000 1.083 1255 F CA -0.596 57.368 58.000 -0.060 0.000 1.113 1255 F CB 0.755 39.717 39.000 -0.064 0.000 1.349 1255 F HN 0.328 nan 8.300 nan 0.000 0.470 1256 N N 1.059 119.789 118.700 0.049 0.000 2.424 1256 N HA -0.066 4.629 4.740 -0.075 0.000 0.178 1256 N C 1.375 176.855 175.510 -0.049 0.000 1.060 1256 N CA 0.580 53.594 53.050 -0.059 0.000 0.901 1256 N CB 0.054 38.503 38.487 -0.063 0.000 0.979 1256 N HN 0.373 nan 8.380 nan 0.000 0.451 1257 N N -0.085 118.606 118.700 -0.014 0.000 2.299 1257 N HA 0.226 4.921 4.740 -0.075 0.000 0.187 1257 N C -0.641 174.868 175.510 -0.001 0.000 1.099 1257 N CA 0.094 53.137 53.050 -0.012 0.000 0.867 1257 N CB 0.653 39.135 38.487 -0.009 0.000 0.974 1257 N HN 0.144 nan 8.380 nan 0.000 0.477 1258 I N 0.655 121.229 120.570 0.006 0.000 2.354 1258 I HA 0.354 4.479 4.170 -0.075 0.000 0.292 1258 I C 0.029 176.203 176.117 0.095 0.000 0.989 1258 I CA -1.024 60.284 61.300 0.014 0.000 1.188 1258 I CB 1.869 39.811 38.000 -0.096 0.000 1.342 1258 I HN -0.113 nan 8.210 nan 0.000 0.457 1259 A N 7.187 130.089 122.820 0.138 0.000 2.915 1259 A HA 0.278 4.553 4.320 -0.075 0.000 0.292 1259 A C 0.174 177.950 177.584 0.320 0.000 1.632 1259 A CA -0.387 51.772 52.037 0.203 0.000 1.337 1259 A CB -0.635 18.377 19.000 0.021 0.000 1.111 1259 A HN 0.675 nan 8.150 nan 0.000 0.569 1260 K N 1.459 122.090 120.400 0.386 0.000 2.185 1260 K HA 0.419 4.694 4.320 -0.075 0.000 0.271 1260 K C -0.369 176.521 176.600 0.484 0.000 1.013 1260 K CA -0.300 56.224 56.287 0.396 0.000 0.943 1260 K CB 1.076 33.705 32.500 0.216 0.000 0.998 1260 K HN 0.580 nan 8.250 nan 0.000 0.468 1261 L N 2.813 124.308 121.223 0.452 0.000 2.426 1261 L HA 0.231 4.526 4.340 -0.075 0.000 0.271 1261 L C 0.183 177.290 176.870 0.396 0.000 1.169 1261 L CA -0.412 54.709 54.840 0.469 0.000 0.836 1261 L CB 0.580 42.889 42.059 0.417 0.000 1.112 1261 L HN 0.442 nan 8.230 nan 0.000 0.465 1262 V N -0.013 120.151 119.914 0.417 0.000 3.114 1262 V HA 0.900 4.975 4.120 -0.075 0.000 0.308 1262 V C -0.476 175.823 176.094 0.341 0.000 1.168 1262 V CA -0.869 61.633 62.300 0.338 0.000 1.015 1262 V CB 1.835 33.859 31.823 0.334 0.000 1.050 1262 V HN 0.801 nan 8.190 nan 0.000 0.433 1263 A N 1.749 124.723 122.820 0.258 0.000 2.292 1263 A HA 0.879 5.154 4.320 -0.075 0.000 0.319 1263 A C -0.033 177.689 177.584 0.230 0.000 1.206 1263 A CA -0.157 52.037 52.037 0.262 0.000 0.835 1263 A CB 1.190 20.294 19.000 0.173 0.000 1.164 1263 A HN 1.658 nan 8.150 nan 0.000 0.505 1264 S N 1.605 117.489 115.700 0.307 0.000 2.677 1264 S HA 0.274 4.699 4.470 -0.075 0.000 0.283 1264 S C 0.196 174.933 174.600 0.228 0.000 1.159 1264 S CA -0.738 57.575 58.200 0.188 0.000 1.001 1264 S CB 0.704 63.915 63.200 0.018 0.000 1.032 1264 S HN 0.669 nan 8.310 nan 0.000 0.487 1265 N N 2.508 121.288 118.700 0.133 0.000 2.520 1265 N HA -0.058 4.637 4.740 -0.075 0.000 0.185 1265 N C 1.193 176.781 175.510 0.131 0.000 1.068 1265 N CA 0.494 53.605 53.050 0.102 0.000 0.911 1265 N CB -0.177 38.333 38.487 0.038 0.000 0.961 1265 N HN 0.850 nan 8.380 nan 0.000 0.446 1266 W N 1.132 122.385 121.300 -0.078 0.000 2.321 1266 W HA -0.253 4.412 4.660 0.009 0.000 0.306 1266 W C 1.488 177.976 176.519 -0.051 0.000 1.217 1266 W CA 1.392 58.659 57.345 -0.131 0.000 1.257 1266 W CB -0.420 28.870 29.460 -0.284 0.000 1.145 1266 W HN 0.031 nan 8.180 nan 0.000 0.509 1267 Y N 0.811 121.321 120.300 0.350 0.000 2.145 1267 Y HA -0.262 4.241 4.550 -0.079 0.000 0.286 1267 Y C 2.245 178.243 175.900 0.165 0.000 1.145 1267 Y CA 2.242 60.492 58.100 0.250 0.000 1.148 1267 Y CB -1.460 37.269 38.460 0.448 0.000 0.981 1267 Y HN -0.028 nan 8.280 nan 0.000 0.507 1268 N N -0.086 118.851 118.700 0.395 0.000 2.348 1268 N HA -0.131 4.564 4.740 -0.075 0.000 0.185 1268 N C 1.299 176.856 175.510 0.078 0.000 1.019 1268 N CA 1.082 54.279 53.050 0.246 0.000 0.880 1268 N CB -0.255 38.231 38.487 -0.002 0.000 0.965 1268 N HN 0.331 nan 8.380 nan 0.000 0.437 1269 R N -0.261 120.210 120.500 -0.048 0.000 2.317 1269 R HA 0.160 4.455 4.340 -0.075 0.000 0.208 1269 R C -0.106 176.071 176.300 -0.205 0.000 0.914 1269 R CA 0.111 56.131 56.100 -0.133 0.000 1.060 1269 R CB 0.260 30.449 30.300 -0.184 0.000 1.015 1269 R HN 0.220 nan 8.270 nan 0.000 0.498 1270 Q N 0.650 120.311 119.800 -0.231 0.000 2.221 1270 Q HA 0.261 4.556 4.340 -0.075 0.000 0.242 1270 Q C 0.253 176.187 176.000 -0.111 0.000 0.940 1270 Q CA -0.545 55.103 55.803 -0.258 0.000 0.896 1270 Q CB 1.230 29.746 28.738 -0.371 0.000 1.226 1270 Q HN 0.119 nan 8.270 nan 0.000 0.463 1271 I N 1.705 122.217 120.570 -0.097 0.000 2.710 1271 I HA -0.109 4.016 4.170 -0.075 0.000 0.286 1271 I C 0.693 176.789 176.117 -0.034 0.000 1.181 1271 I CA 0.323 61.593 61.300 -0.050 0.000 1.430 1271 I CB 0.239 38.215 38.000 -0.040 0.000 1.367 1271 I HN 0.396 nan 8.210 nan 0.000 0.577 1272 E N 5.899 126.087 120.200 -0.021 0.000 2.415 1272 E HA 0.020 4.325 4.350 -0.075 0.000 0.262 1272 E C 0.336 176.923 176.600 -0.023 0.000 1.038 1272 E CA -0.202 56.185 56.400 -0.022 0.000 0.921 1272 E CB 0.322 30.014 29.700 -0.013 0.000 0.950 1272 E HN 0.482 nan 8.360 nan 0.000 0.438 1273 R N -0.088 120.393 120.500 -0.033 0.000 3.591 1273 R HA -0.249 4.046 4.340 -0.075 0.000 0.268 1273 R C -0.275 176.022 176.300 -0.005 0.000 1.102 1273 R CA 0.771 56.857 56.100 -0.023 0.000 0.732 1273 R CB -2.718 27.570 30.300 -0.019 0.000 1.117 1273 R HN 0.454 nan 8.270 nan 0.000 0.472 1274 S N -0.461 115.239 115.700 -0.001 0.000 2.707 1274 S HA 0.352 4.777 4.470 -0.075 0.000 0.276 1274 S C 1.670 176.299 174.600 0.049 0.000 1.179 1274 S CA -0.164 58.047 58.200 0.018 0.000 0.992 1274 S CB 1.916 65.121 63.200 0.008 0.000 1.030 1274 S HN 0.422 nan 8.310 nan 0.000 0.554 1275 S N 1.340 117.086 115.700 0.075 0.000 2.380 1275 S HA -0.252 4.173 4.470 -0.075 0.000 0.229 1275 S C 1.737 176.453 174.600 0.194 0.000 1.043 1275 S CA 1.370 59.652 58.200 0.138 0.000 1.038 1275 S CB -0.795 62.492 63.200 0.145 0.000 0.872 1275 S HN 0.795 nan 8.310 nan 0.000 0.456 1276 R N 1.160 121.757 120.500 0.161 0.000 2.237 1276 R HA 0.015 4.310 4.340 -0.075 0.000 0.219 1276 R C 2.275 178.720 176.300 0.242 0.000 1.080 1276 R CA 1.456 57.697 56.100 0.234 0.000 0.995 1276 R CB -0.566 29.838 30.300 0.174 0.000 0.875 1276 R HN 0.828 nan 8.270 nan 0.000 0.462 1277 T N -2.333 112.286 114.554 0.109 0.000 3.107 1277 T HA 0.165 4.470 4.350 -0.075 0.000 0.249 1277 T C 1.683 176.348 174.700 -0.058 0.000 1.096 1277 T CA -0.038 62.070 62.100 0.013 0.000 1.012 1277 T CB 0.059 68.890 68.868 -0.061 0.000 0.977 1277 T HN 0.068 nan 8.240 nan 0.000 0.527 1278 L N 1.041 122.291 121.223 0.045 0.000 2.083 1278 L HA 0.109 4.404 4.340 -0.075 0.000 0.209 1278 L C 3.002 179.861 176.870 -0.017 0.000 1.083 1278 L CA 1.377 56.255 54.840 0.062 0.000 0.752 1278 L CB -0.807 41.410 42.059 0.263 0.000 0.899 1278 L HN 0.492 nan 8.230 nan 0.000 0.433 1279 G N -0.554 108.200 108.800 -0.076 0.000 2.448 1279 G HA2 -0.257 3.658 3.960 -0.075 0.000 0.219 1279 G HA3 -0.257 3.658 3.960 -0.075 0.000 0.219 1279 G C 1.270 175.918 174.900 -0.419 0.000 1.127 1279 G CA 0.862 45.819 45.100 -0.240 0.000 0.766 1279 G HN 0.630 nan 8.290 nan 0.000 0.552 1280 C N -0.071 118.883 119.300 -0.576 0.000 2.760 1280 C HA 0.693 5.108 4.460 -0.075 0.000 0.293 1280 C C 0.551 175.329 174.990 -0.353 0.000 1.383 1280 C CA -1.354 57.316 59.018 -0.581 0.000 1.771 1280 C CB -1.053 26.113 27.740 -0.958 0.000 2.353 1280 C HN 0.035 nan 8.230 nan 0.000 0.578 1281 S N 0.450 115.901 115.700 -0.414 0.000 2.454 1281 S HA 0.695 5.120 4.470 -0.075 0.000 0.306 1281 S C -1.195 173.171 174.600 -0.390 0.000 1.100 1281 S CA -0.123 57.925 58.200 -0.252 0.000 1.087 1281 S CB 0.708 63.808 63.200 -0.167 0.000 1.019 1281 S HN 0.697 nan 8.310 nan 0.000 0.480 1282 W N 1.044 122.281 121.300 -0.105 0.000 2.950 1282 W HA 0.521 5.135 4.660 -0.076 0.000 0.340 1282 W C -0.051 176.359 176.519 -0.182 0.000 1.139 1282 W CA -0.683 56.552 57.345 -0.183 0.000 1.188 1282 W CB 1.131 30.418 29.460 -0.288 0.000 1.426 1282 W HN 0.474 nan 8.180 nan 0.000 0.531 1283 E N 1.143 121.354 120.200 0.018 0.000 2.277 1283 E HA 0.481 4.786 4.350 -0.075 0.000 0.266 1283 E C -1.649 174.818 176.600 -0.222 0.000 0.901 1283 E CA -1.181 55.216 56.400 -0.006 0.000 0.782 1283 E CB 2.378 32.154 29.700 0.125 0.000 1.228 1283 E HN 0.156 nan 8.360 nan 0.000 0.424 1284 F N 1.645 121.509 119.950 -0.143 0.000 2.388 1284 F HA 0.408 4.890 4.527 -0.076 0.000 0.358 1284 F C 0.148 175.836 175.800 -0.186 0.000 1.122 1284 F CA -0.639 57.184 58.000 -0.295 0.000 1.056 1284 F CB 0.878 39.409 39.000 -0.781 0.000 1.155 1284 F HN 0.173 nan 8.300 nan 0.000 0.461 1285 I N 6.373 127.023 120.570 0.133 0.000 2.359 1285 I HA 0.308 4.433 4.170 -0.075 0.000 0.284 1285 I C -2.412 174.013 176.117 0.514 0.000 1.018 1285 I CA -2.057 59.313 61.300 0.115 0.000 1.173 1285 I CB 1.231 39.115 38.000 -0.194 0.000 1.326 1285 I HN 0.262 nan 8.210 nan 0.000 0.462 1286 P HA 0.203 nan 4.420 nan 0.000 0.282 1286 P C -0.247 177.397 177.300 0.573 0.000 1.259 1286 P CA -0.388 63.027 63.100 0.525 0.000 0.826 1286 P CB 1.523 33.498 31.700 0.459 0.000 1.064 1287 V N 2.193 122.242 119.914 0.226 0.000 2.599 1287 V HA 0.064 4.139 4.120 -0.075 0.000 0.300 1287 V C 0.736 176.986 176.094 0.261 0.000 1.034 1287 V CA 0.940 63.296 62.300 0.093 0.000 1.115 1287 V CB -0.220 31.502 31.823 -0.168 0.000 0.934 1287 V HN 0.653 nan 8.190 nan 0.000 0.485 1288 D N 2.791 123.386 120.400 0.324 0.000 2.964 1288 D HA 0.200 4.795 4.640 -0.075 0.000 0.234 1288 D C -0.151 176.234 176.300 0.142 0.000 1.223 1288 D CA -0.529 53.513 54.000 0.071 0.000 0.889 1288 D CB 2.341 42.859 40.800 -0.469 0.000 1.609 1288 D HN 0.486 nan 8.370 nan 0.000 0.523 1289 D N 2.127 122.611 120.400 0.140 0.000 2.309 1289 D HA -0.030 4.565 4.640 -0.075 0.000 0.212 1289 D C 1.842 178.297 176.300 0.260 0.000 0.968 1289 D CA 0.621 54.733 54.000 0.188 0.000 0.882 1289 D CB 0.006 40.922 40.800 0.193 0.000 0.918 1289 D HN 0.607 nan 8.370 nan 0.000 0.503 1290 G N -0.757 108.177 108.800 0.225 0.000 2.848 1290 G HA2 -0.173 3.742 3.960 -0.075 0.000 0.208 1290 G HA3 -0.173 3.742 3.960 -0.075 0.000 0.208 1290 G C 1.164 176.192 174.900 0.213 0.000 1.152 1290 G CA -0.165 45.047 45.100 0.186 0.000 0.789 1290 G HN 0.313 nan 8.290 nan 0.000 0.531 1291 W N -0.033 121.271 121.300 0.006 0.000 2.699 1291 W HA 0.207 4.823 4.660 -0.073 0.000 0.267 1291 W C 1.628 178.286 176.519 0.231 0.000 1.182 1291 W CA 0.836 58.217 57.345 0.060 0.000 1.453 1291 W CB 0.487 29.977 29.460 0.050 0.000 1.054 1291 W HN 0.363 nan 8.180 nan 0.000 0.595 1292 G N 1.657 110.533 108.800 0.126 0.000 2.176 1292 G HA2 -0.347 3.568 3.960 -0.075 0.000 0.253 1292 G HA3 -0.347 3.568 3.960 -0.075 0.000 0.253 1292 G C 0.128 174.940 174.900 -0.146 0.000 0.979 1292 G CA 0.424 45.423 45.100 -0.168 0.000 0.641 1292 G HN 0.418 nan 8.290 nan 0.000 0.530 1293 E N 0.684 120.819 120.200 -0.109 0.000 2.373 1293 E HA 0.416 4.721 4.350 -0.075 0.000 0.267 1293 E C 0.148 176.889 176.600 0.236 0.000 1.032 1293 E CA -0.617 55.764 56.400 -0.031 0.000 0.889 1293 E CB 0.341 29.928 29.700 -0.189 0.000 0.984 1293 E HN 0.094 nan 8.360 nan 0.000 0.425 1294 R N 4.715 125.309 120.500 0.157 0.000 2.229 1294 R HA 0.346 4.641 4.340 -0.075 0.000 0.328 1294 R C -2.303 174.133 176.300 0.226 0.000 1.009 1294 R CA -2.504 53.708 56.100 0.186 0.000 0.864 1294 R CB 0.593 30.945 30.300 0.088 0.000 1.085 1294 R HN 0.505 nan 8.270 nan 0.000 0.453 1295 P HA 0.066 nan 4.420 nan 0.000 0.267 1295 P C 0.831 178.207 177.300 0.127 0.000 1.200 1295 P CA -0.172 63.068 63.100 0.233 0.000 0.772 1295 P CB 0.705 32.520 31.700 0.191 0.000 0.855 1296 L N 0.186 121.461 121.223 0.087 0.000 2.141 1296 L HA -0.120 4.175 4.340 -0.075 0.000 0.209 1296 L C 1.396 178.301 176.870 0.060 0.000 1.094 1296 L CA 1.425 56.297 54.840 0.055 0.000 0.763 1296 L CB -0.464 41.610 42.059 0.025 0.000 0.908 1296 L HN 0.574 nan 8.230 nan 0.000 0.437 1297 Q N 0.000 119.847 119.800 0.078 0.000 2.315 1297 Q HA 0.000 4.295 4.340 -0.075 0.000 0.214 1297 Q CA 0.000 55.847 55.803 0.073 0.000 1.022 1297 Q CB 0.000 28.776 28.738 0.064 0.000 1.108 1297 Q HN 0.000 nan 8.270 nan 0.000 0.481