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 2zle_1_H DATA FIRST_RESID 2723 DATA SEQUENCE QMPSLAPMLE KVMPSVVSIN VEGSTTVNTP RMPRNFQQFF GGQQQKFMAL DATA SEQUENCE GSGVIIDADK GYVVTNNHVV DNATVIKVQL SDGRKFDAKM VGKDPRSDIA DATA SEQUENCE LIQIQNPKNL TAIKMADSDA LRVGDYTVAI GNPFGLGETV TSGIVSALGR DATA SEQUENCE ENFIQTDAAI NRGNSGGALV NLNGELIGIN TAILAPDGGN IGIGFAIPSN DATA SEQUENCE MVKNLTSQMV EYGQVKRGEL GIMGTELNSE LAKAMKVDAQ RGAFVSQVLP DATA SEQUENCE NSSAAKAGIK AGDVITSLNG KPISSFAALR AQVGTMPVGS KLTLGLLRDG DATA SEQUENCE KQVNVNLELQ QSSQNQVDSS SIFNEMSNKG KDQGVVVNNV KTGTPAAQIG DATA SEQUENCE LKKGDVIIGA NQQAVKNIAE LRKVLDSKPS VLALNIQRGD STIYLL 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 2723 Q HA 0.000 nan 4.340 nan 0.000 0.214 2723 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 2723 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 2723 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 2724 M N 0.951 120.546 119.600 -0.008 0.000 2.472 2724 M HA 0.825 5.305 4.480 -0.001 0.000 0.331 2724 M C -2.105 174.187 176.300 -0.015 0.000 1.170 2724 M CA -1.840 53.453 55.300 -0.011 0.000 1.009 2724 M CB 0.280 32.873 32.600 -0.010 0.000 1.672 2724 M HN 0.174 nan 8.290 nan 0.000 0.453 2725 P HA 0.304 nan 4.420 nan 0.000 0.269 2725 P C -0.958 176.324 177.300 -0.029 0.000 1.215 2725 P CA -0.220 62.863 63.100 -0.028 0.000 0.780 2725 P CB 0.756 32.433 31.700 -0.038 0.000 0.898 2726 S N 0.132 115.813 115.700 -0.031 0.000 2.543 2726 S HA 0.279 4.749 4.470 -0.001 0.000 0.274 2726 S C 0.116 174.698 174.600 -0.030 0.000 1.149 2726 S CA -0.681 57.502 58.200 -0.028 0.000 0.866 2726 S CB 0.456 63.645 63.200 -0.017 0.000 1.111 2726 S HN 0.301 nan 8.310 nan 0.000 0.457 2727 L N 3.019 124.225 121.223 -0.030 0.000 2.558 2727 L HA 0.242 4.581 4.340 -0.001 0.000 0.225 2727 L C 2.529 179.392 176.870 -0.011 0.000 1.128 2727 L CA 0.771 55.596 54.840 -0.025 0.000 0.868 2727 L CB -0.525 41.518 42.059 -0.027 0.000 1.006 2727 L HN 0.824 nan 8.230 nan 0.000 0.454 2728 A N 1.241 124.056 122.820 -0.009 0.000 1.940 2728 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 2728 A C -0.120 177.463 177.584 -0.001 0.000 1.176 2728 A CA 1.532 53.568 52.037 -0.003 0.000 0.631 2728 A CB -1.468 17.531 19.000 -0.002 0.000 0.814 2728 A HN 0.258 nan 8.150 nan 0.000 0.446 2729 P HA -0.147 nan 4.420 nan 0.000 0.217 2729 P C 1.688 178.988 177.300 0.000 0.000 1.150 2729 P CA 1.768 64.867 63.100 -0.001 0.000 0.832 2729 P CB -0.143 31.555 31.700 -0.003 0.000 0.787 2730 M N -2.925 116.675 119.600 -0.000 0.000 2.394 2730 M HA 0.078 4.558 4.480 -0.001 0.000 0.266 2730 M C 1.693 177.996 176.300 0.005 0.000 1.098 2730 M CA 1.780 57.082 55.300 0.003 0.000 1.149 2730 M CB -1.674 30.928 32.600 0.003 0.000 1.369 2730 M HN -0.233 nan 8.290 nan 0.000 0.450 2731 L N 0.496 121.722 121.223 0.005 0.000 2.127 2731 L HA -0.160 4.179 4.340 -0.001 0.000 0.211 2731 L C 2.284 179.159 176.870 0.009 0.000 1.089 2731 L CA 1.568 56.413 54.840 0.008 0.000 0.757 2731 L CB -0.878 41.186 42.059 0.008 0.000 0.899 2731 L HN 0.481 nan 8.230 nan 0.000 0.434 2732 E N 0.048 120.252 120.200 0.007 0.000 2.204 2732 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 2732 E C 1.843 178.448 176.600 0.008 0.000 0.989 2732 E CA 0.799 57.204 56.400 0.008 0.000 0.824 2732 E CB 0.112 29.817 29.700 0.007 0.000 0.756 2732 E HN 0.457 nan 8.360 nan 0.000 0.477 2733 K N -0.019 120.386 120.400 0.007 0.000 2.426 2733 K HA 0.049 4.368 4.320 -0.001 0.000 0.193 2733 K C 1.601 178.206 176.600 0.008 0.000 1.028 2733 K CA 0.195 56.486 56.287 0.007 0.000 1.047 2733 K CB 0.757 33.261 32.500 0.006 0.000 0.821 2733 K HN -0.026 nan 8.250 nan 0.000 0.513 2734 V N 0.739 120.659 119.914 0.009 0.000 2.690 2734 V HA -0.101 4.018 4.120 -0.001 0.000 0.240 2734 V C 2.038 178.139 176.094 0.012 0.000 1.078 2734 V CA 0.697 63.004 62.300 0.011 0.000 1.102 2734 V CB -0.100 31.730 31.823 0.012 0.000 0.800 2734 V HN 0.218 nan 8.190 nan 0.000 0.479 2735 M N 0.162 119.770 119.600 0.013 0.000 2.146 2735 M HA -0.173 4.307 4.480 -0.001 0.000 0.256 2735 M C -0.123 176.187 176.300 0.016 0.000 1.075 2735 M CA 2.171 57.481 55.300 0.016 0.000 1.082 2735 M CB -2.510 30.100 32.600 0.018 0.000 1.355 2735 M HN 0.265 nan 8.290 nan 0.000 0.402 2736 P HA -0.048 nan 4.420 nan 0.000 0.223 2736 P C 1.161 178.466 177.300 0.007 0.000 1.144 2736 P CA 1.086 64.194 63.100 0.014 0.000 0.783 2736 P CB -0.058 31.649 31.700 0.012 0.000 0.771 2737 S N -1.559 114.145 115.700 0.006 0.000 2.524 2737 S HA 0.066 4.535 4.470 -0.001 0.000 0.216 2737 S C 0.816 175.419 174.600 0.004 0.000 0.987 2737 S CA 0.084 58.284 58.200 0.001 0.000 0.909 2737 S CB -0.091 63.111 63.200 0.003 0.000 0.781 2737 S HN -0.063 nan 8.310 nan 0.000 0.521 2738 V N 3.393 123.313 119.914 0.011 0.000 2.465 2738 V HA 0.466 4.586 4.120 -0.001 0.000 0.279 2738 V C 0.185 176.290 176.094 0.018 0.000 1.045 2738 V CA -0.566 61.743 62.300 0.014 0.000 0.938 2738 V CB 1.199 33.033 31.823 0.018 0.000 0.986 2738 V HN 0.242 nan 8.190 nan 0.000 0.467 2739 V N 2.615 122.539 119.914 0.017 0.000 3.103 2739 V HA 0.842 4.962 4.120 -0.001 0.000 0.318 2739 V C -0.125 175.986 176.094 0.028 0.000 1.114 2739 V CA -0.491 61.824 62.300 0.026 0.000 1.020 2739 V CB 2.393 34.228 31.823 0.019 0.000 1.085 2739 V HN 0.733 nan 8.190 nan 0.000 0.446 2740 S N 1.538 117.260 115.700 0.038 0.000 2.638 2740 S HA 0.829 5.299 4.470 -0.001 0.000 0.298 2740 S C -0.515 174.108 174.600 0.038 0.000 1.111 2740 S CA -0.559 57.663 58.200 0.036 0.000 1.027 2740 S CB 1.319 64.544 63.200 0.041 0.000 1.064 2740 S HN 0.721 nan 8.310 nan 0.000 0.525 2741 I N 2.020 122.609 120.570 0.032 0.000 2.534 2741 I HA 0.364 4.533 4.170 -0.001 0.000 0.288 2741 I C -1.238 174.899 176.117 0.034 0.000 1.077 2741 I CA -0.618 60.702 61.300 0.032 0.000 1.051 2741 I CB 2.183 40.195 38.000 0.020 0.000 1.234 2741 I HN 0.472 nan 8.210 nan 0.000 0.425 2742 N N 4.513 123.234 118.700 0.035 0.000 2.442 2742 N HA 0.543 5.283 4.740 -0.001 0.000 0.274 2742 N C -1.127 174.397 175.510 0.024 0.000 1.002 2742 N CA -0.277 52.792 53.050 0.031 0.000 0.910 2742 N CB 2.270 40.772 38.487 0.025 0.000 1.244 2742 N HN 0.169 nan 8.380 nan 0.000 0.492 2743 V N 1.363 121.294 119.914 0.028 0.000 2.630 2743 V HA 0.508 4.628 4.120 -0.001 0.000 0.305 2743 V C -0.107 175.943 176.094 -0.074 0.000 1.046 2743 V CA -0.716 61.592 62.300 0.014 0.000 0.934 2743 V CB 1.827 33.699 31.823 0.083 0.000 1.003 2743 V HN 0.606 nan 8.190 nan 0.000 0.451 2744 E N 1.799 121.909 120.200 -0.150 0.000 2.256 2744 E HA 0.729 5.078 4.350 -0.001 0.000 0.268 2744 E C -0.464 175.898 176.600 -0.398 0.000 0.877 2744 E CA -0.323 55.896 56.400 -0.301 0.000 0.757 2744 E CB 2.194 31.795 29.700 -0.165 0.000 1.183 2744 E HN 0.922 nan 8.360 nan 0.000 0.418 2745 G N 1.381 109.696 108.800 -0.809 0.000 2.495 2745 G HA2 0.467 4.427 3.960 -0.001 0.000 0.294 2745 G HA3 0.467 4.427 3.960 -0.001 0.000 0.294 2745 G C -1.199 173.419 174.900 -0.470 0.000 1.397 2745 G CA -0.158 44.631 45.100 -0.519 0.000 0.790 2745 G HN 0.640 nan 8.290 nan 0.000 0.486 2746 S N -1.835 113.941 115.700 0.127 0.000 2.740 2746 S HA 0.923 5.393 4.470 -0.001 0.000 0.300 2746 S C -0.437 174.401 174.600 0.397 0.000 1.147 2746 S CA 0.101 58.474 58.200 0.287 0.000 0.871 2746 S CB 2.100 65.379 63.200 0.133 0.000 1.173 2746 S HN 1.828 nan 8.310 nan 0.000 0.510 2747 T N -0.703 114.010 114.554 0.265 0.000 2.718 2747 T HA 0.509 4.858 4.350 -0.001 0.000 0.306 2747 T C -1.544 173.218 174.700 0.103 0.000 1.485 2747 T CA -0.414 61.779 62.100 0.155 0.000 0.997 2747 T CB 1.334 70.254 68.868 0.087 0.000 1.504 2747 T HN 0.723 nan 8.240 nan 0.000 0.497 2748 T N 1.956 116.549 114.554 0.065 0.000 2.743 2748 T HA 0.610 4.960 4.350 -0.001 0.000 0.293 2748 T C -0.398 174.328 174.700 0.043 0.000 0.945 2748 T CA -0.288 61.844 62.100 0.053 0.000 1.030 2748 T CB 0.807 69.700 68.868 0.041 0.000 0.912 2748 T HN 0.588 nan 8.240 nan 0.000 0.483 2749 V N 4.715 124.658 119.914 0.049 0.000 2.919 2749 V HA 0.551 4.670 4.120 -0.001 0.000 0.316 2749 V C -0.488 175.634 176.094 0.047 0.000 1.077 2749 V CA -1.075 61.253 62.300 0.047 0.000 0.977 2749 V CB 2.062 33.919 31.823 0.055 0.000 1.039 2749 V HN 0.796 nan 8.190 nan 0.000 0.441 2750 N N 1.844 120.575 118.700 0.052 0.000 2.513 2750 N HA 0.260 4.999 4.740 -0.001 0.000 0.274 2750 N C -0.408 175.137 175.510 0.057 0.000 1.189 2750 N CA -0.122 52.961 53.050 0.055 0.000 0.975 2750 N CB 0.962 39.492 38.487 0.070 0.000 1.157 2750 N HN 0.723 nan 8.380 nan 0.000 0.465 2751 T N 2.992 117.577 114.554 0.052 0.000 2.752 2751 T HA 0.220 4.569 4.350 -0.001 0.000 0.295 2751 T C -2.108 172.624 174.700 0.052 0.000 0.923 2751 T CA -0.771 61.356 62.100 0.046 0.000 1.112 2751 T CB 0.314 69.205 68.868 0.038 0.000 0.884 2751 T HN 0.252 nan 8.240 nan 0.000 0.525 2752 P HA 0.109 nan 4.420 nan 0.000 0.264 2752 P C -0.159 177.158 177.300 0.029 0.000 1.193 2752 P CA -0.195 62.926 63.100 0.034 0.000 0.763 2752 P CB 0.479 32.191 31.700 0.019 0.000 0.810 2753 R N 3.283 123.800 120.500 0.028 0.000 2.294 2753 R HA 0.536 4.876 4.340 -0.001 0.000 0.319 2753 R C -0.166 176.132 176.300 -0.002 0.000 0.984 2753 R CA -0.669 55.446 56.100 0.024 0.000 0.861 2753 R CB 1.108 31.437 30.300 0.049 0.000 1.104 2753 R HN 0.474 nan 8.270 nan 0.000 0.451 2754 M N 2.117 121.715 119.600 -0.003 0.000 2.644 2754 M HA 0.425 4.904 4.480 -0.001 0.000 0.316 2754 M C -1.768 174.524 176.300 -0.013 0.000 1.200 2754 M CA -1.730 53.562 55.300 -0.013 0.000 0.944 2754 M CB 1.020 33.615 32.600 -0.007 0.000 1.691 2754 M HN 0.394 nan 8.290 nan 0.000 0.471 2755 P HA 0.381 nan 4.420 nan 0.000 0.288 2755 P C -1.197 176.079 177.300 -0.040 0.000 1.291 2755 P CA -0.472 62.612 63.100 -0.026 0.000 0.766 2755 P CB 0.523 32.206 31.700 -0.028 0.000 1.242 2756 R N 1.365 121.842 120.500 -0.038 0.000 2.310 2756 R HA 0.375 4.714 4.340 -0.001 0.000 0.324 2756 R C -0.535 175.733 176.300 -0.055 0.000 0.955 2756 R CA -0.522 55.547 56.100 -0.053 0.000 0.830 2756 R CB -0.107 30.175 30.300 -0.031 0.000 1.154 2756 R HN 0.359 nan 8.270 nan 0.000 0.458 2757 N N 3.756 122.393 118.700 -0.105 0.000 2.511 2757 N HA 0.051 4.790 4.740 -0.001 0.000 0.249 2757 N C 0.372 175.780 175.510 -0.170 0.000 0.971 2757 N CA -0.276 52.669 53.050 -0.176 0.000 0.938 2757 N CB 0.601 38.967 38.487 -0.201 0.000 1.131 2757 N HN 0.440 nan 8.380 nan 0.000 0.505 2758 F N 2.616 122.507 119.950 -0.097 0.000 2.771 2758 F HA 0.083 4.609 4.527 -0.001 0.000 0.299 2758 F C 1.020 176.770 175.800 -0.084 0.000 1.177 2758 F CA 0.156 58.105 58.000 -0.085 0.000 1.450 2758 F CB -0.086 38.881 39.000 -0.055 0.000 1.114 2758 F HN 0.458 nan 8.300 nan 0.000 0.587 2759 Q N 1.127 120.662 119.800 -0.441 0.000 2.211 2759 Q HA 0.219 4.558 4.340 -0.001 0.000 0.301 2759 Q C -0.377 175.369 176.000 -0.424 0.000 0.884 2759 Q CA -0.329 55.269 55.803 -0.343 0.000 1.115 2759 Q CB 0.216 28.687 28.738 -0.445 0.000 1.217 2759 Q HN 0.683 nan 8.270 nan 0.000 0.451 2760 Q N 1.361 120.908 119.800 -0.422 0.000 3.147 2760 Q HA 0.219 4.558 4.340 -0.001 0.000 0.224 2760 Q C -1.509 174.269 176.000 -0.370 0.000 0.901 2760 Q CA -0.763 54.727 55.803 -0.523 0.000 0.729 2760 Q CB 0.576 29.135 28.738 -0.299 0.000 1.363 2760 Q HN 0.400 nan 8.270 nan 0.000 0.467 2761 F N 3.660 123.665 119.950 0.091 0.000 2.556 2761 F HA 0.286 4.813 4.527 0.000 0.000 0.344 2761 F C 0.310 176.284 175.800 0.289 0.000 1.255 2761 F CA -1.225 56.886 58.000 0.185 0.000 1.091 2761 F CB -1.087 37.996 39.000 0.137 0.000 1.325 2761 F HN 0.316 nan 8.300 nan 0.000 0.627 2762 F N 1.179 121.204 119.950 0.126 0.000 2.290 2762 F HA 0.620 5.146 4.527 -0.001 0.000 0.282 2762 F C 0.953 176.815 175.800 0.103 0.000 1.251 2762 F CA -0.527 57.526 58.000 0.089 0.000 1.269 2762 F CB -0.409 38.616 39.000 0.043 0.000 1.455 2762 F HN 0.881 nan 8.300 nan 0.000 0.501 2763 G N -0.269 108.361 108.800 -0.284 0.000 3.277 2763 G HA2 0.346 4.306 3.960 -0.001 0.000 0.684 2763 G HA3 0.346 4.306 3.960 -0.001 0.000 0.684 2763 G C -0.646 174.174 174.900 -0.134 0.000 0.923 2763 G CA -0.489 44.367 45.100 -0.406 0.000 0.779 2763 G HN 1.676 nan 8.290 nan 0.000 0.508 2764 G N 1.752 110.571 108.800 0.031 0.000 2.741 2764 G HA2 0.930 4.890 3.960 -0.001 0.000 0.293 2764 G HA3 0.930 4.890 3.960 -0.001 0.000 0.293 2764 G C -0.643 174.278 174.900 0.035 0.000 1.457 2764 G CA 0.226 45.346 45.100 0.032 0.000 1.098 2764 G HN 1.477 nan 8.290 nan 0.000 0.536 2765 Q N 1.262 121.086 119.800 0.040 0.000 2.386 2765 Q HA 0.455 4.795 4.340 -0.001 0.000 0.274 2765 Q C -1.286 174.745 176.000 0.052 0.000 1.011 2765 Q CA -1.238 54.590 55.803 0.042 0.000 0.867 2765 Q CB 1.808 30.570 28.738 0.039 0.000 1.409 2765 Q HN 0.310 nan 8.270 nan 0.000 0.395 2766 Q N 1.426 121.260 119.800 0.056 0.000 2.373 2766 Q HA 0.304 4.643 4.340 -0.001 0.000 0.255 2766 Q C -0.966 175.080 176.000 0.076 0.000 0.980 2766 Q CA 0.243 56.089 55.803 0.072 0.000 0.882 2766 Q CB 1.210 29.991 28.738 0.072 0.000 1.249 2766 Q HN 0.566 nan 8.270 nan 0.000 0.438 2767 Q N 0.908 120.771 119.800 0.104 0.000 2.305 2767 Q HA 0.337 4.676 4.340 -0.001 0.000 0.271 2767 Q C -1.215 174.879 176.000 0.157 0.000 1.046 2767 Q CA -0.349 55.521 55.803 0.111 0.000 0.798 2767 Q CB 1.711 30.516 28.738 0.112 0.000 1.286 2767 Q HN 0.268 nan 8.270 nan 0.000 0.435 2768 K N 2.353 122.811 120.400 0.097 0.000 2.237 2768 K HA 0.568 4.887 4.320 -0.001 0.000 0.270 2768 K C -0.428 176.233 176.600 0.102 0.000 1.015 2768 K CA -0.195 56.112 56.287 0.032 0.000 0.949 2768 K CB 0.589 33.066 32.500 -0.038 0.000 0.976 2768 K HN 0.561 nan 8.250 nan 0.000 0.472 2769 F N -1.217 118.752 119.950 0.032 0.000 2.685 2769 F HA 0.618 5.144 4.527 -0.001 0.000 0.315 2769 F C -1.146 174.673 175.800 0.032 0.000 1.126 2769 F CA -1.422 56.598 58.000 0.032 0.000 0.950 2769 F CB 1.260 40.281 39.000 0.035 0.000 1.360 2769 F HN 0.212 nan 8.300 nan 0.000 0.469 2770 M N 2.082 121.761 119.600 0.131 0.000 2.393 2770 M HA 0.772 5.252 4.480 -0.001 0.000 0.299 2770 M C -1.030 175.421 176.300 0.251 0.000 1.103 2770 M CA -0.810 54.517 55.300 0.044 0.000 0.910 2770 M CB 2.366 34.983 32.600 0.028 0.000 1.659 2770 M HN 0.988 nan 8.290 nan 0.000 0.445 2771 A N 3.393 126.341 122.820 0.212 0.000 2.469 2771 A HA 1.019 5.338 4.320 -0.001 0.000 0.299 2771 A C -1.654 175.999 177.584 0.116 0.000 1.098 2771 A CA -0.769 51.397 52.037 0.215 0.000 0.737 2771 A CB 1.948 21.121 19.000 0.289 0.000 1.312 2771 A HN 0.968 nan 8.150 nan 0.000 0.414 2772 L N 0.205 121.483 121.223 0.092 0.000 2.472 2772 L HA 0.947 5.286 4.340 -0.001 0.000 0.260 2772 L C -0.438 176.455 176.870 0.040 0.000 0.963 2772 L CA -0.105 54.770 54.840 0.059 0.000 0.829 2772 L CB 1.898 43.992 42.059 0.057 0.000 1.348 2772 L HN 1.257 nan 8.230 nan 0.000 0.408 2773 G N 1.477 110.288 108.800 0.018 0.000 2.682 2773 G HA2 0.615 4.575 3.960 -0.001 0.000 0.303 2773 G HA3 0.615 4.575 3.960 -0.001 0.000 0.303 2773 G C -1.760 173.140 174.900 -0.000 0.000 1.341 2773 G CA -0.458 44.640 45.100 -0.003 0.000 0.784 2773 G HN 0.665 nan 8.290 nan 0.000 0.497 2774 S N -1.955 113.741 115.700 -0.006 0.000 2.704 2774 S HA 0.918 5.388 4.470 -0.001 0.000 0.305 2774 S C 0.092 174.691 174.600 -0.003 0.000 1.107 2774 S CA 0.037 58.240 58.200 0.004 0.000 0.993 2774 S CB 1.731 64.937 63.200 0.010 0.000 1.110 2774 S HN 1.394 nan 8.310 nan 0.000 0.534 2775 G N -0.341 108.462 108.800 0.005 0.000 2.684 2775 G HA2 0.617 4.577 3.960 -0.001 0.000 0.290 2775 G HA3 0.617 4.577 3.960 -0.001 0.000 0.290 2775 G C -2.002 172.903 174.900 0.008 0.000 1.425 2775 G CA -0.447 44.655 45.100 0.003 0.000 0.822 2775 G HN 0.611 nan 8.290 nan 0.000 0.482 2776 V N 0.988 120.907 119.914 0.008 0.000 2.531 2776 V HA 0.382 4.502 4.120 -0.001 0.000 0.301 2776 V C 0.076 176.176 176.094 0.009 0.000 1.034 2776 V CA -0.615 61.690 62.300 0.008 0.000 0.865 2776 V CB 1.648 33.478 31.823 0.011 0.000 0.995 2776 V HN 0.665 nan 8.190 nan 0.000 0.424 2777 I N 5.036 125.607 120.570 0.002 0.000 2.587 2777 I HA 0.076 4.246 4.170 -0.001 0.000 0.284 2777 I C 0.682 176.807 176.117 0.014 0.000 1.134 2777 I CA 0.459 61.758 61.300 -0.000 0.000 1.410 2777 I CB 0.781 38.766 38.000 -0.025 0.000 1.392 2777 I HN 0.567 nan 8.210 nan 0.000 0.545 2778 I N 4.193 124.786 120.570 0.039 0.000 4.323 2778 I HA 0.152 4.321 4.170 -0.001 0.000 0.328 2778 I C 0.053 176.210 176.117 0.066 0.000 1.310 2778 I CA 0.755 62.082 61.300 0.045 0.000 1.186 2778 I CB 0.253 38.275 38.000 0.037 0.000 1.130 2778 I HN 0.475 nan 8.210 nan 0.000 0.411 2779 D N -0.244 120.206 120.400 0.083 0.000 2.386 2779 D HA 0.406 5.046 4.640 -0.001 0.000 0.247 2779 D C 0.805 177.084 176.300 -0.035 0.000 1.336 2779 D CA 0.130 54.165 54.000 0.058 0.000 0.976 2779 D CB 1.560 42.463 40.800 0.172 0.000 1.257 2779 D HN 0.035 nan 8.370 nan 0.000 0.570 2780 A N 3.405 126.199 122.820 -0.043 0.000 1.933 2780 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 2780 A C 1.613 179.133 177.584 -0.107 0.000 1.175 2780 A CA 1.541 53.534 52.037 -0.073 0.000 0.628 2780 A CB -0.095 18.875 19.000 -0.050 0.000 0.814 2780 A HN 0.530 nan 8.150 nan 0.000 0.444 2781 D N -0.632 119.706 120.400 -0.104 0.000 2.103 2781 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 2781 D C 1.841 178.021 176.300 -0.199 0.000 0.978 2781 D CA 0.969 54.896 54.000 -0.122 0.000 0.829 2781 D CB 0.026 40.771 40.800 -0.091 0.000 0.981 2781 D HN 0.135 nan 8.370 nan 0.000 0.464 2782 K N -0.267 119.946 120.400 -0.313 0.000 2.459 2782 K HA 0.140 4.459 4.320 -0.001 0.000 0.193 2782 K C 0.883 177.134 176.600 -0.581 0.000 1.030 2782 K CA 0.598 56.542 56.287 -0.571 0.000 1.026 2782 K CB 0.376 32.213 32.500 -1.105 0.000 0.809 2782 K HN 0.218 nan 8.250 nan 0.000 0.504 2783 G N 1.782 110.368 108.800 -0.357 0.000 2.272 2783 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.280 2783 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.280 2783 G C -0.413 174.403 174.900 -0.140 0.000 1.067 2783 G CA -0.037 44.915 45.100 -0.246 0.000 0.902 2783 G HN 0.394 nan 8.290 nan 0.000 0.500 2784 Y N -0.821 119.440 120.300 -0.064 0.000 2.404 2784 Y HA 0.439 4.988 4.550 -0.001 0.000 0.344 2784 Y C 0.675 176.546 175.900 -0.048 0.000 0.995 2784 Y CA -1.145 56.925 58.100 -0.049 0.000 1.201 2784 Y CB 1.456 39.891 38.460 -0.041 0.000 1.151 2784 Y HN 0.065 nan 8.280 nan 0.000 0.517 2785 V N 5.797 125.791 119.914 0.134 0.000 2.448 2785 V HA 0.216 4.336 4.120 -0.001 0.000 0.295 2785 V C -0.382 175.729 176.094 0.028 0.000 1.025 2785 V CA -0.886 61.445 62.300 0.052 0.000 0.859 2785 V CB 1.786 33.622 31.823 0.023 0.000 0.988 2785 V HN 0.498 nan 8.190 nan 0.000 0.431 2786 V N 5.328 125.249 119.914 0.012 0.000 2.607 2786 V HA 0.786 4.905 4.120 -0.001 0.000 0.289 2786 V C 0.200 176.292 176.094 -0.005 0.000 1.053 2786 V CA 0.778 63.075 62.300 -0.005 0.000 0.996 2786 V CB 1.755 33.572 31.823 -0.010 0.000 0.995 2786 V HN 1.105 nan 8.190 nan 0.000 0.476 2787 T N 4.007 118.553 114.554 -0.013 0.000 2.665 2787 T HA 0.412 4.762 4.350 -0.001 0.000 0.303 2787 T C -0.983 173.693 174.700 -0.040 0.000 1.334 2787 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 2787 T CB 1.246 70.096 68.868 -0.031 0.000 1.573 2787 T HN 0.745 nan 8.240 nan 0.000 0.492 2788 N N 2.388 121.031 118.700 -0.095 0.000 2.529 2788 N HA 0.269 5.008 4.740 -0.001 0.000 0.278 2788 N C 1.134 176.557 175.510 -0.144 0.000 1.146 2788 N CA -0.571 52.404 53.050 -0.125 0.000 0.980 2788 N CB 0.648 38.946 38.487 -0.316 0.000 1.124 2788 N HN 0.616 nan 8.380 nan 0.000 0.458 2789 N N 1.869 120.551 118.700 -0.030 0.000 2.381 2789 N HA -0.202 4.537 4.740 -0.001 0.000 0.182 2789 N C 0.906 176.424 175.510 0.013 0.000 1.025 2789 N CA 0.868 53.919 53.050 0.000 0.000 0.888 2789 N CB -0.014 38.498 38.487 0.041 0.000 0.965 2789 N HN 0.724 nan 8.380 nan 0.000 0.438 2790 H N -0.779 118.304 119.070 0.021 0.000 2.555 2790 H HA 0.064 4.620 4.556 -0.001 0.000 0.269 2790 H C 1.522 176.862 175.328 0.020 0.000 0.988 2790 H CA 0.415 56.468 56.048 0.008 0.000 1.178 2790 H CB 0.083 29.844 29.762 -0.002 0.000 1.373 2790 H HN 0.069 nan 8.280 nan 0.000 0.588 2791 V N 1.373 121.135 119.914 -0.254 0.000 2.521 2791 V HA -0.128 3.992 4.120 -0.001 0.000 0.239 2791 V C 2.878 178.986 176.094 0.024 0.000 1.053 2791 V CA 1.020 63.250 62.300 -0.117 0.000 1.073 2791 V CB 0.006 31.720 31.823 -0.182 0.000 0.746 2791 V HN 0.453 nan 8.190 nan 0.000 0.476 2792 V N -1.811 118.107 119.914 0.006 0.000 3.306 2792 V HA 0.110 4.230 4.120 -0.001 0.000 0.264 2792 V C 0.898 177.047 176.094 0.092 0.000 1.149 2792 V CA 0.407 62.742 62.300 0.058 0.000 1.143 2792 V CB -0.536 31.305 31.823 0.031 0.000 0.767 2792 V HN 0.458 nan 8.190 nan 0.000 0.476 2793 D N 2.217 122.661 120.400 0.073 0.000 2.533 2793 D HA -0.044 4.596 4.640 -0.001 0.000 0.236 2793 D C 0.871 177.250 176.300 0.132 0.000 1.137 2793 D CA 1.170 55.213 54.000 0.072 0.000 0.867 2793 D CB -0.054 40.769 40.800 0.038 0.000 1.170 2793 D HN 0.492 nan 8.370 nan 0.000 0.474 2794 N N 0.509 119.287 118.700 0.130 0.000 2.800 2794 N HA -0.201 4.538 4.740 -0.001 0.000 0.250 2794 N C -0.543 175.148 175.510 0.301 0.000 1.078 2794 N CA 0.956 54.129 53.050 0.205 0.000 0.804 2794 N CB -1.356 37.255 38.487 0.207 0.000 1.135 2794 N HN 0.528 nan 8.380 nan 0.000 0.565 2795 A N -0.242 122.709 122.820 0.219 0.000 2.407 2795 A HA 0.449 4.769 4.320 -0.001 0.000 0.248 2795 A C 1.321 178.970 177.584 0.109 0.000 1.082 2795 A CA 0.891 53.020 52.037 0.153 0.000 0.785 2795 A CB 0.454 19.520 19.000 0.110 0.000 1.020 2795 A HN 0.229 nan 8.150 nan 0.000 0.489 2796 T N 0.366 114.958 114.554 0.063 0.000 3.056 2796 T HA 0.235 4.585 4.350 -0.001 0.000 0.243 2796 T C 0.025 174.769 174.700 0.073 0.000 0.995 2796 T CA 0.620 62.779 62.100 0.100 0.000 1.091 2796 T CB 0.271 69.176 68.868 0.063 0.000 0.990 2796 T HN 0.378 nan 8.240 nan 0.000 0.464 2797 V N 2.833 122.757 119.914 0.016 0.000 2.525 2797 V HA 0.610 4.730 4.120 -0.001 0.000 0.299 2797 V C -1.371 174.731 176.094 0.012 0.000 1.034 2797 V CA -1.205 61.103 62.300 0.014 0.000 0.863 2797 V CB 1.793 33.608 31.823 -0.014 0.000 0.999 2797 V HN 0.430 nan 8.190 nan 0.000 0.423 2798 I N 4.147 124.737 120.570 0.034 0.000 2.410 2798 I HA 0.623 4.793 4.170 -0.001 0.000 0.286 2798 I C -0.481 175.662 176.117 0.044 0.000 1.009 2798 I CA -0.088 61.235 61.300 0.037 0.000 1.111 2798 I CB 1.170 39.197 38.000 0.046 0.000 1.262 2798 I HN 0.479 nan 8.210 nan 0.000 0.443 2799 K N 5.297 125.721 120.400 0.040 0.000 2.123 2799 K HA 0.795 5.115 4.320 -0.001 0.000 0.259 2799 K C -1.290 175.350 176.600 0.067 0.000 0.960 2799 K CA -0.938 55.382 56.287 0.055 0.000 0.872 2799 K CB 2.357 34.880 32.500 0.039 0.000 1.079 2799 K HN 0.493 nan 8.250 nan 0.000 0.440 2800 V N 2.374 122.349 119.914 0.101 0.000 2.656 2800 V HA 0.278 4.398 4.120 -0.001 0.000 0.307 2800 V C -0.892 175.296 176.094 0.156 0.000 1.051 2800 V CA -0.797 61.568 62.300 0.109 0.000 0.893 2800 V CB 1.727 33.607 31.823 0.095 0.000 0.999 2800 V HN 0.721 nan 8.190 nan 0.000 0.426 2801 Q N 3.837 123.708 119.800 0.119 0.000 2.327 2801 Q HA 0.608 4.947 4.340 -0.001 0.000 0.270 2801 Q C -1.025 175.046 176.000 0.119 0.000 1.022 2801 Q CA -0.580 55.300 55.803 0.129 0.000 0.773 2801 Q CB 1.643 30.427 28.738 0.077 0.000 1.251 2801 Q HN 0.719 nan 8.270 nan 0.000 0.457 2802 L N 1.421 122.743 121.223 0.165 0.000 2.473 2802 L HA 0.046 4.386 4.340 -0.001 0.000 0.265 2802 L C 1.604 178.521 176.870 0.079 0.000 1.243 2802 L CA 0.345 55.254 54.840 0.116 0.000 0.822 2802 L CB 0.370 42.527 42.059 0.165 0.000 1.101 2802 L HN 0.851 nan 8.230 nan 0.000 0.507 2803 S N -0.964 114.770 115.700 0.057 0.000 2.522 2803 S HA -0.120 4.350 4.470 -0.001 0.000 0.227 2803 S C 1.060 175.687 174.600 0.044 0.000 0.986 2803 S CA 0.699 58.925 58.200 0.044 0.000 0.929 2803 S CB -0.325 62.896 63.200 0.034 0.000 0.769 2803 S HN 0.835 nan 8.310 nan 0.000 0.529 2804 D N -0.003 120.429 120.400 0.053 0.000 2.340 2804 D HA 0.253 4.893 4.640 -0.001 0.000 0.220 2804 D C 1.454 177.780 176.300 0.044 0.000 1.039 2804 D CA 0.687 54.715 54.000 0.046 0.000 0.866 2804 D CB -0.479 40.351 40.800 0.049 0.000 0.913 2804 D HN 0.584 nan 8.370 nan 0.000 0.523 2805 G N 0.171 109.002 108.800 0.053 0.000 2.195 2805 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.224 2805 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.224 2805 G C 0.260 175.178 174.900 0.030 0.000 0.990 2805 G CA -0.217 44.906 45.100 0.038 0.000 0.639 2805 G HN 0.430 nan 8.290 nan 0.000 0.514 2806 R N 0.890 121.426 120.500 0.059 0.000 2.543 2806 R HA 0.525 4.865 4.340 -0.001 0.000 0.277 2806 R C 0.363 176.661 176.300 -0.004 0.000 1.074 2806 R CA 0.333 56.430 56.100 -0.005 0.000 1.076 2806 R CB 0.527 30.884 30.300 0.096 0.000 0.993 2806 R HN 0.241 nan 8.270 nan 0.000 0.459 2807 K N 2.456 122.716 120.400 -0.232 0.000 2.164 2807 K HA 0.444 4.763 4.320 -0.001 0.000 0.258 2807 K C -0.943 175.421 176.600 -0.392 0.000 0.951 2807 K CA -0.433 55.772 56.287 -0.136 0.000 0.844 2807 K CB 1.271 33.715 32.500 -0.093 0.000 1.099 2807 K HN 0.247 nan 8.250 nan 0.000 0.435 2808 F N -0.158 119.794 119.950 0.003 0.000 2.675 2808 F HA 0.333 4.859 4.527 -0.001 0.000 0.324 2808 F C -0.070 175.733 175.800 0.005 0.000 1.106 2808 F CA -0.951 57.050 58.000 0.002 0.000 0.970 2808 F CB 1.563 40.564 39.000 0.002 0.000 1.385 2808 F HN 0.342 nan 8.300 nan 0.000 0.489 2809 D N 0.259 120.797 120.400 0.229 0.000 2.272 2809 D HA 0.737 5.377 4.640 -0.001 0.000 0.247 2809 D C -0.925 175.446 176.300 0.118 0.000 0.990 2809 D CA -0.175 53.902 54.000 0.127 0.000 0.931 2809 D CB 2.064 42.916 40.800 0.086 0.000 1.195 2809 D HN 0.669 nan 8.370 nan 0.000 0.477 2810 A N 0.910 123.780 122.820 0.083 0.000 2.515 2810 A HA 0.700 5.019 4.320 -0.001 0.000 0.296 2810 A C -0.981 176.641 177.584 0.063 0.000 1.094 2810 A CA -0.751 51.326 52.037 0.067 0.000 0.718 2810 A CB 1.884 20.919 19.000 0.057 0.000 1.307 2810 A HN 0.364 nan 8.150 nan 0.000 0.408 2811 K N 1.267 121.704 120.400 0.062 0.000 2.426 2811 K HA 0.477 4.796 4.320 -0.001 0.000 0.251 2811 K C -0.976 175.660 176.600 0.060 0.000 0.941 2811 K CA -1.010 55.314 56.287 0.063 0.000 0.808 2811 K CB 1.707 34.246 32.500 0.064 0.000 1.265 2811 K HN 0.661 nan 8.250 nan 0.000 0.432 2812 M N 2.245 121.875 119.600 0.051 0.000 2.252 2812 M HA -0.023 4.457 4.480 -0.001 0.000 0.348 2812 M C 1.009 177.331 176.300 0.037 0.000 1.334 2812 M CA 0.416 55.740 55.300 0.039 0.000 1.071 2812 M CB 0.795 33.414 32.600 0.031 0.000 1.763 2812 M HN 0.666 nan 8.290 nan 0.000 0.452 2813 V N 2.727 122.657 119.914 0.026 0.000 3.539 2813 V HA 0.567 4.687 4.120 -0.001 0.000 0.262 2813 V C 0.365 176.450 176.094 -0.015 0.000 1.381 2813 V CA 1.181 63.490 62.300 0.015 0.000 1.060 2813 V CB 1.068 32.902 31.823 0.019 0.000 0.842 2813 V HN 0.889 nan 8.190 nan 0.000 0.445 2814 G N 0.632 109.420 108.800 -0.020 0.000 2.579 2814 G HA2 0.579 4.539 3.960 -0.001 0.000 0.292 2814 G HA3 0.579 4.539 3.960 -0.001 0.000 0.292 2814 G C -1.579 173.312 174.900 -0.015 0.000 1.484 2814 G CA -0.294 44.793 45.100 -0.022 0.000 0.813 2814 G HN 0.655 nan 8.290 nan 0.000 0.515 2815 K N -0.363 120.033 120.400 -0.007 0.000 2.587 2815 K HA 0.684 5.003 4.320 -0.001 0.000 0.276 2815 K C -2.388 174.214 176.600 0.004 0.000 0.956 2815 K CA -0.973 55.313 56.287 -0.000 0.000 0.857 2815 K CB 2.691 35.196 32.500 0.008 0.000 1.431 2815 K HN 0.489 nan 8.250 nan 0.000 0.420 2816 D N 2.285 122.690 120.400 0.009 0.000 2.337 2816 D HA 0.322 4.961 4.640 -0.001 0.000 0.238 2816 D C -2.183 174.132 176.300 0.024 0.000 1.331 2816 D CA -1.807 52.200 54.000 0.011 0.000 0.967 2816 D CB 1.989 42.790 40.800 0.002 0.000 1.382 2816 D HN 0.275 nan 8.370 nan 0.000 0.549 2817 P HA -0.196 nan 4.420 nan 0.000 0.217 2817 P C 1.511 178.842 177.300 0.052 0.000 1.148 2817 P CA 0.720 63.846 63.100 0.042 0.000 0.834 2817 P CB 0.280 32.000 31.700 0.033 0.000 0.783 2818 R N 0.020 120.544 120.500 0.041 0.000 2.088 2818 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 2818 R C 2.385 178.731 176.300 0.077 0.000 1.136 2818 R CA 2.362 58.493 56.100 0.051 0.000 0.926 2818 R CB -1.561 28.754 30.300 0.025 0.000 0.837 2818 R HN 0.316 nan 8.270 nan 0.000 0.429 2819 S N 0.283 116.009 115.700 0.044 0.000 2.522 2819 S HA -0.107 4.362 4.470 -0.001 0.000 0.227 2819 S C 0.423 175.082 174.600 0.098 0.000 0.986 2819 S CA 0.932 59.153 58.200 0.034 0.000 0.929 2819 S CB -0.050 63.134 63.200 -0.027 0.000 0.769 2819 S HN 0.416 nan 8.310 nan 0.000 0.529 2820 D N -0.039 120.420 120.400 0.099 0.000 2.800 2820 D HA -0.150 4.489 4.640 -0.001 0.000 0.232 2820 D C -0.763 175.595 176.300 0.097 0.000 1.137 2820 D CA 0.603 54.679 54.000 0.126 0.000 0.718 2820 D CB -1.692 39.223 40.800 0.192 0.000 1.084 2820 D HN 0.526 nan 8.370 nan 0.000 0.432 2821 I N 0.094 120.694 120.570 0.050 0.000 2.474 2821 I HA 0.738 4.907 4.170 -0.001 0.000 0.294 2821 I C 0.537 176.657 176.117 0.004 0.000 1.005 2821 I CA -0.680 60.633 61.300 0.022 0.000 1.113 2821 I CB 1.513 39.517 38.000 0.006 0.000 1.289 2821 I HN 0.214 nan 8.210 nan 0.000 0.436 2822 A N 6.899 129.714 122.820 -0.009 0.000 2.498 2822 A HA 0.797 5.116 4.320 -0.001 0.000 0.298 2822 A C -1.546 176.023 177.584 -0.025 0.000 1.075 2822 A CA -0.567 51.461 52.037 -0.015 0.000 0.714 2822 A CB 2.278 21.272 19.000 -0.011 0.000 1.299 2822 A HN 0.668 nan 8.150 nan 0.000 0.407 2823 L N 2.534 123.736 121.223 -0.034 0.000 2.346 2823 L HA 0.760 5.100 4.340 -0.001 0.000 0.276 2823 L C -0.785 176.078 176.870 -0.012 0.000 1.006 2823 L CA -0.789 54.022 54.840 -0.048 0.000 0.817 2823 L CB 1.501 43.486 42.059 -0.123 0.000 1.272 2823 L HN 0.850 nan 8.230 nan 0.000 0.421 2824 I N 0.502 121.087 120.570 0.025 0.000 3.174 2824 I HA 0.548 4.718 4.170 -0.001 0.000 0.313 2824 I C -1.378 174.821 176.117 0.137 0.000 1.155 2824 I CA -0.828 60.510 61.300 0.063 0.000 0.977 2824 I CB 2.440 40.467 38.000 0.045 0.000 1.248 2824 I HN 0.575 nan 8.210 nan 0.000 0.453 2825 Q N 2.500 122.376 119.800 0.126 0.000 2.292 2825 Q HA 0.552 4.892 4.340 -0.001 0.000 0.270 2825 Q C -1.342 174.678 176.000 0.032 0.000 1.024 2825 Q CA -0.807 55.069 55.803 0.121 0.000 0.768 2825 Q CB 2.534 31.361 28.738 0.150 0.000 1.250 2825 Q HN 0.662 nan 8.270 nan 0.000 0.447 2826 I N 3.618 124.168 120.570 -0.034 0.000 2.598 2826 I HA -0.052 4.118 4.170 -0.001 0.000 0.284 2826 I C 0.256 176.353 176.117 -0.034 0.000 1.140 2826 I CA 0.074 61.333 61.300 -0.068 0.000 1.420 2826 I CB 0.547 38.397 38.000 -0.251 0.000 1.387 2826 I HN 0.366 nan 8.210 nan 0.000 0.553 2827 Q N 6.655 126.483 119.800 0.047 0.000 2.295 2827 Q HA 0.142 4.481 4.340 -0.001 0.000 0.259 2827 Q C -0.195 175.874 176.000 0.114 0.000 0.976 2827 Q CA 0.057 55.899 55.803 0.065 0.000 0.923 2827 Q CB 0.612 29.398 28.738 0.081 0.000 1.185 2827 Q HN 0.552 nan 8.270 nan 0.000 0.410 2828 N N 1.100 119.839 118.700 0.066 0.000 2.806 2828 N HA -0.103 4.636 4.740 -0.001 0.000 0.248 2828 N C -2.472 173.122 175.510 0.141 0.000 1.081 2828 N CA 0.187 53.300 53.050 0.104 0.000 0.680 2828 N CB -1.181 37.393 38.487 0.145 0.000 0.941 2828 N HN 0.442 nan 8.380 nan 0.000 0.554 2829 P HA 0.248 nan 4.420 nan 0.000 0.272 2829 P C -0.162 177.135 177.300 -0.006 0.000 1.223 2829 P CA 0.305 63.306 63.100 -0.165 0.000 0.784 2829 P CB 1.031 32.594 31.700 -0.229 0.000 0.923 2830 K N 1.832 122.249 120.400 0.029 0.000 2.535 2830 K HA 0.233 4.552 4.320 -0.001 0.000 0.251 2830 K C -0.667 175.966 176.600 0.055 0.000 0.942 2830 K CA -0.524 55.812 56.287 0.082 0.000 0.798 2830 K CB 0.574 33.174 32.500 0.167 0.000 1.267 2830 K HN 0.356 nan 8.250 nan 0.000 0.434 2831 N N 2.828 121.540 118.700 0.019 0.000 2.650 2831 N HA -0.225 4.515 4.740 -0.001 0.000 0.272 2831 N C -1.188 174.318 175.510 -0.006 0.000 1.058 2831 N CA 0.768 53.825 53.050 0.011 0.000 0.765 2831 N CB -0.765 37.742 38.487 0.034 0.000 0.902 2831 N HN 0.345 nan 8.380 nan 0.000 0.551 2832 L N 0.520 121.716 121.223 -0.045 0.000 2.332 2832 L HA 0.547 4.887 4.340 -0.001 0.000 0.269 2832 L C 0.784 177.628 176.870 -0.042 0.000 1.016 2832 L CA -0.152 54.648 54.840 -0.066 0.000 0.809 2832 L CB 1.800 43.784 42.059 -0.125 0.000 1.280 2832 L HN 0.162 nan 8.230 nan 0.000 0.447 2833 T N 1.466 115.999 114.554 -0.035 0.000 2.824 2833 T HA 0.805 5.155 4.350 -0.001 0.000 0.282 2833 T C -0.656 174.032 174.700 -0.020 0.000 0.993 2833 T CA -0.548 61.540 62.100 -0.021 0.000 0.967 2833 T CB 1.601 70.464 68.868 -0.009 0.000 0.960 2833 T HN 0.684 nan 8.240 nan 0.000 0.441 2834 A N 3.102 125.913 122.820 -0.015 0.000 2.325 2834 A HA 0.814 5.133 4.320 -0.001 0.000 0.333 2834 A C -0.137 177.447 177.584 -0.001 0.000 1.155 2834 A CA -0.781 51.252 52.037 -0.007 0.000 0.814 2834 A CB 0.550 19.547 19.000 -0.004 0.000 1.206 2834 A HN 0.942 nan 8.150 nan 0.000 0.482 2835 I N 0.878 121.450 120.570 0.003 0.000 2.823 2835 I HA 0.234 4.403 4.170 -0.001 0.000 0.290 2835 I C 0.591 176.712 176.117 0.006 0.000 1.091 2835 I CA -0.337 60.966 61.300 0.005 0.000 1.365 2835 I CB 0.723 38.727 38.000 0.008 0.000 1.427 2835 I HN 0.704 nan 8.210 nan 0.000 0.583 2836 K N 7.084 127.487 120.400 0.006 0.000 2.172 2836 K HA 0.365 4.684 4.320 -0.001 0.000 0.276 2836 K C -1.034 175.570 176.600 0.006 0.000 1.013 2836 K CA -0.562 55.728 56.287 0.005 0.000 0.913 2836 K CB 1.034 33.538 32.500 0.005 0.000 1.055 2836 K HN 0.622 nan 8.250 nan 0.000 0.461 2837 M N 3.335 122.937 119.600 0.004 0.000 2.188 2837 M HA 0.265 4.744 4.480 -0.001 0.000 0.357 2837 M C -0.143 176.158 176.300 0.002 0.000 1.204 2837 M CA -0.440 54.862 55.300 0.003 0.000 1.095 2837 M CB 1.713 34.312 32.600 -0.000 0.000 1.604 2837 M HN 0.776 nan 8.290 nan 0.000 0.464 2838 A N 1.834 124.656 122.820 0.003 0.000 2.242 2838 A HA 0.346 4.666 4.320 -0.001 0.000 0.304 2838 A C -0.574 177.010 177.584 -0.001 0.000 1.100 2838 A CA -0.578 51.461 52.037 0.003 0.000 0.860 2838 A CB 0.502 19.505 19.000 0.006 0.000 1.168 2838 A HN 0.713 nan 8.150 nan 0.000 0.503 2839 D N 0.239 120.637 120.400 -0.002 0.000 2.393 2839 D HA 0.294 4.933 4.640 -0.001 0.000 0.232 2839 D C 1.033 177.329 176.300 -0.007 0.000 1.192 2839 D CA 0.297 54.294 54.000 -0.005 0.000 0.882 2839 D CB 0.387 41.184 40.800 -0.005 0.000 1.038 2839 D HN 0.272 nan 8.370 nan 0.000 0.499 2840 S N 2.750 118.444 115.700 -0.009 0.000 2.400 2840 S HA -0.208 4.262 4.470 -0.001 0.000 0.234 2840 S C 1.199 175.792 174.600 -0.013 0.000 1.049 2840 S CA 1.128 59.321 58.200 -0.011 0.000 1.039 2840 S CB -0.051 63.139 63.200 -0.017 0.000 0.856 2840 S HN 0.601 nan 8.310 nan 0.000 0.465 2841 D N 1.344 121.736 120.400 -0.013 0.000 2.311 2841 D HA -0.014 4.626 4.640 -0.001 0.000 0.212 2841 D C 1.527 177.820 176.300 -0.012 0.000 0.972 2841 D CA 0.949 54.941 54.000 -0.013 0.000 0.887 2841 D CB -0.210 40.583 40.800 -0.012 0.000 0.915 2841 D HN 0.477 nan 8.370 nan 0.000 0.497 2842 A N 0.072 122.886 122.820 -0.010 0.000 2.337 2842 A HA 0.175 4.495 4.320 -0.001 0.000 0.227 2842 A C 0.916 178.492 177.584 -0.013 0.000 1.259 2842 A CA -0.240 51.791 52.037 -0.010 0.000 0.870 2842 A CB -0.150 18.846 19.000 -0.007 0.000 0.927 2842 A HN 0.111 nan 8.150 nan 0.000 0.497 2843 L N 0.639 121.853 121.223 -0.014 0.000 2.417 2843 L HA 0.342 4.682 4.340 -0.001 0.000 0.268 2843 L C 0.460 177.315 176.870 -0.026 0.000 1.158 2843 L CA 0.029 54.858 54.840 -0.019 0.000 0.819 2843 L CB 0.628 42.677 42.059 -0.018 0.000 1.112 2843 L HN 0.343 nan 8.230 nan 0.000 0.458 2844 R N 1.361 121.840 120.500 -0.036 0.000 2.725 2844 R HA 0.280 4.619 4.340 -0.001 0.000 0.277 2844 R C 0.632 176.895 176.300 -0.061 0.000 0.987 2844 R CA -0.848 55.225 56.100 -0.044 0.000 0.901 2844 R CB 2.066 32.339 30.300 -0.044 0.000 1.207 2844 R HN 0.314 nan 8.270 nan 0.000 0.463 2845 V N 1.217 121.095 119.914 -0.061 0.000 2.282 2845 V HA -0.230 3.890 4.120 -0.001 0.000 0.249 2845 V C 1.962 177.992 176.094 -0.107 0.000 1.057 2845 V CA 2.594 64.850 62.300 -0.073 0.000 1.032 2845 V CB -0.482 31.305 31.823 -0.060 0.000 0.645 2845 V HN 1.085 nan 8.190 nan 0.000 0.447 2846 G N -0.688 108.037 108.800 -0.126 0.000 2.776 2846 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.209 2846 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.209 2846 G C 0.236 174.943 174.900 -0.322 0.000 1.145 2846 G CA -0.084 44.897 45.100 -0.199 0.000 0.791 2846 G HN 0.456 nan 8.290 nan 0.000 0.530 2847 D N -0.055 120.211 120.400 -0.224 0.000 2.443 2847 D HA 0.116 4.755 4.640 -0.001 0.000 0.239 2847 D C -0.033 176.125 176.300 -0.236 0.000 1.136 2847 D CA 0.144 54.013 54.000 -0.219 0.000 0.879 2847 D CB 0.565 41.311 40.800 -0.089 0.000 1.195 2847 D HN 0.256 nan 8.370 nan 0.000 0.443 2848 Y N 0.490 120.788 120.300 -0.003 0.000 2.346 2848 Y HA 0.221 4.770 4.550 -0.001 0.000 0.330 2848 Y C 1.303 177.203 175.900 -0.000 0.000 1.178 2848 Y CA 0.253 58.352 58.100 -0.001 0.000 1.331 2848 Y CB 1.071 39.531 38.460 0.001 0.000 1.253 2848 Y HN 0.078 nan 8.280 nan 0.000 0.529 2849 T N 2.856 117.531 114.554 0.202 0.000 2.900 2849 T HA 0.519 4.869 4.350 -0.001 0.000 0.295 2849 T C -1.697 173.055 174.700 0.087 0.000 1.044 2849 T CA -0.663 61.501 62.100 0.106 0.000 0.995 2849 T CB 1.589 70.496 68.868 0.065 0.000 1.072 2849 T HN 0.395 nan 8.240 nan 0.000 0.473 2850 V N 2.511 122.461 119.914 0.059 0.000 2.623 2850 V HA 0.873 4.993 4.120 -0.001 0.000 0.304 2850 V C -0.833 175.284 176.094 0.037 0.000 1.054 2850 V CA -0.508 61.819 62.300 0.044 0.000 0.882 2850 V CB 1.249 33.091 31.823 0.032 0.000 1.002 2850 V HN 1.108 nan 8.190 nan 0.000 0.424 2851 A N 7.417 130.259 122.820 0.036 0.000 2.325 2851 A HA 0.936 5.256 4.320 -0.001 0.000 0.333 2851 A C -0.760 176.841 177.584 0.029 0.000 1.155 2851 A CA -0.661 51.396 52.037 0.034 0.000 0.814 2851 A CB 0.976 19.997 19.000 0.035 0.000 1.206 2851 A HN 0.879 nan 8.150 nan 0.000 0.482 2852 I N 1.446 122.032 120.570 0.027 0.000 2.499 2852 I HA 0.669 4.839 4.170 -0.001 0.000 0.288 2852 I C 0.463 176.593 176.117 0.021 0.000 1.048 2852 I CA -0.276 61.038 61.300 0.024 0.000 1.062 2852 I CB 2.315 40.329 38.000 0.023 0.000 1.238 2852 I HN 0.852 nan 8.210 nan 0.000 0.426 2853 G N 3.640 112.449 108.800 0.016 0.000 2.619 2853 G HA2 0.255 4.215 3.960 -0.001 0.000 0.305 2853 G HA3 0.255 4.215 3.960 -0.001 0.000 0.305 2853 G C -1.806 173.095 174.900 0.000 0.000 1.330 2853 G CA -0.708 44.396 45.100 0.007 0.000 0.789 2853 G HN 0.629 nan 8.290 nan 0.000 0.487 2854 N N 0.594 119.287 118.700 -0.013 0.000 2.918 2854 N HA 0.393 5.132 4.740 -0.001 0.000 0.270 2854 N C -1.546 173.918 175.510 -0.076 0.000 1.536 2854 N CA -1.673 51.370 53.050 -0.011 0.000 0.877 2854 N CB 1.612 40.107 38.487 0.013 0.000 1.190 2854 N HN 0.085 nan 8.380 nan 0.000 0.492 2855 P HA -0.186 nan 4.420 nan 0.000 0.216 2855 P C -0.182 176.658 177.300 -0.767 0.000 1.167 2855 P CA 1.698 64.465 63.100 -0.555 0.000 0.933 2855 P CB 0.098 31.412 31.700 -0.643 0.000 0.793 2856 F N -3.903 116.070 119.950 0.037 0.000 2.735 2856 F HA 0.493 5.020 4.527 -0.001 0.000 0.308 2856 F C 1.648 177.469 175.800 0.035 0.000 1.112 2856 F CA 0.313 58.334 58.000 0.035 0.000 1.235 2856 F CB 0.258 39.275 39.000 0.028 0.000 1.027 2856 F HN 0.065 nan 8.300 nan 0.000 0.528 2857 G N 0.895 109.775 108.800 0.133 0.000 2.383 2857 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.229 2857 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.229 2857 G C 1.076 176.039 174.900 0.106 0.000 1.089 2857 G CA 0.278 45.442 45.100 0.106 0.000 0.640 2857 G HN 0.326 nan 8.290 nan 0.000 0.510 2858 L N 1.552 122.861 121.223 0.143 0.000 2.661 2858 L HA 0.364 4.704 4.340 -0.001 0.000 0.236 2858 L C 1.660 178.584 176.870 0.089 0.000 1.176 2858 L CA 1.089 55.995 54.840 0.110 0.000 0.836 2858 L CB -1.281 40.850 42.059 0.120 0.000 0.960 2858 L HN 1.455 nan 8.230 nan 0.000 0.455 2859 G N -0.481 108.369 108.800 0.083 0.000 2.270 2859 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.268 2859 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.268 2859 G C -1.340 173.594 174.900 0.056 0.000 1.312 2859 G CA -0.857 44.281 45.100 0.063 0.000 1.050 2859 G HN -0.025 nan 8.290 nan 0.000 0.474 2860 E N 1.453 121.682 120.200 0.048 0.000 2.035 2860 E HA 0.507 4.856 4.350 -0.001 0.000 0.271 2860 E C -0.381 176.245 176.600 0.043 0.000 0.953 2860 E CA -0.165 56.258 56.400 0.040 0.000 0.777 2860 E CB 1.087 30.807 29.700 0.034 0.000 1.104 2860 E HN 0.504 nan 8.360 nan 0.000 0.408 2861 T N 1.160 115.741 114.554 0.045 0.000 2.829 2861 T HA 0.389 4.738 4.350 -0.001 0.000 0.282 2861 T C 0.157 174.880 174.700 0.038 0.000 0.990 2861 T CA -0.688 61.443 62.100 0.051 0.000 1.028 2861 T CB 1.630 70.538 68.868 0.068 0.000 0.951 2861 T HN 0.254 nan 8.240 nan 0.000 0.460 2862 V N 1.920 121.857 119.914 0.037 0.000 2.628 2862 V HA 0.890 5.009 4.120 -0.001 0.000 0.306 2862 V C -0.463 175.651 176.094 0.034 0.000 1.045 2862 V CA -0.188 62.130 62.300 0.031 0.000 0.905 2862 V CB 1.982 33.820 31.823 0.025 0.000 0.997 2862 V HN 0.925 nan 8.190 nan 0.000 0.436 2863 T N 3.730 118.304 114.554 0.033 0.000 2.909 2863 T HA 0.712 5.062 4.350 -0.001 0.000 0.299 2863 T C -0.461 174.259 174.700 0.034 0.000 1.073 2863 T CA 0.216 62.337 62.100 0.036 0.000 0.999 2863 T CB 1.635 70.528 68.868 0.041 0.000 1.098 2863 T HN 1.555 nan 8.240 nan 0.000 0.477 2864 S N 2.034 117.754 115.700 0.033 0.000 2.726 2864 S HA 1.033 5.502 4.470 -0.001 0.000 0.308 2864 S C 0.273 174.907 174.600 0.057 0.000 1.115 2864 S CA 0.226 58.448 58.200 0.038 0.000 0.965 2864 S CB 1.699 64.908 63.200 0.015 0.000 1.145 2864 S HN 1.431 nan 8.310 nan 0.000 0.532 2865 G N 0.231 109.086 108.800 0.092 0.000 2.512 2865 G HA2 0.402 4.361 3.960 -0.001 0.000 0.181 2865 G HA3 0.402 4.361 3.960 -0.001 0.000 0.181 2865 G C -1.294 173.716 174.900 0.183 0.000 1.173 2865 G CA -0.190 44.981 45.100 0.119 0.000 0.988 2865 G HN 1.698 nan 8.290 nan 0.000 0.485 2866 I N -2.450 118.176 120.570 0.094 0.000 3.279 2866 I HA 0.785 4.955 4.170 -0.001 0.000 0.315 2866 I C -0.760 175.346 176.117 -0.018 0.000 1.225 2866 I CA -1.424 59.892 61.300 0.027 0.000 0.947 2866 I CB 1.932 39.896 38.000 -0.060 0.000 1.293 2866 I HN 0.379 nan 8.210 nan 0.000 0.468 2867 V N 2.999 122.881 119.914 -0.054 0.000 2.397 2867 V HA 0.094 4.213 4.120 -0.001 0.000 0.262 2867 V C 1.078 177.132 176.094 -0.067 0.000 1.047 2867 V CA 0.472 62.738 62.300 -0.056 0.000 1.003 2867 V CB 0.360 32.147 31.823 -0.059 0.000 1.037 2867 V HN 0.892 nan 8.190 nan 0.000 0.480 2868 S N 3.498 119.155 115.700 -0.072 0.000 2.406 2868 S HA 0.312 4.782 4.470 -0.001 0.000 0.224 2868 S C 0.700 175.253 174.600 -0.078 0.000 1.030 2868 S CA 0.837 58.992 58.200 -0.076 0.000 0.958 2868 S CB 0.263 63.411 63.200 -0.086 0.000 0.811 2868 S HN 0.957 nan 8.310 nan 0.000 0.489 2869 A N 0.596 123.361 122.820 -0.092 0.000 2.513 2869 A HA 0.638 4.958 4.320 -0.001 0.000 0.296 2869 A C -1.446 176.097 177.584 -0.069 0.000 1.052 2869 A CA -0.472 51.518 52.037 -0.079 0.000 0.714 2869 A CB 0.936 19.875 19.000 -0.102 0.000 1.279 2869 A HN 0.131 nan 8.150 nan 0.000 0.397 2870 L N 3.474 124.673 121.223 -0.041 0.000 2.956 2870 L HA 0.419 4.758 4.340 -0.001 0.000 0.232 2870 L C 1.602 178.470 176.870 -0.003 0.000 1.291 2870 L CA 1.163 55.989 54.840 -0.024 0.000 1.122 2870 L CB -0.681 41.364 42.059 -0.023 0.000 1.461 2870 L HN 1.352 nan 8.230 nan 0.000 0.470 2871 G N 1.571 110.377 108.800 0.011 0.000 2.999 2871 G HA2 -0.479 3.480 3.960 -0.001 0.000 0.335 2871 G HA3 -0.479 3.480 3.960 -0.001 0.000 0.335 2871 G C 0.976 175.894 174.900 0.030 0.000 1.346 2871 G CA 1.084 46.212 45.100 0.046 0.000 1.351 2871 G HN 0.595 nan 8.290 nan 0.000 0.902 2872 R N -0.099 120.415 120.500 0.023 0.000 3.418 2872 R HA -0.124 4.215 4.340 -0.001 0.000 0.274 2872 R C 0.626 176.936 176.300 0.018 0.000 1.108 2872 R CA 1.320 57.427 56.100 0.012 0.000 0.741 2872 R CB -1.985 28.317 30.300 0.004 0.000 1.223 2872 R HN 1.027 nan 8.270 nan 0.000 0.434 2873 E N -0.328 119.912 120.200 0.066 0.000 2.481 2873 E HA -0.139 4.210 4.350 -0.001 0.000 0.263 2873 E C 0.132 176.741 176.600 0.014 0.000 0.992 2873 E CA 0.059 56.455 56.400 -0.007 0.000 0.938 2873 E CB 0.318 29.954 29.700 -0.106 0.000 0.933 2873 E HN 0.280 nan 8.360 nan 0.000 0.453 2874 N N 2.771 121.451 118.700 -0.033 0.000 3.063 2874 N HA -0.059 4.681 4.740 -0.001 0.000 0.327 2874 N C -1.098 174.414 175.510 0.003 0.000 1.225 2874 N CA -0.023 53.024 53.050 -0.005 0.000 1.184 2874 N CB -1.238 37.234 38.487 -0.025 0.000 1.438 2874 N HN 0.349 nan 8.380 nan 0.000 0.555 2875 F N 0.721 120.690 119.950 0.032 0.000 2.572 2875 F HA 0.099 4.625 4.527 -0.001 0.000 0.370 2875 F C 1.231 177.015 175.800 -0.028 0.000 1.103 2875 F CA -0.072 57.957 58.000 0.049 0.000 1.286 2875 F CB 0.497 39.588 39.000 0.152 0.000 1.105 2875 F HN 0.102 nan 8.300 nan 0.000 0.583 2876 I N 3.654 124.324 120.570 0.167 0.000 2.440 2876 I HA 0.186 4.356 4.170 -0.001 0.000 0.294 2876 I C -0.251 175.805 176.117 -0.101 0.000 0.995 2876 I CA -0.519 60.794 61.300 0.022 0.000 1.306 2876 I CB 1.434 39.444 38.000 0.016 0.000 1.407 2876 I HN 0.513 nan 8.210 nan 0.000 0.501 2877 Q N 3.443 123.122 119.800 -0.202 0.000 2.316 2877 Q HA 0.491 4.830 4.340 -0.001 0.000 0.264 2877 Q C -0.859 175.023 176.000 -0.196 0.000 0.987 2877 Q CA -0.350 55.228 55.803 -0.374 0.000 0.852 2877 Q CB 2.281 30.764 28.738 -0.424 0.000 1.287 2877 Q HN 0.658 nan 8.270 nan 0.000 0.448 2878 T N 0.517 114.974 114.554 -0.163 0.000 2.894 2878 T HA 0.179 4.528 4.350 -0.001 0.000 0.309 2878 T C -0.628 174.048 174.700 -0.039 0.000 1.208 2878 T CA -0.681 61.377 62.100 -0.071 0.000 1.016 2878 T CB 0.945 69.796 68.868 -0.028 0.000 1.192 2878 T HN 0.709 nan 8.240 nan 0.000 0.491 2879 D N 1.811 122.203 120.400 -0.013 0.000 2.328 2879 D HA 0.229 4.868 4.640 -0.001 0.000 0.226 2879 D C 0.796 177.112 176.300 0.027 0.000 1.066 2879 D CA -0.164 53.841 54.000 0.008 0.000 0.861 2879 D CB -0.102 40.706 40.800 0.012 0.000 0.912 2879 D HN 0.514 nan 8.370 nan 0.000 0.521 2880 A N 0.147 122.985 122.820 0.029 0.000 3.004 2880 A HA 0.653 4.973 4.320 -0.001 0.000 0.286 2880 A C 0.532 178.138 177.584 0.038 0.000 1.632 2880 A CA -0.115 51.945 52.037 0.038 0.000 1.339 2880 A CB -0.515 18.510 19.000 0.043 0.000 1.136 2880 A HN 0.354 nan 8.150 nan 0.000 0.577 2881 A N 1.407 124.250 122.820 0.040 0.000 3.907 2881 A HA 0.946 5.266 4.320 -0.001 0.000 0.166 2881 A C -0.775 176.830 177.584 0.036 0.000 0.948 2881 A CA -0.312 51.749 52.037 0.041 0.000 1.077 2881 A CB 0.421 19.451 19.000 0.051 0.000 1.553 2881 A HN 1.054 nan 8.150 nan 0.000 0.740 2882 I N -1.236 119.355 120.570 0.035 0.000 2.731 2882 I HA 0.250 4.419 4.170 -0.001 0.000 0.286 2882 I C -0.964 175.192 176.117 0.065 0.000 1.421 2882 I CA -0.855 60.474 61.300 0.047 0.000 1.071 2882 I CB 0.968 38.964 38.000 -0.007 0.000 1.375 2882 I HN 0.415 nan 8.210 nan 0.000 0.425 2883 N N 5.800 124.565 118.700 0.107 0.000 2.429 2883 N HA 0.190 4.929 4.740 -0.001 0.000 0.271 2883 N C 0.666 176.272 175.510 0.161 0.000 1.272 2883 N CA 0.627 53.743 53.050 0.110 0.000 0.921 2883 N CB 0.205 38.752 38.487 0.099 0.000 1.128 2883 N HN 0.671 nan 8.380 nan 0.000 0.481 2884 R N 0.099 120.664 120.500 0.109 0.000 3.840 2884 R HA -0.136 4.204 4.340 -0.001 0.000 0.464 2884 R C 0.591 176.956 176.300 0.109 0.000 0.986 2884 R CA 1.112 57.286 56.100 0.125 0.000 1.305 2884 R CB -2.081 28.324 30.300 0.174 0.000 1.950 2884 R HN 0.604 nan 8.270 nan 0.000 0.526 2885 G N 0.390 109.177 108.800 -0.021 0.000 2.502 2885 G HA2 0.434 4.393 3.960 -0.001 0.000 0.305 2885 G HA3 0.434 4.393 3.960 -0.001 0.000 0.305 2885 G C -0.203 174.579 174.900 -0.197 0.000 1.190 2885 G CA -0.592 44.317 45.100 -0.318 0.000 0.933 2885 G HN 0.034 nan 8.290 nan 0.000 0.503 2886 N N 0.306 118.872 118.700 -0.224 0.000 2.497 2886 N HA 0.336 5.075 4.740 -0.001 0.000 0.271 2886 N C 0.756 176.234 175.510 -0.052 0.000 1.142 2886 N CA 0.194 53.186 53.050 -0.096 0.000 0.965 2886 N CB 1.197 39.662 38.487 -0.037 0.000 1.077 2886 N HN 0.732 nan 8.380 nan 0.000 0.462 2887 S N 1.069 116.763 115.700 -0.009 0.000 2.973 2887 S HA 0.166 4.635 4.470 -0.001 0.000 0.357 2887 S C 1.412 176.072 174.600 0.100 0.000 1.159 2887 S CA 0.127 58.355 58.200 0.046 0.000 1.423 2887 S CB -0.668 62.559 63.200 0.045 0.000 1.115 2887 S HN 0.598 nan 8.310 nan 0.000 0.563 2888 G N 2.406 111.233 108.800 0.044 0.000 2.355 2888 G HA2 0.429 4.388 3.960 -0.001 0.000 0.175 2888 G HA3 0.429 4.388 3.960 -0.001 0.000 0.175 2888 G C 1.050 175.983 174.900 0.055 0.000 1.624 2888 G CA 0.824 45.945 45.100 0.035 0.000 1.021 2888 G HN 1.179 nan 8.290 nan 0.000 0.465 2889 G N -0.913 107.911 108.800 0.041 0.000 2.509 2889 G HA2 0.509 4.468 3.960 -0.001 0.000 0.168 2889 G HA3 0.509 4.468 3.960 -0.001 0.000 0.168 2889 G C 0.391 175.316 174.900 0.042 0.000 1.415 2889 G CA 0.833 45.958 45.100 0.041 0.000 0.686 2889 G HN 1.119 nan 8.290 nan 0.000 0.677 2890 A N 0.483 123.322 122.820 0.032 0.000 2.363 2890 A HA 0.682 5.002 4.320 -0.001 0.000 0.270 2890 A C -0.624 176.981 177.584 0.034 0.000 1.121 2890 A CA -0.112 51.944 52.037 0.031 0.000 0.800 2890 A CB 0.504 19.518 19.000 0.024 0.000 1.052 2890 A HN 0.452 nan 8.150 nan 0.000 0.493 2891 L N 4.041 125.285 121.223 0.035 0.000 2.349 2891 L HA 0.593 4.933 4.340 -0.001 0.000 0.278 2891 L C -1.237 175.650 176.870 0.030 0.000 0.996 2891 L CA -0.446 54.416 54.840 0.036 0.000 0.825 2891 L CB 1.526 43.609 42.059 0.040 0.000 1.243 2891 L HN 0.516 nan 8.230 nan 0.000 0.412 2892 V N 4.247 124.180 119.914 0.031 0.000 2.823 2892 V HA 0.393 4.513 4.120 -0.001 0.000 0.312 2892 V C -0.256 175.859 176.094 0.036 0.000 1.072 2892 V CA -0.798 61.519 62.300 0.029 0.000 0.937 2892 V CB 2.545 34.384 31.823 0.025 0.000 1.013 2892 V HN 0.945 nan 8.190 nan 0.000 0.430 2893 N N 3.375 122.095 118.700 0.035 0.000 2.418 2893 N HA 0.218 4.957 4.740 -0.001 0.000 0.283 2893 N C 0.462 176.001 175.510 0.048 0.000 1.267 2893 N CA -0.556 52.523 53.050 0.047 0.000 0.975 2893 N CB 0.293 38.804 38.487 0.040 0.000 1.167 2893 N HN 0.319 nan 8.380 nan 0.000 0.581 2894 L N -0.719 120.542 121.223 0.063 0.000 2.549 2894 L HA 0.067 4.407 4.340 -0.001 0.000 0.229 2894 L C 0.868 177.756 176.870 0.030 0.000 1.158 2894 L CA 1.098 55.967 54.840 0.048 0.000 0.842 2894 L CB -1.382 40.718 42.059 0.069 0.000 0.952 2894 L HN 0.559 nan 8.230 nan 0.000 0.452 2895 N N -0.588 118.130 118.700 0.029 0.000 2.236 2895 N HA 0.148 4.887 4.740 -0.001 0.000 0.196 2895 N C 1.324 176.844 175.510 0.016 0.000 1.114 2895 N CA 0.792 53.854 53.050 0.020 0.000 0.859 2895 N CB 0.593 39.092 38.487 0.019 0.000 0.982 2895 N HN 0.253 nan 8.380 nan 0.000 0.493 2896 G N 0.711 109.521 108.800 0.018 0.000 2.143 2896 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.249 2896 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.249 2896 G C -0.245 174.664 174.900 0.015 0.000 0.981 2896 G CA -0.009 45.100 45.100 0.015 0.000 0.665 2896 G HN 0.421 nan 8.290 nan 0.000 0.528 2897 E N -0.542 119.668 120.200 0.016 0.000 2.231 2897 E HA 0.552 4.902 4.350 -0.001 0.000 0.277 2897 E C 0.050 176.659 176.600 0.014 0.000 0.999 2897 E CA -1.081 55.327 56.400 0.013 0.000 0.827 2897 E CB 1.901 31.608 29.700 0.012 0.000 1.101 2897 E HN 0.183 nan 8.360 nan 0.000 0.393 2898 L N 4.303 125.533 121.223 0.012 0.000 2.418 2898 L HA 0.070 4.410 4.340 -0.001 0.000 0.274 2898 L C 0.478 177.355 176.870 0.011 0.000 1.135 2898 L CA 0.661 55.509 54.840 0.013 0.000 0.870 2898 L CB 0.193 42.258 42.059 0.010 0.000 1.154 2898 L HN 0.672 nan 8.230 nan 0.000 0.462 2899 I N 1.451 122.030 120.570 0.014 0.000 4.187 2899 I HA 0.614 4.783 4.170 -0.001 0.000 0.326 2899 I C 0.608 176.732 176.117 0.012 0.000 1.302 2899 I CA 0.228 61.534 61.300 0.011 0.000 1.196 2899 I CB 0.362 38.370 38.000 0.013 0.000 1.095 2899 I HN 0.624 nan 8.210 nan 0.000 0.411 2900 G N 1.457 110.268 108.800 0.019 0.000 2.519 2900 G HA2 0.533 4.492 3.960 -0.001 0.000 0.292 2900 G HA3 0.533 4.492 3.960 -0.001 0.000 0.292 2900 G C -2.143 172.779 174.900 0.037 0.000 1.507 2900 G CA -0.467 44.649 45.100 0.026 0.000 0.806 2900 G HN -0.024 nan 8.290 nan 0.000 0.523 2901 I N 1.040 121.638 120.570 0.046 0.000 2.362 2901 I HA 0.303 4.473 4.170 -0.001 0.000 0.289 2901 I C 0.140 176.314 176.117 0.096 0.000 0.994 2901 I CA -1.036 60.298 61.300 0.057 0.000 1.158 2901 I CB 1.392 39.419 38.000 0.044 0.000 1.315 2901 I HN 0.448 nan 8.210 nan 0.000 0.451 2902 N N 3.342 122.102 118.700 0.099 0.000 2.492 2902 N HA 0.315 5.054 4.740 -0.001 0.000 0.262 2902 N C -0.010 175.600 175.510 0.166 0.000 1.202 2902 N CA 0.227 53.357 53.050 0.134 0.000 0.926 2902 N CB 0.655 39.204 38.487 0.103 0.000 1.078 2902 N HN 0.628 nan 8.380 nan 0.000 0.454 2903 T N -0.154 114.526 114.554 0.210 0.000 2.858 2903 T HA 0.763 5.113 4.350 -0.001 0.000 0.285 2903 T C -1.548 173.222 174.700 0.116 0.000 1.052 2903 T CA -0.799 61.432 62.100 0.217 0.000 1.009 2903 T CB 0.969 70.009 68.868 0.286 0.000 1.241 2903 T HN 0.426 nan 8.240 nan 0.000 0.542 2904 A N 2.149 124.982 122.820 0.023 0.000 2.285 2904 A HA 0.593 4.912 4.320 -0.001 0.000 0.310 2904 A C 0.654 178.123 177.584 -0.191 0.000 1.266 2904 A CA -0.786 51.150 52.037 -0.169 0.000 0.832 2904 A CB -0.243 18.483 19.000 -0.456 0.000 1.163 2904 A HN 0.891 nan 8.150 nan 0.000 0.499 2905 I N 0.323 120.719 120.570 -0.290 0.000 3.862 2905 I HA 0.381 4.551 4.170 -0.001 0.000 0.328 2905 I C -0.681 175.265 176.117 -0.284 0.000 1.474 2905 I CA 0.319 61.405 61.300 -0.356 0.000 1.215 2905 I CB -0.283 37.308 38.000 -0.683 0.000 1.183 2905 I HN 0.418 nan 8.210 nan 0.000 0.413 2906 L N 2.376 123.466 121.223 -0.222 0.000 2.861 2906 L HA 0.526 4.866 4.340 -0.001 0.000 0.290 2906 L C 0.741 177.522 176.870 -0.148 0.000 1.346 2906 L CA -0.473 54.262 54.840 -0.175 0.000 0.779 2906 L CB 0.883 42.844 42.059 -0.164 0.000 1.143 2906 L HN 0.407 nan 8.230 nan 0.000 0.548 2907 A N 0.903 123.645 122.820 -0.128 0.000 2.561 2907 A HA 0.388 4.707 4.320 -0.001 0.000 0.234 2907 A C -1.675 175.864 177.584 -0.075 0.000 1.055 2907 A CA -0.005 51.973 52.037 -0.097 0.000 0.756 2907 A CB -0.443 18.520 19.000 -0.061 0.000 0.986 2907 A HN 0.575 nan 8.150 nan 0.000 0.505 2908 P HA -0.094 nan 4.420 nan 0.000 0.014 2908 P C -0.267 176.991 177.300 -0.070 0.000 0.569 2908 P CA 1.372 64.436 63.100 -0.060 0.000 1.035 2908 P CB -0.430 31.242 31.700 -0.047 0.000 1.909 2909 D N -0.947 119.394 120.400 -0.098 0.000 3.084 2909 D HA 0.282 4.921 4.640 -0.001 0.000 0.294 2909 D C 0.856 177.074 176.300 -0.137 0.000 1.165 2909 D CA 1.653 55.595 54.000 -0.097 0.000 1.008 2909 D CB 0.763 41.511 40.800 -0.087 0.000 1.266 2909 D HN 0.297 nan 8.370 nan 0.000 0.449 2910 G N -0.012 108.641 108.800 -0.246 0.000 2.767 2910 G HA2 0.377 4.336 3.960 -0.001 0.000 0.686 2910 G HA3 0.377 4.336 3.960 -0.001 0.000 0.686 2910 G C 0.240 175.041 174.900 -0.164 0.000 1.213 2910 G CA -0.314 44.593 45.100 -0.321 0.000 0.803 2910 G HN 0.948 nan 8.290 nan 0.000 0.603 2911 G N 1.397 110.113 108.800 -0.140 0.000 2.592 2911 G HA2 0.457 4.416 3.960 -0.001 0.000 0.685 2911 G HA3 0.457 4.416 3.960 -0.001 0.000 0.685 2911 G C -0.415 174.430 174.900 -0.091 0.000 1.278 2911 G CA 0.260 45.308 45.100 -0.087 0.000 0.822 2911 G HN 2.111 nan 8.290 nan 0.000 0.652 2912 N N 0.612 119.280 118.700 -0.054 0.000 2.485 2912 N HA 0.482 5.222 4.740 -0.001 0.000 0.280 2912 N C 1.324 176.809 175.510 -0.042 0.000 1.205 2912 N CA -0.581 52.442 53.050 -0.046 0.000 0.959 2912 N CB 2.388 40.882 38.487 0.012 0.000 1.206 2912 N HN 0.738 nan 8.380 nan 0.000 0.545 2913 I N -1.841 118.700 120.570 -0.048 0.000 3.226 2913 I HA 0.116 4.285 4.170 -0.001 0.000 0.277 2913 I C 0.795 176.926 176.117 0.024 0.000 1.243 2913 I CA 0.989 62.268 61.300 -0.036 0.000 1.459 2913 I CB -0.208 37.741 38.000 -0.085 0.000 1.093 2913 I HN 0.890 nan 8.210 nan 0.000 0.453 2914 G N 1.318 110.151 108.800 0.056 0.000 3.110 2914 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.205 2914 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.205 2914 G C -0.029 174.917 174.900 0.077 0.000 1.019 2914 G CA 0.053 45.189 45.100 0.059 0.000 0.826 2914 G HN 0.305 nan 8.290 nan 0.000 0.481 2915 I N 0.646 121.293 120.570 0.128 0.000 3.264 2915 I HA 0.722 4.891 4.170 -0.001 0.000 0.315 2915 I C -0.007 176.222 176.117 0.187 0.000 1.154 2915 I CA -0.879 60.486 61.300 0.109 0.000 0.962 2915 I CB 2.131 40.163 38.000 0.054 0.000 1.265 2915 I HN 0.162 nan 8.210 nan 0.000 0.463 2916 G N 2.270 111.122 108.800 0.087 0.000 2.356 2916 G HA2 0.591 4.551 3.960 -0.001 0.000 0.322 2916 G HA3 0.591 4.551 3.960 -0.001 0.000 0.322 2916 G C -1.637 173.282 174.900 0.032 0.000 1.125 2916 G CA -0.202 44.983 45.100 0.143 0.000 0.885 2916 G HN 0.256 nan 8.290 nan 0.000 0.467 2917 F N 1.278 121.226 119.950 -0.002 0.000 2.402 2917 F HA 0.657 5.183 4.527 -0.001 0.000 0.355 2917 F C 0.561 176.460 175.800 0.164 0.000 1.123 2917 F CA -0.904 57.114 58.000 0.030 0.000 1.021 2917 F CB 2.128 41.029 39.000 -0.165 0.000 1.160 2917 F HN 0.623 nan 8.300 nan 0.000 0.451 2918 A N 4.160 127.169 122.820 0.315 0.000 2.374 2918 A HA 0.808 5.127 4.320 -0.001 0.000 0.317 2918 A C -0.685 177.050 177.584 0.251 0.000 1.094 2918 A CA -0.731 51.466 52.037 0.265 0.000 0.765 2918 A CB 0.992 20.071 19.000 0.132 0.000 1.268 2918 A HN 0.543 nan 8.150 nan 0.000 0.438 2919 I N 2.761 123.414 120.570 0.138 0.000 2.529 2919 I HA 0.239 4.409 4.170 -0.001 0.000 0.284 2919 I C -2.008 174.096 176.117 -0.022 0.000 1.082 2919 I CA -1.839 59.436 61.300 -0.041 0.000 1.406 2919 I CB 0.674 38.636 38.000 -0.063 0.000 1.405 2919 I HN 0.406 nan 8.210 nan 0.000 0.548 2920 P HA 0.067 nan 4.420 nan 0.000 0.271 2920 P C 0.818 178.101 177.300 -0.028 0.000 1.218 2920 P CA -0.182 62.900 63.100 -0.031 0.000 0.780 2920 P CB 0.692 32.368 31.700 -0.040 0.000 0.901 2921 S N 2.439 118.130 115.700 -0.014 0.000 2.380 2921 S HA -0.287 4.183 4.470 -0.001 0.000 0.229 2921 S C 1.487 176.075 174.600 -0.020 0.000 1.043 2921 S CA 1.816 60.009 58.200 -0.012 0.000 1.038 2921 S CB -1.537 61.660 63.200 -0.005 0.000 0.872 2921 S HN 0.512 nan 8.310 nan 0.000 0.456 2922 N N 0.645 119.331 118.700 -0.023 0.000 2.166 2922 N HA -0.072 4.667 4.740 -0.001 0.000 0.186 2922 N C 1.795 177.285 175.510 -0.033 0.000 1.019 2922 N CA 1.516 54.551 53.050 -0.025 0.000 0.856 2922 N CB -0.246 38.227 38.487 -0.023 0.000 0.993 2922 N HN 0.400 nan 8.380 nan 0.000 0.426 2923 M N 0.908 120.481 119.600 -0.045 0.000 2.200 2923 M HA -0.028 4.452 4.480 -0.001 0.000 0.265 2923 M C 1.668 177.938 176.300 -0.050 0.000 1.066 2923 M CA 1.185 56.452 55.300 -0.057 0.000 1.127 2923 M CB -0.086 32.460 32.600 -0.089 0.000 1.379 2923 M HN -0.125 nan 8.290 nan 0.000 0.420 2924 V N 0.550 120.439 119.914 -0.043 0.000 2.343 2924 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 2924 V C 2.439 178.512 176.094 -0.036 0.000 1.051 2924 V CA 2.234 64.512 62.300 -0.035 0.000 1.036 2924 V CB -1.213 30.597 31.823 -0.023 0.000 0.654 2924 V HN 0.578 nan 8.190 nan 0.000 0.451 2925 K N 0.777 121.158 120.400 -0.032 0.000 2.032 2925 K HA -0.292 4.028 4.320 -0.001 0.000 0.209 2925 K C 2.077 178.654 176.600 -0.037 0.000 1.048 2925 K CA 2.332 58.600 56.287 -0.032 0.000 0.927 2925 K CB -0.314 32.172 32.500 -0.024 0.000 0.712 2925 K HN 0.515 nan 8.250 nan 0.000 0.441 2926 N N 0.300 118.981 118.700 -0.032 0.000 2.084 2926 N HA -0.148 4.591 4.740 -0.001 0.000 0.190 2926 N C 1.883 177.379 175.510 -0.023 0.000 1.030 2926 N CA 1.392 54.427 53.050 -0.025 0.000 0.849 2926 N CB -0.086 38.388 38.487 -0.021 0.000 1.012 2926 N HN 0.172 nan 8.380 nan 0.000 0.423 2927 L N -0.807 120.398 121.223 -0.030 0.000 2.093 2927 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 2927 L C 2.429 179.276 176.870 -0.039 0.000 1.085 2927 L CA 1.095 55.919 54.840 -0.026 0.000 0.755 2927 L CB -0.692 41.347 42.059 -0.033 0.000 0.904 2927 L HN 0.277 nan 8.230 nan 0.000 0.435 2928 T N -1.172 113.346 114.554 -0.059 0.000 2.777 2928 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 2928 T C 2.114 176.735 174.700 -0.131 0.000 1.040 2928 T CA 1.692 63.734 62.100 -0.096 0.000 1.141 2928 T CB 0.019 68.831 68.868 -0.093 0.000 0.868 2928 T HN 0.302 nan 8.240 nan 0.000 0.444 2929 S N 1.220 116.856 115.700 -0.107 0.000 2.382 2929 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 2929 S C 2.111 176.624 174.600 -0.145 0.000 1.027 2929 S CA 1.031 59.153 58.200 -0.131 0.000 0.991 2929 S CB -0.318 62.825 63.200 -0.095 0.000 0.823 2929 S HN 0.572 nan 8.310 nan 0.000 0.469 2930 Q N 0.671 120.435 119.800 -0.059 0.000 2.061 2930 Q HA -0.086 4.253 4.340 -0.001 0.000 0.204 2930 Q C 2.301 178.303 176.000 0.004 0.000 0.984 2930 Q CA 1.442 57.268 55.803 0.038 0.000 0.846 2930 Q CB -0.358 28.471 28.738 0.152 0.000 0.902 2930 Q HN 0.593 nan 8.270 nan 0.000 0.421 2931 M N -0.269 119.308 119.600 -0.038 0.000 2.108 2931 M HA -0.181 4.298 4.480 -0.001 0.000 0.261 2931 M C 2.249 178.488 176.300 -0.103 0.000 1.066 2931 M CA 1.176 56.445 55.300 -0.051 0.000 1.107 2931 M CB -0.602 31.949 32.600 -0.081 0.000 1.356 2931 M HN 0.060 nan 8.290 nan 0.000 0.406 2932 V N 1.139 120.939 119.914 -0.189 0.000 2.216 2932 V HA -0.249 3.870 4.120 -0.001 0.000 0.243 2932 V C 1.756 177.746 176.094 -0.173 0.000 1.044 2932 V CA 2.118 64.291 62.300 -0.213 0.000 0.995 2932 V CB -0.722 30.936 31.823 -0.275 0.000 0.633 2932 V HN 0.508 nan 8.190 nan 0.000 0.446 2933 E N -1.868 118.158 120.200 -0.289 0.000 2.485 2933 E HA -0.030 4.320 4.350 -0.001 0.000 0.194 2933 E C 0.704 176.945 176.600 -0.598 0.000 1.098 2933 E CA 0.626 56.757 56.400 -0.448 0.000 0.878 2933 E CB -0.017 29.309 29.700 -0.622 0.000 0.939 2933 E HN 0.833 nan 8.360 nan 0.000 0.503 2934 Y N -2.520 117.766 120.300 -0.024 0.000 2.463 2934 Y HA 0.229 4.778 4.550 -0.001 0.000 0.288 2934 Y C 1.651 177.540 175.900 -0.018 0.000 1.041 2934 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 2934 Y CB 1.459 39.906 38.460 -0.022 0.000 1.380 2934 Y HN 0.130 nan 8.280 nan 0.000 0.581 2935 G N 1.002 109.866 108.800 0.106 0.000 2.284 2935 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.216 2935 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.216 2935 G C 0.030 174.959 174.900 0.049 0.000 1.009 2935 G CA 0.242 45.377 45.100 0.059 0.000 0.625 2935 G HN 0.421 nan 8.290 nan 0.000 0.501 2936 Q N -0.860 118.990 119.800 0.084 0.000 2.738 2936 Q HA 0.622 4.961 4.340 -0.001 0.000 0.301 2936 Q C -0.542 175.506 176.000 0.081 0.000 0.901 2936 Q CA -0.558 55.277 55.803 0.053 0.000 0.756 2936 Q CB 1.779 30.533 28.738 0.026 0.000 1.463 2936 Q HN 1.180 nan 8.270 nan 0.000 0.432 2937 V N -0.546 119.393 119.914 0.041 0.000 2.498 2937 V HA 0.464 4.584 4.120 -0.001 0.000 0.279 2937 V C -0.179 175.914 176.094 -0.003 0.000 1.048 2937 V CA -0.794 61.529 62.300 0.038 0.000 0.967 2937 V CB 0.826 32.658 31.823 0.015 0.000 0.988 2937 V HN 0.674 nan 8.190 nan 0.000 0.473 2938 K N 4.822 125.205 120.400 -0.027 0.000 2.081 2938 K HA 0.189 4.509 4.320 -0.001 0.000 0.230 2938 K C 0.375 176.941 176.600 -0.057 0.000 1.199 2938 K CA 0.337 56.572 56.287 -0.087 0.000 1.130 2938 K CB -0.446 31.959 32.500 -0.158 0.000 1.386 2938 K HN 0.915 nan 8.250 nan 0.000 0.280 2939 R N 0.299 120.773 120.500 -0.044 0.000 2.409 2939 R HA 0.551 4.891 4.340 -0.001 0.000 0.313 2939 R C -0.044 176.233 176.300 -0.039 0.000 0.953 2939 R CA -0.897 55.180 56.100 -0.038 0.000 0.849 2939 R CB 1.246 31.528 30.300 -0.029 0.000 1.171 2939 R HN 0.301 nan 8.270 nan 0.000 0.458 2940 G N 2.603 111.378 108.800 -0.041 0.000 2.415 2940 G HA2 0.260 4.219 3.960 -0.001 0.000 0.269 2940 G HA3 0.260 4.219 3.960 -0.001 0.000 0.269 2940 G C -0.572 174.308 174.900 -0.034 0.000 1.209 2940 G CA -0.664 44.413 45.100 -0.038 0.000 0.835 2940 G HN 0.791 nan 8.290 nan 0.000 0.534 2941 E N 1.222 121.405 120.200 -0.028 0.000 2.207 2941 E HA 0.373 4.722 4.350 -0.001 0.000 0.270 2941 E C -0.076 176.512 176.600 -0.021 0.000 0.927 2941 E CA -0.998 55.388 56.400 -0.024 0.000 0.799 2941 E CB 1.846 31.538 29.700 -0.014 0.000 1.172 2941 E HN 0.259 nan 8.360 nan 0.000 0.404 2942 L N 2.608 123.819 121.223 -0.021 0.000 2.591 2942 L HA 0.257 4.596 4.340 -0.001 0.000 0.228 2942 L C 1.367 178.237 176.870 0.000 0.000 1.133 2942 L CA 1.507 56.339 54.840 -0.014 0.000 0.880 2942 L CB -0.525 41.523 42.059 -0.019 0.000 1.033 2942 L HN 1.065 nan 8.230 nan 0.000 0.450 2943 G N 0.403 109.206 108.800 0.005 0.000 2.212 2943 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.267 2943 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.267 2943 G C 0.460 175.375 174.900 0.024 0.000 1.002 2943 G CA 0.927 46.034 45.100 0.012 0.000 0.729 2943 G HN 0.604 nan 8.290 nan 0.000 0.517 2944 I N -2.453 118.146 120.570 0.048 0.000 2.934 2944 I HA 0.887 5.057 4.170 -0.001 0.000 0.315 2944 I C 0.293 176.477 176.117 0.111 0.000 0.997 2944 I CA -1.428 59.909 61.300 0.062 0.000 1.184 2944 I CB 1.120 39.177 38.000 0.094 0.000 1.400 2944 I HN 0.025 nan 8.210 nan 0.000 0.549 2945 M N 2.625 122.262 119.600 0.062 0.000 2.433 2945 M HA 0.735 5.215 4.480 -0.001 0.000 0.290 2945 M C -0.280 175.925 176.300 -0.159 0.000 1.173 2945 M CA -0.396 54.924 55.300 0.033 0.000 0.905 2945 M CB 2.083 34.672 32.600 -0.018 0.000 1.692 2945 M HN 1.105 nan 8.290 nan 0.000 0.462 2946 G N 1.026 109.538 108.800 -0.479 0.000 2.335 2946 G HA2 0.649 4.608 3.960 -0.001 0.000 0.291 2946 G HA3 0.649 4.608 3.960 -0.001 0.000 0.291 2946 G C -1.081 173.093 174.900 -1.210 0.000 1.261 2946 G CA 0.211 44.910 45.100 -0.668 0.000 0.871 2946 G HN 0.827 nan 8.290 nan 0.000 0.491 2947 T N -3.082 111.011 114.554 -0.768 0.000 2.611 2947 T HA 0.681 5.031 4.350 -0.001 0.000 0.269 2947 T C -0.809 173.843 174.700 -0.081 0.000 1.032 2947 T CA -0.541 61.223 62.100 -0.560 0.000 1.178 2947 T CB 1.361 70.066 68.868 -0.271 0.000 1.651 2947 T HN 0.533 nan 8.240 nan 0.000 0.456 2948 E N 0.346 120.562 120.200 0.026 0.000 2.405 2948 E HA 0.407 4.757 4.350 -0.001 0.000 0.253 2948 E C 0.602 177.256 176.600 0.090 0.000 1.257 2948 E CA -0.516 55.938 56.400 0.091 0.000 0.960 2948 E CB 0.348 30.085 29.700 0.063 0.000 1.077 2948 E HN 0.552 nan 8.360 nan 0.000 0.512 2949 L N 1.577 122.818 121.223 0.030 0.000 2.653 2949 L HA 0.104 4.444 4.340 -0.001 0.000 0.232 2949 L C 1.140 177.966 176.870 -0.073 0.000 1.169 2949 L CA 0.039 54.839 54.840 -0.067 0.000 0.951 2949 L CB -0.176 41.838 42.059 -0.075 0.000 1.181 2949 L HN 0.184 nan 8.230 nan 0.000 0.460 2950 N N -0.820 117.864 118.700 -0.027 0.000 2.407 2950 N HA 0.013 4.752 4.740 -0.001 0.000 0.182 2950 N C 0.855 176.353 175.510 -0.019 0.000 1.079 2950 N CA 0.268 53.302 53.050 -0.027 0.000 0.882 2950 N CB 0.310 38.790 38.487 -0.011 0.000 1.106 2950 N HN 0.256 nan 8.380 nan 0.000 0.461 2951 S N 1.432 117.135 115.700 0.007 0.000 2.542 2951 S HA -0.073 4.396 4.470 -0.001 0.000 0.287 2951 S C 1.157 175.767 174.600 0.016 0.000 1.315 2951 S CA 0.052 58.267 58.200 0.025 0.000 1.037 2951 S CB 0.648 63.894 63.200 0.078 0.000 0.822 2951 S HN 0.222 nan 8.310 nan 0.000 0.513 2952 E N 1.006 121.215 120.200 0.015 0.000 2.209 2952 E HA -0.137 4.212 4.350 -0.001 0.000 0.196 2952 E C 1.625 178.242 176.600 0.028 0.000 0.993 2952 E CA 1.249 57.654 56.400 0.008 0.000 0.819 2952 E CB -0.428 29.273 29.700 0.002 0.000 0.745 2952 E HN 0.638 nan 8.360 nan 0.000 0.477 2953 L N 0.147 121.420 121.223 0.084 0.000 2.313 2953 L HA 0.002 4.342 4.340 -0.001 0.000 0.214 2953 L C 2.373 179.346 176.870 0.173 0.000 1.119 2953 L CA 0.422 55.362 54.840 0.166 0.000 0.809 2953 L CB -0.219 41.982 42.059 0.237 0.000 0.933 2953 L HN 0.132 nan 8.230 nan 0.000 0.449 2954 A N -0.075 122.740 122.820 -0.007 0.000 2.072 2954 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 2954 A C 2.260 179.694 177.584 -0.250 0.000 1.156 2954 A CA 0.915 52.682 52.037 -0.449 0.000 0.701 2954 A CB -0.008 18.703 19.000 -0.482 0.000 0.816 2954 A HN 0.278 nan 8.150 nan 0.000 0.458 2955 K N -0.560 119.772 120.400 -0.113 0.000 2.121 2955 K HA 0.216 4.535 4.320 -0.001 0.000 0.203 2955 K C 2.112 178.683 176.600 -0.049 0.000 1.041 2955 K CA 0.752 56.992 56.287 -0.079 0.000 0.969 2955 K CB -0.187 32.282 32.500 -0.052 0.000 0.799 2955 K HN 0.298 nan 8.250 nan 0.000 0.456 2956 A N 0.950 123.757 122.820 -0.021 0.000 2.234 2956 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 2956 A C 1.692 179.278 177.584 0.003 0.000 1.167 2956 A CA 1.341 53.375 52.037 -0.004 0.000 0.698 2956 A CB -0.422 18.585 19.000 0.011 0.000 0.779 2956 A HN 0.240 nan 8.150 nan 0.000 0.475 2957 M N -1.053 118.544 119.600 -0.006 0.000 2.300 2957 M HA 0.135 4.615 4.480 -0.001 0.000 0.313 2957 M C -0.757 175.519 176.300 -0.040 0.000 0.988 2957 M CA -0.192 55.112 55.300 0.006 0.000 1.012 2957 M CB 0.532 33.180 32.600 0.080 0.000 1.586 2957 M HN 0.193 nan 8.290 nan 0.000 0.562 2958 K N 2.120 122.477 120.400 -0.072 0.000 5.307 2958 K HA -0.120 4.199 4.320 -0.001 0.000 0.461 2958 K C -0.505 176.029 176.600 -0.111 0.000 1.070 2958 K CA 0.231 56.466 56.287 -0.086 0.000 1.173 2958 K CB -1.601 30.869 32.500 -0.051 0.000 1.918 2958 K HN 0.330 nan 8.250 nan 0.000 0.321 2959 V N -0.349 119.458 119.914 -0.178 0.000 2.407 2959 V HA 0.301 4.421 4.120 -0.001 0.000 0.278 2959 V C 0.468 176.490 176.094 -0.121 0.000 1.037 2959 V CA -0.945 61.240 62.300 -0.191 0.000 0.900 2959 V CB 1.560 33.159 31.823 -0.373 0.000 0.983 2959 V HN 0.411 nan 8.190 nan 0.000 0.459 2960 D N 3.695 124.049 120.400 -0.075 0.000 2.341 2960 D HA 0.470 5.109 4.640 -0.001 0.000 0.245 2960 D C 0.827 177.100 176.300 -0.045 0.000 1.106 2960 D CA 1.054 55.025 54.000 -0.049 0.000 0.905 2960 D CB 1.515 42.298 40.800 -0.029 0.000 1.202 2960 D HN 1.504 nan 8.370 nan 0.000 0.426 2961 A N 2.539 125.338 122.820 -0.035 0.000 1.786 2961 A HA -0.252 4.068 4.320 -0.001 0.000 0.237 2961 A C -0.102 177.462 177.584 -0.033 0.000 1.309 2961 A CA 0.534 52.556 52.037 -0.026 0.000 0.713 2961 A CB -1.534 17.458 19.000 -0.014 0.000 1.194 2961 A HN 0.537 nan 8.150 nan 0.000 0.252 2962 Q N 0.699 120.475 119.800 -0.040 0.000 2.398 2962 Q HA 0.570 4.909 4.340 -0.001 0.000 0.251 2962 Q C 0.199 176.187 176.000 -0.020 0.000 0.999 2962 Q CA -0.245 55.531 55.803 -0.045 0.000 0.874 2962 Q CB 0.835 29.532 28.738 -0.069 0.000 1.215 2962 Q HN 0.818 nan 8.270 nan 0.000 0.470 2963 R N 0.403 120.901 120.500 -0.004 0.000 2.812 2963 R HA 0.497 4.836 4.340 -0.001 0.000 0.179 2963 R C -0.569 175.748 176.300 0.028 0.000 1.407 2963 R CA -0.351 55.756 56.100 0.011 0.000 1.031 2963 R CB -0.244 30.060 30.300 0.007 0.000 1.491 2963 R HN 0.642 nan 8.270 nan 0.000 0.619 2964 G N -0.109 108.719 108.800 0.047 0.000 2.348 2964 G HA2 0.603 4.562 3.960 -0.001 0.000 0.296 2964 G HA3 0.603 4.562 3.960 -0.001 0.000 0.296 2964 G C -1.599 173.375 174.900 0.124 0.000 1.258 2964 G CA -0.356 44.789 45.100 0.074 0.000 0.868 2964 G HN 0.544 nan 8.290 nan 0.000 0.488 2965 A N -0.175 122.744 122.820 0.165 0.000 2.260 2965 A HA 0.681 5.001 4.320 -0.001 0.000 0.308 2965 A C -0.696 177.064 177.584 0.293 0.000 1.254 2965 A CA -0.496 51.701 52.037 0.266 0.000 0.874 2965 A CB 0.239 19.429 19.000 0.317 0.000 1.153 2965 A HN 1.118 nan 8.150 nan 0.000 0.527 2966 F N 3.830 123.818 119.950 0.063 0.000 2.445 2966 F HA 0.402 4.928 4.527 -0.001 0.000 0.359 2966 F C -0.094 175.697 175.800 -0.016 0.000 1.101 2966 F CA -0.694 57.308 58.000 0.004 0.000 1.177 2966 F CB 0.895 39.871 39.000 -0.040 0.000 1.110 2966 F HN 0.305 nan 8.300 nan 0.000 0.522 2967 V N 6.842 126.658 119.914 -0.163 0.000 2.356 2967 V HA -0.020 4.100 4.120 -0.001 0.000 0.258 2967 V C 0.778 176.449 176.094 -0.705 0.000 1.065 2967 V CA 0.220 62.336 62.300 -0.307 0.000 0.935 2967 V CB 0.642 32.412 31.823 -0.088 0.000 1.061 2967 V HN 0.951 nan 8.190 nan 0.000 0.484 2968 S N 4.140 119.422 115.700 -0.696 0.000 2.436 2968 S HA 0.026 4.495 4.470 -0.001 0.000 0.228 2968 S C 0.603 175.007 174.600 -0.326 0.000 1.014 2968 S CA 0.916 58.741 58.200 -0.624 0.000 0.950 2968 S CB 0.057 62.979 63.200 -0.464 0.000 0.784 2968 S HN 0.947 nan 8.310 nan 0.000 0.504 2969 Q N -0.778 118.883 119.800 -0.231 0.000 2.617 2969 Q HA 0.519 4.858 4.340 -0.001 0.000 0.270 2969 Q C -1.610 174.339 176.000 -0.084 0.000 0.967 2969 Q CA -0.833 54.890 55.803 -0.133 0.000 0.887 2969 Q CB 1.448 30.121 28.738 -0.108 0.000 1.516 2969 Q HN -0.015 nan 8.270 nan 0.000 0.395 2970 V N 3.413 123.294 119.914 -0.056 0.000 2.370 2970 V HA 0.435 4.555 4.120 -0.001 0.000 0.279 2970 V C -0.351 175.728 176.094 -0.024 0.000 1.029 2970 V CA -0.706 61.576 62.300 -0.030 0.000 0.870 2970 V CB 1.050 32.860 31.823 -0.022 0.000 0.984 2970 V HN 0.812 nan 8.190 nan 0.000 0.451 2971 L N 9.043 130.258 121.223 -0.014 0.000 2.485 2971 L HA 0.258 4.597 4.340 -0.001 0.000 0.275 2971 L C -1.923 174.940 176.870 -0.012 0.000 1.207 2971 L CA -1.225 53.608 54.840 -0.012 0.000 0.855 2971 L CB 0.853 42.909 42.059 -0.004 0.000 1.114 2971 L HN 0.535 nan 8.230 nan 0.000 0.485 2972 P HA -0.001 nan 4.420 nan 0.000 0.269 2972 P C -0.243 177.050 177.300 -0.011 0.000 1.215 2972 P CA 0.040 63.133 63.100 -0.012 0.000 0.780 2972 P CB 0.235 31.927 31.700 -0.013 0.000 0.898 2973 N N -2.029 116.665 118.700 -0.010 0.000 2.666 2973 N HA -0.194 4.545 4.740 -0.001 0.000 0.248 2973 N C -0.093 175.411 175.510 -0.010 0.000 1.118 2973 N CA 0.427 53.471 53.050 -0.010 0.000 0.722 2973 N CB -0.960 37.520 38.487 -0.011 0.000 1.050 2973 N HN 0.550 nan 8.380 nan 0.000 0.550 2974 S N -2.107 113.587 115.700 -0.009 0.000 2.730 2974 S HA 0.449 4.919 4.470 -0.001 0.000 0.284 2974 S C 1.141 175.735 174.600 -0.009 0.000 1.153 2974 S CA -0.214 57.981 58.200 -0.009 0.000 0.995 2974 S CB 1.999 65.195 63.200 -0.007 0.000 1.058 2974 S HN 0.081 nan 8.310 nan 0.000 0.552 2975 S N -0.124 115.570 115.700 -0.009 0.000 2.425 2975 S HA 0.083 4.552 4.470 -0.001 0.000 0.225 2975 S C 1.972 176.568 174.600 -0.007 0.000 1.024 2975 S CA 0.775 58.969 58.200 -0.009 0.000 0.951 2975 S CB -1.108 62.085 63.200 -0.012 0.000 0.796 2975 S HN 0.891 nan 8.310 nan 0.000 0.498 2976 A N 1.434 124.251 122.820 -0.005 0.000 1.898 2976 A HA 0.233 4.553 4.320 -0.001 0.000 0.216 2976 A C 2.398 179.980 177.584 -0.003 0.000 1.181 2976 A CA 1.750 53.786 52.037 -0.002 0.000 0.620 2976 A CB -1.304 17.697 19.000 0.003 0.000 0.819 2976 A HN 0.674 nan 8.150 nan 0.000 0.442 2977 A N -0.196 122.620 122.820 -0.005 0.000 1.841 2977 A HA -0.129 4.190 4.320 -0.001 0.000 0.214 2977 A C 2.188 179.769 177.584 -0.006 0.000 1.195 2977 A CA 1.999 54.032 52.037 -0.007 0.000 0.611 2977 A CB -0.536 18.459 19.000 -0.009 0.000 0.835 2977 A HN 0.343 nan 8.150 nan 0.000 0.443 2978 K N 0.251 120.647 120.400 -0.007 0.000 2.000 2978 K HA -0.180 4.139 4.320 -0.001 0.000 0.218 2978 K C 2.164 178.761 176.600 -0.006 0.000 1.053 2978 K CA 2.084 58.367 56.287 -0.007 0.000 0.946 2978 K CB -0.909 31.586 32.500 -0.008 0.000 0.723 2978 K HN 0.363 nan 8.250 nan 0.000 0.446 2979 A N -0.078 122.739 122.820 -0.005 0.000 1.972 2979 A HA 0.082 4.402 4.320 -0.001 0.000 0.219 2979 A C 0.866 178.448 177.584 -0.002 0.000 1.169 2979 A CA 1.728 53.762 52.037 -0.004 0.000 0.635 2979 A CB -0.520 18.478 19.000 -0.004 0.000 0.810 2979 A HN 0.630 nan 8.150 nan 0.000 0.446 2980 G N -1.740 107.059 108.800 -0.002 0.000 3.088 2980 G HA2 0.366 4.326 3.960 -0.001 0.000 0.620 2980 G HA3 0.366 4.326 3.960 -0.001 0.000 0.620 2980 G C -0.949 173.952 174.900 0.002 0.000 1.375 2980 G CA -0.267 44.833 45.100 0.000 0.000 1.016 2980 G HN 0.847 nan 8.290 nan 0.000 0.590 2981 I N 0.463 121.035 120.570 0.002 0.000 2.397 2981 I HA 0.277 4.447 4.170 -0.001 0.000 0.311 2981 I C -1.098 175.019 176.117 0.000 0.000 2.151 2981 I CA -0.944 60.359 61.300 0.005 0.000 0.931 2981 I CB 2.177 40.181 38.000 0.006 0.000 1.653 2981 I HN 0.641 nan 8.210 nan 0.000 0.634 2982 K N 3.112 123.513 120.400 0.002 0.000 2.523 2982 K HA 0.730 5.049 4.320 -0.001 0.000 0.257 2982 K C -0.642 175.951 176.600 -0.011 0.000 0.932 2982 K CA -0.709 55.574 56.287 -0.006 0.000 0.812 2982 K CB 2.371 34.871 32.500 -0.000 0.000 1.326 2982 K HN 0.662 nan 8.250 nan 0.000 0.433 2983 A N 0.932 123.728 122.820 -0.040 0.000 2.609 2983 A HA 0.321 4.641 4.320 -0.001 0.000 0.232 2983 A C 1.225 178.801 177.584 -0.013 0.000 1.041 2983 A CA 1.800 53.786 52.037 -0.085 0.000 0.753 2983 A CB -0.671 18.257 19.000 -0.119 0.000 0.966 2983 A HN 1.033 nan 8.150 nan 0.000 0.510 2984 G N 1.506 110.315 108.800 0.015 0.000 2.604 2984 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.205 2984 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.205 2984 G C -0.009 175.071 174.900 0.300 0.000 1.186 2984 G CA 0.183 45.459 45.100 0.294 0.000 0.753 2984 G HN 0.933 nan 8.290 nan 0.000 0.526 2985 D N 1.311 121.800 120.400 0.148 0.000 2.548 2985 D HA 0.333 4.973 4.640 -0.001 0.000 0.231 2985 D C 0.397 176.800 176.300 0.171 0.000 1.142 2985 D CA 0.715 54.788 54.000 0.122 0.000 0.866 2985 D CB 1.694 42.537 40.800 0.072 0.000 1.190 2985 D HN 0.362 nan 8.370 nan 0.000 0.469 2986 V N 3.598 123.599 119.914 0.146 0.000 2.334 2986 V HA 0.154 4.273 4.120 -0.001 0.000 0.281 2986 V C 0.489 176.645 176.094 0.104 0.000 1.016 2986 V CA -0.918 61.477 62.300 0.159 0.000 0.832 2986 V CB 1.021 32.916 31.823 0.119 0.000 0.999 2986 V HN 0.299 nan 8.190 nan 0.000 0.439 2987 I N 4.385 125.019 120.570 0.107 0.000 2.710 2987 I HA 0.073 4.242 4.170 -0.001 0.000 0.286 2987 I C 1.464 177.618 176.117 0.061 0.000 1.181 2987 I CA 1.116 62.460 61.300 0.073 0.000 1.430 2987 I CB 0.872 38.913 38.000 0.067 0.000 1.367 2987 I HN 0.689 nan 8.210 nan 0.000 0.577 2988 T N 2.319 116.898 114.554 0.042 0.000 2.969 2988 T HA 0.190 4.540 4.350 -0.001 0.000 0.250 2988 T C 0.295 175.008 174.700 0.023 0.000 1.021 2988 T CA 0.359 62.479 62.100 0.032 0.000 1.003 2988 T CB 0.110 68.993 68.868 0.025 0.000 1.040 2988 T HN 0.731 nan 8.240 nan 0.000 0.492 2989 S N 0.392 116.104 115.700 0.019 0.000 2.625 2989 S HA 0.730 5.199 4.470 -0.001 0.000 0.271 2989 S C -1.805 172.798 174.600 0.006 0.000 1.161 2989 S CA -0.978 57.229 58.200 0.010 0.000 0.820 2989 S CB 1.845 65.050 63.200 0.008 0.000 1.137 2989 S HN 0.166 nan 8.310 nan 0.000 0.470 2990 L N 1.734 122.956 121.223 -0.001 0.000 2.504 2990 L HA 0.479 4.818 4.340 -0.001 0.000 0.265 2990 L C -1.132 175.734 176.870 -0.007 0.000 0.975 2990 L CA -0.332 54.504 54.840 -0.006 0.000 0.864 2990 L CB 0.867 42.917 42.059 -0.015 0.000 1.212 2990 L HN 0.949 nan 8.230 nan 0.000 0.416 2991 N N 3.667 122.363 118.700 -0.006 0.000 2.746 2991 N HA -0.186 4.554 4.740 -0.001 0.000 0.250 2991 N C 0.877 176.385 175.510 -0.004 0.000 1.055 2991 N CA 1.381 54.428 53.050 -0.006 0.000 0.699 2991 N CB -1.030 37.451 38.487 -0.009 0.000 0.919 2991 N HN 1.128 nan 8.380 nan 0.000 0.548 2992 G N -1.701 107.098 108.800 -0.002 0.000 2.458 2992 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.237 2992 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.237 2992 G C 0.185 175.085 174.900 0.000 0.000 1.113 2992 G CA 0.893 45.993 45.100 -0.001 0.000 0.655 2992 G HN 0.529 nan 8.290 nan 0.000 0.513 2993 K N 2.257 122.656 120.400 -0.001 0.000 2.298 2993 K HA 0.509 4.828 4.320 -0.001 0.000 0.280 2993 K C -2.375 174.226 176.600 0.002 0.000 1.032 2993 K CA -1.556 54.731 56.287 -0.001 0.000 0.958 2993 K CB 0.724 33.222 32.500 -0.003 0.000 0.978 2993 K HN 0.151 nan 8.250 nan 0.000 0.472 2994 P HA -0.002 nan 4.420 nan 0.000 0.265 2994 P C -0.693 176.612 177.300 0.009 0.000 1.193 2994 P CA 0.194 63.299 63.100 0.007 0.000 0.765 2994 P CB 0.437 32.142 31.700 0.008 0.000 0.823 2995 I N 2.754 123.333 120.570 0.015 0.000 2.437 2995 I HA 0.082 4.251 4.170 -0.001 0.000 0.279 2995 I C 0.990 177.126 176.117 0.031 0.000 1.028 2995 I CA -0.086 61.225 61.300 0.018 0.000 1.142 2995 I CB 0.874 38.886 38.000 0.020 0.000 1.266 2995 I HN 0.317 nan 8.210 nan 0.000 0.461 2996 S N 2.845 118.563 115.700 0.030 0.000 2.548 2996 S HA 0.180 4.649 4.470 -0.001 0.000 0.215 2996 S C 0.569 175.201 174.600 0.054 0.000 0.976 2996 S CA -0.254 57.968 58.200 0.036 0.000 0.908 2996 S CB 0.022 63.238 63.200 0.026 0.000 0.781 2996 S HN 0.654 nan 8.310 nan 0.000 0.519 2997 S N -0.443 115.297 115.700 0.067 0.000 2.543 2997 S HA 0.540 5.010 4.470 -0.001 0.000 0.274 2997 S C -0.045 174.640 174.600 0.141 0.000 1.149 2997 S CA -0.832 57.432 58.200 0.106 0.000 0.866 2997 S CB 0.290 63.542 63.200 0.086 0.000 1.111 2997 S HN -0.025 nan 8.310 nan 0.000 0.457 2998 F N 2.624 122.596 119.950 0.037 0.000 2.087 2998 F HA -0.130 4.397 4.527 -0.001 0.000 0.299 2998 F C 2.568 178.382 175.800 0.025 0.000 1.100 2998 F CA 2.631 60.650 58.000 0.032 0.000 1.226 2998 F CB -0.990 38.030 39.000 0.034 0.000 0.983 2998 F HN 0.932 nan 8.300 nan 0.000 0.479 2999 A N 0.525 123.415 122.820 0.117 0.000 1.870 2999 A HA -0.296 4.023 4.320 -0.001 0.000 0.219 2999 A C 2.509 180.064 177.584 -0.048 0.000 1.224 2999 A CA 3.094 55.146 52.037 0.025 0.000 0.650 2999 A CB -1.816 17.225 19.000 0.067 0.000 0.836 2999 A HN 0.643 nan 8.150 nan 0.000 0.454 3000 A N -0.862 121.948 122.820 -0.015 0.000 1.903 3000 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 3000 A C 2.314 179.855 177.584 -0.071 0.000 1.191 3000 A CA 1.942 53.964 52.037 -0.025 0.000 0.638 3000 A CB -0.752 18.246 19.000 -0.003 0.000 0.823 3000 A HN 0.664 nan 8.150 nan 0.000 0.451 3001 L N -1.437 119.716 121.223 -0.117 0.000 2.027 3001 L HA -0.165 4.174 4.340 -0.001 0.000 0.206 3001 L C 2.816 179.534 176.870 -0.255 0.000 1.074 3001 L CA 1.858 56.594 54.840 -0.172 0.000 0.745 3001 L CB -0.349 41.596 42.059 -0.190 0.000 0.898 3001 L HN 0.471 nan 8.230 nan 0.000 0.433 3002 R N -0.471 119.780 120.500 -0.415 0.000 2.105 3002 R HA -0.203 4.136 4.340 -0.001 0.000 0.239 3002 R C 2.157 178.349 176.300 -0.180 0.000 1.135 3002 R CA 1.564 57.432 56.100 -0.388 0.000 0.967 3002 R CB -0.232 29.792 30.300 -0.459 0.000 0.861 3002 R HN 0.512 nan 8.270 nan 0.000 0.442 3003 A N 0.108 122.854 122.820 -0.124 0.000 1.929 3003 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 3003 A C 1.965 179.514 177.584 -0.059 0.000 1.176 3003 A CA 0.975 52.976 52.037 -0.061 0.000 0.628 3003 A CB -0.270 18.715 19.000 -0.026 0.000 0.816 3003 A HN 0.398 nan 8.150 nan 0.000 0.444 3004 Q N -0.148 119.611 119.800 -0.068 0.000 2.119 3004 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 3004 Q C 2.083 178.048 176.000 -0.058 0.000 0.972 3004 Q CA 1.870 57.641 55.803 -0.054 0.000 0.847 3004 Q CB -0.369 28.339 28.738 -0.050 0.000 0.903 3004 Q HN 0.707 nan 8.270 nan 0.000 0.433 3005 V N -2.885 116.982 119.914 -0.077 0.000 3.141 3005 V HA 0.047 4.167 4.120 -0.001 0.000 0.265 3005 V C 1.714 177.772 176.094 -0.059 0.000 1.126 3005 V CA 1.578 63.837 62.300 -0.069 0.000 1.141 3005 V CB -0.871 30.900 31.823 -0.086 0.000 0.743 3005 V HN 0.267 nan 8.190 nan 0.000 0.492 3006 G N -0.251 108.514 108.800 -0.059 0.000 2.985 3006 G HA2 0.085 4.044 3.960 -0.001 0.000 0.209 3006 G HA3 0.085 4.044 3.960 -0.001 0.000 0.209 3006 G C 0.916 175.791 174.900 -0.041 0.000 1.165 3006 G CA 0.717 45.788 45.100 -0.048 0.000 0.776 3006 G HN 0.503 nan 8.290 nan 0.000 0.541 3007 T N 1.132 115.662 114.554 -0.039 0.000 3.269 3007 T HA 0.469 4.819 4.350 -0.001 0.000 0.269 3007 T C -0.092 174.589 174.700 -0.032 0.000 0.993 3007 T CA 0.013 62.093 62.100 -0.034 0.000 0.909 3007 T CB -0.171 68.679 68.868 -0.030 0.000 1.115 3007 T HN 0.096 nan 8.240 nan 0.000 0.543 3008 M N 1.917 121.497 119.600 -0.035 0.000 2.182 3008 M HA 0.352 4.832 4.480 -0.001 0.000 0.266 3008 M C -2.994 173.283 176.300 -0.038 0.000 0.989 3008 M CA -1.608 53.671 55.300 -0.034 0.000 1.003 3008 M CB 2.818 35.398 32.600 -0.034 0.000 1.812 3008 M HN -0.193 nan 8.290 nan 0.000 0.472 3009 P HA 0.249 nan 4.420 nan 0.000 0.274 3009 P C -0.415 176.852 177.300 -0.055 0.000 1.231 3009 P CA -0.538 62.532 63.100 -0.051 0.000 0.790 3009 P CB 0.540 32.208 31.700 -0.053 0.000 0.951 3010 V N 1.523 121.397 119.914 -0.066 0.000 3.212 3010 V HA -0.038 4.081 4.120 -0.001 0.000 0.280 3010 V C 1.925 177.985 176.094 -0.056 0.000 1.369 3010 V CA 1.692 63.955 62.300 -0.063 0.000 1.428 3010 V CB -1.289 30.486 31.823 -0.080 0.000 0.980 3010 V HN 1.058 nan 8.190 nan 0.000 0.527 3011 G N 2.194 110.966 108.800 -0.046 0.000 2.228 3011 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.270 3011 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.270 3011 G C 0.445 175.326 174.900 -0.033 0.000 0.976 3011 G CA 0.521 45.598 45.100 -0.039 0.000 0.636 3011 G HN 0.945 nan 8.290 nan 0.000 0.542 3012 S N 0.049 115.729 115.700 -0.033 0.000 2.589 3012 S HA 0.470 4.939 4.470 -0.001 0.000 0.265 3012 S C 0.461 175.047 174.600 -0.024 0.000 1.342 3012 S CA 0.183 58.366 58.200 -0.028 0.000 1.005 3012 S CB 0.926 64.108 63.200 -0.029 0.000 0.909 3012 S HN 0.453 nan 8.310 nan 0.000 0.555 3013 K N 1.862 122.250 120.400 -0.020 0.000 2.413 3013 K HA 0.486 4.806 4.320 -0.001 0.000 0.257 3013 K C -1.045 175.545 176.600 -0.016 0.000 0.946 3013 K CA -0.398 55.879 56.287 -0.017 0.000 0.823 3013 K CB 1.165 33.657 32.500 -0.014 0.000 1.109 3013 K HN 0.525 nan 8.250 nan 0.000 0.427 3014 L N 0.114 121.327 121.223 -0.015 0.000 2.446 3014 L HA 0.475 4.815 4.340 -0.001 0.000 0.268 3014 L C -0.520 176.344 176.870 -0.011 0.000 0.975 3014 L CA -0.715 54.117 54.840 -0.014 0.000 0.848 3014 L CB 1.877 43.925 42.059 -0.018 0.000 1.225 3014 L HN 0.365 nan 8.230 nan 0.000 0.410 3015 T N 5.128 119.677 114.554 -0.008 0.000 2.749 3015 T HA 0.664 5.014 4.350 -0.001 0.000 0.295 3015 T C -0.379 174.319 174.700 -0.003 0.000 0.936 3015 T CA -0.206 61.891 62.100 -0.005 0.000 1.060 3015 T CB 0.161 69.027 68.868 -0.004 0.000 0.904 3015 T HN 0.491 nan 8.240 nan 0.000 0.500 3016 L N 4.055 125.278 121.223 0.000 0.000 2.341 3016 L HA 0.848 5.187 4.340 -0.001 0.000 0.267 3016 L C 0.519 177.394 176.870 0.009 0.000 1.009 3016 L CA -1.243 53.599 54.840 0.004 0.000 0.819 3016 L CB 0.904 42.965 42.059 0.004 0.000 1.323 3016 L HN 0.607 nan 8.230 nan 0.000 0.425 3017 G N 1.679 110.486 108.800 0.012 0.000 2.325 3017 G HA2 0.645 4.604 3.960 -0.001 0.000 0.298 3017 G HA3 0.645 4.604 3.960 -0.001 0.000 0.298 3017 G C -0.532 174.382 174.900 0.023 0.000 1.134 3017 G CA -0.413 44.696 45.100 0.015 0.000 0.876 3017 G HN 0.514 nan 8.290 nan 0.000 0.452 3018 L N 0.940 122.179 121.223 0.025 0.000 2.376 3018 L HA 0.682 5.021 4.340 -0.001 0.000 0.267 3018 L C -0.255 176.635 176.870 0.034 0.000 1.035 3018 L CA -1.050 53.811 54.840 0.035 0.000 0.800 3018 L CB 2.029 44.108 42.059 0.034 0.000 1.290 3018 L HN 0.340 nan 8.230 nan 0.000 0.462 3019 L N 0.609 121.858 121.223 0.043 0.000 2.482 3019 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 3019 L C -0.133 176.762 176.870 0.041 0.000 0.967 3019 L CA -0.088 54.774 54.840 0.036 0.000 0.851 3019 L CB 1.546 43.625 42.059 0.034 0.000 1.242 3019 L HN 0.638 nan 8.230 nan 0.000 0.404 3020 R N 1.119 121.637 120.500 0.030 0.000 2.716 3020 R HA 0.233 4.573 4.340 -0.001 0.000 0.186 3020 R C -0.148 176.164 176.300 0.019 0.000 0.830 3020 R CA 0.545 56.663 56.100 0.030 0.000 1.059 3020 R CB 0.791 31.108 30.300 0.029 0.000 1.531 3020 R HN 0.727 nan 8.270 nan 0.000 0.633 3021 D N -2.432 117.978 120.400 0.015 0.000 2.153 3021 D HA 0.146 4.786 4.640 -0.001 0.000 0.388 3021 D C 0.210 176.516 176.300 0.009 0.000 1.014 3021 D CA 0.763 54.769 54.000 0.010 0.000 0.906 3021 D CB 1.823 42.629 40.800 0.009 0.000 1.552 3021 D HN 0.313 nan 8.370 nan 0.000 0.522 3022 G N 1.807 110.615 108.800 0.012 0.000 2.885 3022 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.233 3022 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.233 3022 G C -0.632 174.275 174.900 0.012 0.000 2.964 3022 G CA -0.716 44.391 45.100 0.011 0.000 0.824 3022 G HN -0.157 nan 8.290 nan 0.000 0.441 3023 K N 0.524 120.933 120.400 0.015 0.000 2.130 3023 K HA 0.724 5.044 4.320 -0.001 0.000 0.268 3023 K C -0.124 176.485 176.600 0.015 0.000 0.983 3023 K CA -0.583 55.713 56.287 0.014 0.000 0.893 3023 K CB 2.441 34.951 32.500 0.017 0.000 1.066 3023 K HN 0.549 nan 8.250 nan 0.000 0.450 3024 Q N 1.096 120.903 119.800 0.012 0.000 2.353 3024 Q HA 0.501 4.840 4.340 -0.001 0.000 0.275 3024 Q C -1.627 174.378 176.000 0.008 0.000 1.029 3024 Q CA -0.645 55.165 55.803 0.011 0.000 0.848 3024 Q CB 1.937 30.680 28.738 0.009 0.000 1.390 3024 Q HN 0.371 nan 8.270 nan 0.000 0.401 3025 V N 1.896 121.814 119.914 0.007 0.000 3.167 3025 V HA 0.657 4.777 4.120 -0.001 0.000 0.310 3025 V C -1.104 174.991 176.094 0.002 0.000 1.207 3025 V CA -1.043 61.260 62.300 0.004 0.000 1.059 3025 V CB 2.252 34.077 31.823 0.004 0.000 1.079 3025 V HN 0.944 nan 8.190 nan 0.000 0.446 3026 N N 0.906 119.605 118.700 -0.000 0.000 2.225 3026 N HA 0.815 5.554 4.740 -0.001 0.000 0.298 3026 N C -1.046 174.461 175.510 -0.004 0.000 1.076 3026 N CA -0.452 52.597 53.050 -0.003 0.000 0.792 3026 N CB 2.377 40.862 38.487 -0.003 0.000 1.498 3026 N HN 1.071 nan 8.380 nan 0.000 0.474 3027 V N -1.579 118.331 119.914 -0.006 0.000 3.282 3027 V HA 0.619 4.739 4.120 -0.001 0.000 0.295 3027 V C -1.423 174.665 176.094 -0.011 0.000 1.451 3027 V CA -1.161 61.134 62.300 -0.008 0.000 1.062 3027 V CB 1.753 33.572 31.823 -0.007 0.000 1.128 3027 V HN 0.956 nan 8.190 nan 0.000 0.456 3028 N N 1.854 120.546 118.700 -0.013 0.000 2.372 3028 N HA 0.534 5.273 4.740 -0.001 0.000 0.285 3028 N C -0.977 174.522 175.510 -0.019 0.000 1.008 3028 N CA -0.457 52.583 53.050 -0.017 0.000 0.880 3028 N CB 1.852 40.329 38.487 -0.017 0.000 1.239 3028 N HN 0.915 nan 8.380 nan 0.000 0.484 3029 L N 0.835 122.044 121.223 -0.022 0.000 2.399 3029 L HA 0.636 4.976 4.340 -0.001 0.000 0.265 3029 L C 0.652 177.505 176.870 -0.028 0.000 1.089 3029 L CA -0.513 54.313 54.840 -0.023 0.000 0.802 3029 L CB 0.186 42.230 42.059 -0.025 0.000 1.180 3029 L HN 0.549 nan 8.230 nan 0.000 0.454 3030 E N 0.963 121.147 120.200 -0.027 0.000 2.316 3030 E HA 0.354 4.703 4.350 -0.001 0.000 0.258 3030 E C -0.687 175.893 176.600 -0.033 0.000 0.952 3030 E CA -1.098 55.284 56.400 -0.031 0.000 0.818 3030 E CB 1.409 31.093 29.700 -0.027 0.000 1.260 3030 E HN 0.543 nan 8.360 nan 0.000 0.416 3031 L N 1.843 123.043 121.223 -0.039 0.000 2.593 3031 L HA -0.072 4.267 4.340 -0.001 0.000 0.287 3031 L C 0.821 177.675 176.870 -0.027 0.000 1.243 3031 L CA 0.994 55.811 54.840 -0.038 0.000 0.890 3031 L CB 0.106 42.140 42.059 -0.042 0.000 1.134 3031 L HN 0.824 nan 8.230 nan 0.000 0.502 3032 Q N 3.174 122.960 119.800 -0.024 0.000 2.651 3032 Q HA -0.031 4.309 4.340 -0.001 0.000 0.224 3032 Q C 0.695 176.688 176.000 -0.011 0.000 1.094 3032 Q CA 0.147 55.941 55.803 -0.015 0.000 1.018 3032 Q CB 0.608 29.338 28.738 -0.014 0.000 1.292 3032 Q HN 0.698 nan 8.270 nan 0.000 0.588 3033 Q N 0.391 120.187 119.800 -0.006 0.000 2.281 3033 Q HA 0.098 4.438 4.340 -0.001 0.000 0.215 3033 Q C 1.044 177.044 176.000 -0.001 0.000 0.867 3033 Q CA 0.581 56.382 55.803 -0.004 0.000 0.940 3033 Q CB 0.345 29.080 28.738 -0.004 0.000 1.111 3033 Q HN 0.599 nan 8.270 nan 0.000 0.513 3034 S N 2.129 117.830 115.700 0.002 0.000 2.356 3034 S HA -0.045 4.424 4.470 -0.001 0.000 0.223 3034 S C 0.963 175.566 174.600 0.006 0.000 1.032 3034 S CA 1.118 59.322 58.200 0.007 0.000 1.005 3034 S CB -0.096 63.110 63.200 0.011 0.000 0.867 3034 S HN 0.669 nan 8.310 nan 0.000 0.449 3035 S N 1.969 117.671 115.700 0.003 0.000 2.411 3035 S HA 0.573 5.042 4.470 -0.001 0.000 0.304 3035 S C -0.534 174.067 174.600 0.001 0.000 1.098 3035 S CA -0.702 57.500 58.200 0.003 0.000 1.068 3035 S CB 0.719 63.921 63.200 0.002 0.000 1.032 3035 S HN 0.348 nan 8.310 nan 0.000 0.511 3036 Q N 2.298 122.099 119.800 0.001 0.000 2.605 3036 Q HA 0.528 4.867 4.340 -0.001 0.000 0.296 3036 Q C -0.752 175.247 176.000 -0.003 0.000 1.056 3036 Q CA -1.157 54.645 55.803 -0.002 0.000 0.778 3036 Q CB 1.407 30.142 28.738 -0.005 0.000 1.497 3036 Q HN 0.676 nan 8.270 nan 0.000 0.443 3037 N N -0.117 118.579 118.700 -0.007 0.000 2.525 3037 N HA 0.383 5.122 4.740 -0.001 0.000 0.288 3037 N C -0.398 175.096 175.510 -0.027 0.000 1.242 3037 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 3037 N CB 1.825 40.308 38.487 -0.007 0.000 1.258 3037 N HN 0.501 nan 8.380 nan 0.000 0.551 3038 Q N -0.433 119.342 119.800 -0.042 0.000 1.734 3038 Q HA 0.163 4.502 4.340 -0.001 0.000 0.147 3038 Q C 0.851 176.775 176.000 -0.126 0.000 0.447 3038 Q CA -0.178 55.578 55.803 -0.078 0.000 0.734 3038 Q CB 0.177 28.867 28.738 -0.080 0.000 0.855 3038 Q HN 0.449 nan 8.270 nan 0.000 0.259 3039 V N -0.581 119.230 119.914 -0.171 0.000 3.271 3039 V HA 0.288 4.407 4.120 -0.001 0.000 0.327 3039 V C -0.003 176.029 176.094 -0.103 0.000 1.389 3039 V CA 0.873 63.023 62.300 -0.250 0.000 1.156 3039 V CB -0.053 31.423 31.823 -0.579 0.000 1.103 3039 V HN 0.590 nan 8.190 nan 0.000 0.453 3040 D N -1.195 119.176 120.400 -0.049 0.000 2.433 3040 D HA 0.117 4.756 4.640 -0.001 0.000 0.211 3040 D C 1.625 177.929 176.300 0.007 0.000 1.114 3040 D CA 0.757 54.756 54.000 -0.002 0.000 0.837 3040 D CB 0.604 41.411 40.800 0.011 0.000 0.984 3040 D HN 0.276 nan 8.370 nan 0.000 0.505 3041 S N -0.494 115.203 115.700 -0.006 0.000 2.348 3041 S HA 0.049 4.518 4.470 -0.001 0.000 0.219 3041 S C 0.791 175.399 174.600 0.013 0.000 1.033 3041 S CA 0.262 58.465 58.200 0.005 0.000 0.974 3041 S CB -0.045 63.154 63.200 -0.002 0.000 0.868 3041 S HN 0.202 nan 8.310 nan 0.000 0.459 3042 S N 2.198 117.903 115.700 0.009 0.000 2.410 3042 S HA 0.206 4.675 4.470 -0.001 0.000 0.304 3042 S C 1.154 175.776 174.600 0.036 0.000 1.095 3042 S CA -0.451 57.763 58.200 0.022 0.000 1.089 3042 S CB 1.352 64.564 63.200 0.021 0.000 0.968 3042 S HN 0.540 nan 8.310 nan 0.000 0.480 3043 S N 2.997 118.723 115.700 0.042 0.000 2.462 3043 S HA -0.214 4.255 4.470 -0.001 0.000 0.251 3043 S C 1.301 175.948 174.600 0.078 0.000 1.018 3043 S CA 0.943 59.176 58.200 0.055 0.000 0.988 3043 S CB -0.595 62.633 63.200 0.046 0.000 0.766 3043 S HN 0.656 nan 8.310 nan 0.000 0.504 3044 I N 0.177 120.796 120.570 0.082 0.000 3.252 3044 I HA 0.444 4.613 4.170 -0.001 0.000 0.151 3044 I C 0.283 176.532 176.117 0.220 0.000 1.031 3044 I CA 0.763 62.135 61.300 0.120 0.000 1.364 3044 I CB -0.011 38.048 38.000 0.099 0.000 1.211 3044 I HN 0.398 nan 8.210 nan 0.000 0.436 3045 F N -0.598 119.362 119.950 0.017 0.000 2.765 3045 F HA 0.256 4.783 4.527 -0.001 0.000 0.313 3045 F C -0.643 175.167 175.800 0.017 0.000 1.136 3045 F CA -0.571 57.439 58.000 0.017 0.000 0.952 3045 F CB 0.191 39.200 39.000 0.015 0.000 1.268 3045 F HN 0.482 nan 8.300 nan 0.000 0.441 3046 N N 1.199 119.470 118.700 -0.715 0.000 2.448 3046 N HA 0.340 5.079 4.740 -0.001 0.000 0.203 3046 N C -1.884 173.300 175.510 -0.543 0.000 1.794 3046 N CA -0.591 52.247 53.050 -0.353 0.000 1.445 3046 N CB 0.660 39.042 38.487 -0.174 0.000 1.055 3046 N HN 0.546 nan 8.380 nan 0.000 0.859 3047 E N 0.009 120.182 120.200 -0.044 0.000 2.956 3047 E HA 0.269 4.619 4.350 -0.001 0.000 0.353 3047 E C -1.194 175.392 176.600 -0.022 0.000 1.131 3047 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 3047 E CB 0.749 30.433 29.700 -0.026 0.000 1.500 3047 E HN 0.212 nan 8.360 nan 0.000 0.384 3048 M N 0.729 120.317 119.600 -0.021 0.000 2.278 3048 M HA 0.530 5.010 4.480 -0.001 0.000 0.227 3048 M C 0.485 176.779 176.300 -0.010 0.000 1.138 3048 M CA -0.209 55.083 55.300 -0.014 0.000 1.014 3048 M CB 0.807 33.401 32.600 -0.011 0.000 1.289 3048 M HN 0.300 nan 8.290 nan 0.000 0.567 3049 S N -1.983 113.713 115.700 -0.007 0.000 2.663 3049 S HA 0.474 4.944 4.470 -0.001 0.000 0.264 3049 S C -1.557 173.039 174.600 -0.006 0.000 1.112 3049 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 3049 S CB 0.487 63.682 63.200 -0.009 0.000 1.111 3049 S HN 0.566 nan 8.310 nan 0.000 0.476 3050 N N 0.733 119.427 118.700 -0.010 0.000 2.483 3050 N HA 0.528 5.268 4.740 -0.001 0.000 0.269 3050 N C -0.796 174.697 175.510 -0.027 0.000 1.209 3050 N CA -0.265 52.774 53.050 -0.018 0.000 0.969 3050 N CB 1.017 39.484 38.487 -0.032 0.000 1.173 3050 N HN 0.628 nan 8.380 nan 0.000 0.475 3051 K N 0.382 120.765 120.400 -0.028 0.000 2.413 3051 K HA 0.469 4.789 4.320 -0.001 0.000 0.257 3051 K C 0.489 177.065 176.600 -0.038 0.000 0.946 3051 K CA -0.301 55.968 56.287 -0.029 0.000 0.823 3051 K CB 0.809 33.296 32.500 -0.020 0.000 1.109 3051 K HN 0.686 nan 8.250 nan 0.000 0.427 3052 G N 3.780 112.554 108.800 -0.044 0.000 2.568 3052 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.334 3052 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.334 3052 G C -0.119 174.741 174.900 -0.067 0.000 1.348 3052 G CA 0.589 45.659 45.100 -0.050 0.000 0.949 3052 G HN 0.737 nan 8.290 nan 0.000 0.532 3053 K N 0.639 121.002 120.400 -0.061 0.000 2.797 3053 K HA 0.104 4.424 4.320 -0.001 0.000 0.307 3053 K C 0.529 177.094 176.600 -0.058 0.000 1.072 3053 K CA 0.647 56.891 56.287 -0.071 0.000 0.981 3053 K CB -0.724 31.747 32.500 -0.048 0.000 1.078 3053 K HN 0.443 nan 8.250 nan 0.000 0.459 3054 D N 1.223 121.601 120.400 -0.037 0.000 2.941 3054 D HA 0.012 4.652 4.640 -0.001 0.000 0.236 3054 D C -0.299 175.999 176.300 -0.004 0.000 1.147 3054 D CA 0.422 54.416 54.000 -0.010 0.000 0.975 3054 D CB -0.486 40.323 40.800 0.015 0.000 1.162 3054 D HN 0.231 nan 8.370 nan 0.000 0.444 3055 Q N 0.731 120.524 119.800 -0.012 0.000 2.819 3055 Q HA 0.384 4.723 4.340 -0.001 0.000 0.392 3055 Q C 0.814 176.812 176.000 -0.003 0.000 1.088 3055 Q CA -0.620 55.179 55.803 -0.007 0.000 1.062 3055 Q CB 0.868 29.599 28.738 -0.012 0.000 1.369 3055 Q HN 0.426 nan 8.270 nan 0.000 0.434 3056 G N -0.235 108.568 108.800 0.005 0.000 2.750 3056 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.228 3056 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.228 3056 G C -0.638 174.265 174.900 0.005 0.000 1.367 3056 G CA -0.740 44.365 45.100 0.009 0.000 0.871 3056 G HN 0.261 nan 8.290 nan 0.000 0.560 3057 V N 0.166 120.084 119.914 0.007 0.000 2.349 3057 V HA 0.500 4.619 4.120 -0.001 0.000 0.284 3057 V C 0.636 176.729 176.094 -0.002 0.000 1.014 3057 V CA -0.656 61.647 62.300 0.004 0.000 0.826 3057 V CB 1.349 33.178 31.823 0.011 0.000 1.009 3057 V HN 0.844 nan 8.190 nan 0.000 0.431 3058 V N 5.901 125.811 119.914 -0.007 0.000 2.488 3058 V HA 0.250 4.369 4.120 -0.001 0.000 0.277 3058 V C 0.316 176.404 176.094 -0.011 0.000 1.046 3058 V CA -0.011 62.282 62.300 -0.010 0.000 0.986 3058 V CB 1.812 33.627 31.823 -0.013 0.000 0.989 3058 V HN 0.653 nan 8.190 nan 0.000 0.475 3059 V N 7.684 127.591 119.914 -0.012 0.000 2.607 3059 V HA 0.447 4.567 4.120 -0.001 0.000 0.289 3059 V C 0.373 176.459 176.094 -0.013 0.000 1.053 3059 V CA -0.272 62.021 62.300 -0.013 0.000 0.996 3059 V CB 1.402 33.217 31.823 -0.013 0.000 0.995 3059 V HN 0.973 nan 8.190 nan 0.000 0.476 3060 N N 3.776 122.468 118.700 -0.014 0.000 2.752 3060 N HA 0.292 5.031 4.740 -0.001 0.000 0.316 3060 N C -0.334 175.168 175.510 -0.012 0.000 1.343 3060 N CA -0.732 52.310 53.050 -0.013 0.000 0.875 3060 N CB -0.002 38.478 38.487 -0.012 0.000 1.120 3060 N HN 0.687 nan 8.380 nan 0.000 0.562 3061 N N 1.743 120.437 118.700 -0.011 0.000 2.291 3061 N HA -0.047 4.693 4.740 -0.001 0.000 0.281 3061 N C 0.042 175.546 175.510 -0.010 0.000 1.388 3061 N CA 0.224 53.268 53.050 -0.009 0.000 0.920 3061 N CB -0.228 38.255 38.487 -0.008 0.000 1.276 3061 N HN 0.272 nan 8.380 nan 0.000 0.493 3062 V N 0.538 120.446 119.914 -0.009 0.000 3.185 3062 V HA 0.306 4.425 4.120 -0.001 0.000 0.305 3062 V C 0.973 177.064 176.094 -0.005 0.000 1.090 3062 V CA -0.343 61.951 62.300 -0.009 0.000 1.107 3062 V CB 1.029 32.847 31.823 -0.007 0.000 1.061 3062 V HN 0.297 nan 8.190 nan 0.000 0.480 3063 K N 1.148 121.547 120.400 -0.003 0.000 2.642 3063 K HA 0.510 4.830 4.320 -0.001 0.000 0.273 3063 K C 1.269 177.874 176.600 0.009 0.000 1.029 3063 K CA -0.006 56.283 56.287 0.004 0.000 1.071 3063 K CB 0.596 33.099 32.500 0.006 0.000 1.451 3063 K HN 0.830 nan 8.250 nan 0.000 0.559 3064 T N -0.228 114.335 114.554 0.015 0.000 3.010 3064 T HA 0.011 4.361 4.350 -0.001 0.000 0.252 3064 T C 1.653 176.367 174.700 0.024 0.000 1.047 3064 T CA 1.017 63.128 62.100 0.018 0.000 1.140 3064 T CB -0.206 68.674 68.868 0.020 0.000 0.885 3064 T HN 0.700 nan 8.240 nan 0.000 0.464 3065 G N 1.943 110.762 108.800 0.032 0.000 2.448 3065 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.219 3065 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.219 3065 G C 1.059 175.982 174.900 0.037 0.000 1.127 3065 G CA 1.638 46.763 45.100 0.042 0.000 0.766 3065 G HN 0.700 nan 8.290 nan 0.000 0.552 3066 T N -2.691 111.879 114.554 0.028 0.000 3.996 3066 T HA -0.193 4.157 4.350 -0.001 0.000 0.348 3066 T C -0.739 173.977 174.700 0.027 0.000 0.757 3066 T CA 1.119 63.232 62.100 0.021 0.000 1.898 3066 T CB -2.253 66.625 68.868 0.017 0.000 1.861 3066 T HN 0.423 nan 8.240 nan 0.000 0.821 3067 P HA 0.150 nan 4.420 nan 0.000 0.218 3067 P C 1.752 179.072 177.300 0.032 0.000 1.149 3067 P CA 1.446 64.577 63.100 0.051 0.000 0.817 3067 P CB -0.255 31.498 31.700 0.089 0.000 0.785 3068 A N -0.656 122.171 122.820 0.013 0.000 2.044 3068 A HA 0.278 4.598 4.320 -0.001 0.000 0.213 3068 A C 2.166 179.752 177.584 0.003 0.000 1.169 3068 A CA 1.076 53.115 52.037 0.003 0.000 0.724 3068 A CB -1.169 17.821 19.000 -0.016 0.000 0.840 3068 A HN 0.139 nan 8.150 nan 0.000 0.463 3069 A N -0.471 122.352 122.820 0.004 0.000 1.929 3069 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 3069 A C 1.988 179.576 177.584 0.006 0.000 1.176 3069 A CA 1.412 53.450 52.037 0.002 0.000 0.628 3069 A CB -0.509 18.492 19.000 0.002 0.000 0.816 3069 A HN 0.558 nan 8.150 nan 0.000 0.444 3070 Q N -1.461 118.346 119.800 0.012 0.000 2.368 3070 Q HA -0.104 4.236 4.340 -0.001 0.000 0.210 3070 Q C 0.867 176.875 176.000 0.015 0.000 0.982 3070 Q CA 0.824 56.636 55.803 0.015 0.000 0.884 3070 Q CB -0.139 28.612 28.738 0.022 0.000 0.933 3070 Q HN 0.604 nan 8.270 nan 0.000 0.460 3071 I N -0.542 120.036 120.570 0.014 0.000 3.858 3071 I HA 0.156 4.326 4.170 -0.001 0.000 0.325 3071 I C 0.631 176.753 176.117 0.008 0.000 1.403 3071 I CA 0.480 61.789 61.300 0.015 0.000 1.169 3071 I CB 0.039 38.051 38.000 0.019 0.000 1.077 3071 I HN 0.206 nan 8.210 nan 0.000 0.403 3072 G N 0.968 109.770 108.800 0.003 0.000 2.160 3072 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.244 3072 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.244 3072 G C -0.251 174.641 174.900 -0.013 0.000 1.022 3072 G CA -0.007 45.089 45.100 -0.006 0.000 0.741 3072 G HN 0.208 nan 8.290 nan 0.000 0.508 3073 L N 0.518 121.736 121.223 -0.009 0.000 2.294 3073 L HA 0.566 4.905 4.340 -0.001 0.000 0.283 3073 L C 0.806 177.669 176.870 -0.012 0.000 1.015 3073 L CA -0.502 54.330 54.840 -0.013 0.000 0.831 3073 L CB 1.391 43.444 42.059 -0.010 0.000 1.217 3073 L HN 0.292 nan 8.230 nan 0.000 0.420 3074 K N 2.039 122.430 120.400 -0.016 0.000 3.015 3074 K HA 0.236 4.556 4.320 -0.001 0.000 0.340 3074 K C 0.884 177.476 176.600 -0.013 0.000 1.002 3074 K CA -0.009 56.270 56.287 -0.014 0.000 1.190 3074 K CB 0.533 33.023 32.500 -0.017 0.000 1.241 3074 K HN 0.454 nan 8.250 nan 0.000 0.507 3075 K N -1.003 119.389 120.400 -0.013 0.000 2.262 3075 K HA 0.096 4.416 4.320 -0.001 0.000 0.200 3075 K C 0.506 177.098 176.600 -0.014 0.000 1.049 3075 K CA 0.750 57.029 56.287 -0.012 0.000 0.979 3075 K CB 0.593 33.086 32.500 -0.011 0.000 0.773 3075 K HN 0.552 nan 8.250 nan 0.000 0.474 3076 G N 2.094 110.885 108.800 -0.015 0.000 4.713 3076 G HA2 0.165 4.125 3.960 -0.001 0.000 0.318 3076 G HA3 0.165 4.125 3.960 -0.001 0.000 0.318 3076 G C -1.615 173.274 174.900 -0.018 0.000 1.435 3076 G CA -0.463 44.628 45.100 -0.016 0.000 0.965 3076 G HN -0.029 nan 8.290 nan 0.000 0.542 3077 D N 1.004 121.393 120.400 -0.019 0.000 2.381 3077 D HA 0.429 5.068 4.640 -0.001 0.000 0.235 3077 D C 0.559 176.849 176.300 -0.018 0.000 1.068 3077 D CA -0.268 53.718 54.000 -0.022 0.000 0.832 3077 D CB 2.391 43.177 40.800 -0.024 0.000 1.101 3077 D HN 0.095 nan 8.370 nan 0.000 0.515 3078 V N 2.257 122.161 119.914 -0.018 0.000 3.214 3078 V HA 0.407 4.526 4.120 -0.001 0.000 0.306 3078 V C 0.642 176.732 176.094 -0.007 0.000 1.078 3078 V CA -0.580 61.713 62.300 -0.011 0.000 1.077 3078 V CB 0.992 32.809 31.823 -0.010 0.000 1.121 3078 V HN 0.486 nan 8.190 nan 0.000 0.468 3079 I N 2.616 123.188 120.570 0.003 0.000 2.719 3079 I HA 0.246 4.415 4.170 -0.001 0.000 0.275 3079 I C 0.165 176.295 176.117 0.022 0.000 1.228 3079 I CA -0.181 61.127 61.300 0.013 0.000 1.035 3079 I CB 1.288 39.297 38.000 0.015 0.000 1.286 3079 I HN 0.462 nan 8.210 nan 0.000 0.531 3080 I N 1.900 122.485 120.570 0.026 0.000 3.226 3080 I HA 0.133 4.303 4.170 -0.001 0.000 0.277 3080 I C 1.452 177.594 176.117 0.042 0.000 1.243 3080 I CA 0.629 61.947 61.300 0.030 0.000 1.459 3080 I CB -0.702 37.315 38.000 0.028 0.000 1.093 3080 I HN 0.428 nan 8.210 nan 0.000 0.453 3081 G N 1.527 110.361 108.800 0.056 0.000 2.350 3081 G HA2 0.465 4.424 3.960 -0.001 0.000 0.306 3081 G HA3 0.465 4.424 3.960 -0.001 0.000 0.306 3081 G C 0.459 175.392 174.900 0.056 0.000 1.094 3081 G CA -0.250 44.891 45.100 0.068 0.000 0.953 3081 G HN 0.281 nan 8.290 nan 0.000 0.420 3082 A N 3.480 126.325 122.820 0.042 0.000 3.004 3082 A HA 0.264 4.584 4.320 -0.001 0.000 0.252 3082 A C 1.410 179.014 177.584 0.033 0.000 1.802 3082 A CA 0.276 52.333 52.037 0.034 0.000 1.424 3082 A CB -1.033 17.983 19.000 0.027 0.000 1.005 3082 A HN 1.397 nan 8.150 nan 0.000 0.631 3083 N N -0.233 118.493 118.700 0.043 0.000 2.815 3083 N HA -0.339 4.401 4.740 -0.001 0.000 0.247 3083 N C 0.888 176.411 175.510 0.023 0.000 1.030 3083 N CA 2.774 55.848 53.050 0.040 0.000 0.881 3083 N CB -0.686 37.819 38.487 0.030 0.000 1.134 3083 N HN 0.915 nan 8.380 nan 0.000 0.582 3084 Q N -5.436 114.377 119.800 0.021 0.000 7.202 3084 Q HA -0.054 4.285 4.340 -0.001 0.000 0.338 3084 Q C -0.013 175.992 176.000 0.009 0.000 0.933 3084 Q CA -0.158 55.645 55.803 0.001 0.000 0.563 3084 Q CB -0.381 28.352 28.738 -0.008 0.000 0.472 3084 Q HN 0.403 nan 8.270 nan 0.000 0.823 3085 Q N 0.959 120.769 119.800 0.017 0.000 2.665 3085 Q HA 0.786 5.125 4.340 -0.001 0.000 0.176 3085 Q C -0.581 175.435 176.000 0.026 0.000 1.025 3085 Q CA 0.024 55.838 55.803 0.018 0.000 0.953 3085 Q CB 1.406 30.153 28.738 0.015 0.000 2.143 3085 Q HN 0.360 nan 8.270 nan 0.000 0.464 3086 A N 0.608 123.442 122.820 0.024 0.000 2.320 3086 A HA 0.415 4.735 4.320 -0.001 0.000 0.287 3086 A C -0.636 176.965 177.584 0.029 0.000 1.181 3086 A CA -0.267 51.786 52.037 0.026 0.000 0.831 3086 A CB 0.338 19.352 19.000 0.023 0.000 1.102 3086 A HN 0.317 nan 8.150 nan 0.000 0.513 3087 V N 5.354 125.287 119.914 0.031 0.000 2.320 3087 V HA 0.092 4.211 4.120 -0.001 0.000 0.257 3087 V C 1.215 177.327 176.094 0.031 0.000 0.996 3087 V CA -0.354 61.965 62.300 0.032 0.000 0.928 3087 V CB 0.453 32.295 31.823 0.031 0.000 1.169 3087 V HN 1.110 nan 8.190 nan 0.000 0.475 3088 K N 1.452 121.873 120.400 0.035 0.000 2.365 3088 K HA -0.000 4.319 4.320 -0.001 0.000 0.199 3088 K C 0.378 177.002 176.600 0.040 0.000 1.045 3088 K CA 0.919 57.226 56.287 0.033 0.000 0.962 3088 K CB 0.102 32.624 32.500 0.038 0.000 0.759 3088 K HN 0.696 nan 8.250 nan 0.000 0.469 3089 N N -1.069 117.662 118.700 0.052 0.000 2.961 3089 N HA 0.153 4.893 4.740 -0.001 0.000 0.245 3089 N C 0.216 175.761 175.510 0.058 0.000 1.404 3089 N CA -0.829 52.259 53.050 0.064 0.000 0.880 3089 N CB 0.171 38.732 38.487 0.123 0.000 1.461 3089 N HN -0.124 nan 8.380 nan 0.000 0.510 3090 I N -0.231 120.373 120.570 0.056 0.000 2.423 3090 I HA -0.206 3.963 4.170 -0.001 0.000 0.254 3090 I C 2.203 178.346 176.117 0.043 0.000 1.151 3090 I CA 1.650 62.976 61.300 0.043 0.000 1.421 3090 I CB -0.573 37.449 38.000 0.037 0.000 1.079 3090 I HN 0.754 nan 8.210 nan 0.000 0.431 3091 A N 0.726 123.579 122.820 0.054 0.000 1.855 3091 A HA -0.200 4.119 4.320 -0.001 0.000 0.215 3091 A C 2.281 179.883 177.584 0.029 0.000 1.191 3091 A CA 1.552 53.608 52.037 0.032 0.000 0.613 3091 A CB -0.507 18.498 19.000 0.009 0.000 0.829 3091 A HN 0.397 nan 8.150 nan 0.000 0.442 3092 E N -0.389 119.833 120.200 0.036 0.000 2.017 3092 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 3092 E C 2.081 178.699 176.600 0.029 0.000 0.997 3092 E CA 1.028 57.446 56.400 0.031 0.000 0.804 3092 E CB -0.312 29.410 29.700 0.036 0.000 0.757 3092 E HN 0.489 nan 8.360 nan 0.000 0.448 3093 L N 1.604 122.846 121.223 0.032 0.000 1.978 3093 L HA -0.275 4.065 4.340 -0.001 0.000 0.218 3093 L C 2.399 179.285 176.870 0.027 0.000 1.075 3093 L CA 2.021 56.879 54.840 0.028 0.000 0.767 3093 L CB -0.642 41.434 42.059 0.027 0.000 0.890 3093 L HN 0.099 nan 8.230 nan 0.000 0.434 3094 R N 0.033 120.549 120.500 0.027 0.000 2.193 3094 R HA -0.227 4.113 4.340 -0.001 0.000 0.229 3094 R C 2.273 178.590 176.300 0.028 0.000 1.110 3094 R CA 1.582 57.698 56.100 0.027 0.000 0.988 3094 R CB -0.079 30.238 30.300 0.028 0.000 0.871 3094 R HN 0.363 nan 8.270 nan 0.000 0.458 3095 K N -0.570 119.846 120.400 0.027 0.000 2.288 3095 K HA -0.031 4.288 4.320 -0.001 0.000 0.201 3095 K C 1.327 177.939 176.600 0.021 0.000 1.048 3095 K CA 0.969 57.271 56.287 0.024 0.000 0.956 3095 K CB 0.390 32.903 32.500 0.021 0.000 0.746 3095 K HN 0.050 nan 8.250 nan 0.000 0.461 3096 V N 0.489 120.416 119.914 0.022 0.000 2.795 3096 V HA -0.002 4.117 4.120 -0.001 0.000 0.243 3096 V C 1.564 177.671 176.094 0.021 0.000 1.069 3096 V CA 0.629 62.941 62.300 0.020 0.000 1.089 3096 V CB -0.134 31.701 31.823 0.021 0.000 0.756 3096 V HN 0.216 nan 8.190 nan 0.000 0.471 3097 L N 0.952 122.189 121.223 0.024 0.000 2.737 3097 L HA 0.042 4.382 4.340 -0.001 0.000 0.246 3097 L C 1.472 178.358 176.870 0.026 0.000 1.153 3097 L CA 1.091 55.946 54.840 0.026 0.000 0.920 3097 L CB -0.501 41.574 42.059 0.027 0.000 1.090 3097 L HN 0.443 nan 8.230 nan 0.000 0.430 3098 D N -1.431 118.984 120.400 0.024 0.000 2.415 3098 D HA -0.074 4.565 4.640 -0.001 0.000 0.269 3098 D C 2.011 178.322 176.300 0.018 0.000 1.099 3098 D CA 0.862 54.876 54.000 0.023 0.000 0.865 3098 D CB 0.416 41.231 40.800 0.025 0.000 1.359 3098 D HN 0.092 nan 8.370 nan 0.000 0.506 3099 S N 0.024 115.734 115.700 0.016 0.000 2.387 3099 S HA -0.036 4.433 4.470 -0.001 0.000 0.221 3099 S C 0.996 175.603 174.600 0.012 0.000 1.041 3099 S CA 0.199 58.407 58.200 0.012 0.000 0.959 3099 S CB -0.470 62.736 63.200 0.011 0.000 0.843 3099 S HN 0.276 nan 8.310 nan 0.000 0.488 3100 K N 1.537 121.946 120.400 0.014 0.000 2.602 3100 K HA 0.509 4.829 4.320 -0.001 0.000 0.201 3100 K C -2.844 173.766 176.600 0.016 0.000 1.070 3100 K CA -1.660 54.635 56.287 0.013 0.000 1.026 3100 K CB 1.109 33.615 32.500 0.011 0.000 1.534 3100 K HN 0.071 nan 8.250 nan 0.000 0.560 3101 P HA -0.088 nan 4.420 nan 0.000 0.252 3101 P C 0.449 177.760 177.300 0.018 0.000 1.265 3101 P CA 0.373 63.485 63.100 0.020 0.000 0.775 3101 P CB 0.346 32.059 31.700 0.021 0.000 1.128 3102 S N -1.735 113.974 115.700 0.015 0.000 2.288 3102 S HA 0.033 4.503 4.470 -0.001 0.000 0.191 3102 S C 0.771 175.380 174.600 0.015 0.000 1.028 3102 S CA 0.374 58.582 58.200 0.013 0.000 1.030 3102 S CB -0.868 62.338 63.200 0.010 0.000 0.932 3102 S HN -0.110 nan 8.310 nan 0.000 0.463 3103 V N 2.673 122.595 119.914 0.013 0.000 2.427 3103 V HA 0.666 4.786 4.120 -0.001 0.000 0.286 3103 V C -0.769 175.336 176.094 0.017 0.000 1.034 3103 V CA -0.613 61.695 62.300 0.014 0.000 0.893 3103 V CB 1.012 32.840 31.823 0.008 0.000 0.982 3103 V HN 0.568 nan 8.190 nan 0.000 0.452 3104 L N 5.144 126.381 121.223 0.023 0.000 2.404 3104 L HA 0.880 5.219 4.340 -0.001 0.000 0.272 3104 L C -0.184 176.708 176.870 0.037 0.000 0.980 3104 L CA -0.340 54.517 54.840 0.029 0.000 0.836 3104 L CB 1.504 43.582 42.059 0.031 0.000 1.238 3104 L HN 0.706 nan 8.230 nan 0.000 0.408 3105 A N 5.989 128.835 122.820 0.044 0.000 2.363 3105 A HA 0.618 4.938 4.320 -0.001 0.000 0.296 3105 A C -1.256 176.385 177.584 0.095 0.000 1.237 3105 A CA -0.518 51.561 52.037 0.071 0.000 0.773 3105 A CB 0.525 19.559 19.000 0.057 0.000 1.153 3105 A HN 0.516 nan 8.150 nan 0.000 0.473 3106 L N 2.811 124.090 121.223 0.094 0.000 2.433 3106 L HA 0.116 4.456 4.340 -0.001 0.000 0.284 3106 L C -0.113 176.835 176.870 0.131 0.000 1.120 3106 L CA 0.079 54.972 54.840 0.087 0.000 0.879 3106 L CB -0.814 41.275 42.059 0.050 0.000 1.232 3106 L HN 0.609 nan 8.230 nan 0.000 0.454 3107 N N 4.403 123.208 118.700 0.175 0.000 2.950 3107 N HA 0.084 4.823 4.740 -0.001 0.000 0.313 3107 N C 0.324 175.880 175.510 0.077 0.000 1.213 3107 N CA 0.086 53.291 53.050 0.258 0.000 1.184 3107 N CB -0.412 38.230 38.487 0.258 0.000 1.454 3107 N HN 0.618 nan 8.380 nan 0.000 0.532 3108 I N -1.622 118.941 120.570 -0.012 0.000 2.499 3108 I HA 0.377 4.547 4.170 -0.001 0.000 0.296 3108 I C -0.453 175.602 176.117 -0.103 0.000 0.992 3108 I CA -0.800 60.474 61.300 -0.043 0.000 1.297 3108 I CB 1.336 39.314 38.000 -0.037 0.000 1.410 3108 I HN 0.116 nan 8.210 nan 0.000 0.507 3109 Q N 6.487 126.246 119.800 -0.067 0.000 2.589 3109 Q HA 0.266 4.605 4.340 -0.001 0.000 0.245 3109 Q C -1.065 174.907 176.000 -0.047 0.000 0.931 3109 Q CA -0.672 55.087 55.803 -0.075 0.000 0.730 3109 Q CB 0.896 29.599 28.738 -0.058 0.000 1.315 3109 Q HN 0.981 nan 8.270 nan 0.000 0.469 3110 R N 0.902 121.372 120.500 -0.049 0.000 4.902 3110 R HA 0.430 4.769 4.340 -0.001 0.000 0.201 3110 R C 0.627 176.909 176.300 -0.030 0.000 2.020 3110 R CA 0.567 56.647 56.100 -0.035 0.000 1.674 3110 R CB -0.637 29.642 30.300 -0.034 0.000 1.349 3110 R HN 0.880 nan 8.270 nan 0.000 0.813 3111 G N 0.778 109.562 108.800 -0.027 0.000 3.400 3111 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.209 3111 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.209 3111 G C 0.343 175.229 174.900 -0.023 0.000 1.411 3111 G CA 0.321 45.407 45.100 -0.022 0.000 0.917 3111 G HN 0.474 nan 8.290 nan 0.000 0.570 3112 D N 0.695 121.077 120.400 -0.029 0.000 3.161 3112 D HA 0.193 4.832 4.640 -0.001 0.000 0.287 3112 D C 1.684 177.958 176.300 -0.043 0.000 1.343 3112 D CA 1.006 54.989 54.000 -0.029 0.000 1.070 3112 D CB -0.549 40.236 40.800 -0.023 0.000 1.188 3112 D HN 0.797 nan 8.370 nan 0.000 0.409 3113 S N 1.076 116.745 115.700 -0.051 0.000 2.673 3113 S HA 0.070 4.540 4.470 -0.001 0.000 0.308 3113 S C 0.092 174.623 174.600 -0.115 0.000 1.246 3113 S CA 0.066 58.221 58.200 -0.075 0.000 1.077 3113 S CB 0.172 63.331 63.200 -0.069 0.000 0.814 3113 S HN 0.051 nan 8.310 nan 0.000 0.503 3114 T N 5.470 119.926 114.554 -0.163 0.000 3.331 3114 T HA 0.403 4.753 4.350 -0.001 0.000 0.381 3114 T C 0.465 174.828 174.700 -0.561 0.000 1.656 3114 T CA -0.634 61.301 62.100 -0.276 0.000 1.453 3114 T CB -0.689 68.076 68.868 -0.172 0.000 1.066 3114 T HN 0.734 nan 8.240 nan 0.000 0.655 3115 I N -1.268 118.997 120.570 -0.508 0.000 3.078 3115 I HA 0.670 4.840 4.170 -0.001 0.000 0.318 3115 I C -1.041 174.608 176.117 -0.780 0.000 1.016 3115 I CA -1.382 59.587 61.300 -0.552 0.000 1.130 3115 I CB 1.010 38.879 38.000 -0.217 0.000 1.397 3115 I HN 0.220 nan 8.210 nan 0.000 0.570 3116 Y N 2.934 123.236 120.300 0.005 0.000 2.609 3116 Y HA 0.474 5.024 4.550 -0.001 0.000 0.350 3116 Y C -0.518 175.386 175.900 0.006 0.000 1.050 3116 Y CA -0.831 57.272 58.100 0.005 0.000 1.290 3116 Y CB 0.644 39.107 38.460 0.005 0.000 1.094 3116 Y HN 0.252 nan 8.280 nan 0.000 0.583 3117 L N 2.779 124.057 121.223 0.092 0.000 2.454 3117 L HA 0.472 4.812 4.340 -0.001 0.000 0.256 3117 L C 0.485 177.396 176.870 0.070 0.000 1.136 3117 L CA -0.722 54.156 54.840 0.064 0.000 0.804 3117 L CB 0.795 42.872 42.059 0.029 0.000 1.181 3117 L HN 0.517 nan 8.230 nan 0.000 0.469 3118 L N 0.000 121.254 121.223 0.052 0.000 2.949 3118 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 3118 L CA 0.000 54.867 54.840 0.045 0.000 0.813 3118 L CB 0.000 42.082 42.059 0.038 0.000 0.961 3118 L HN 0.000 nan 8.230 nan 0.000 0.502