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 1okq_1_A DATA FIRST_RESID 2744 DATA SEQUENCE HGPcVAESEP ALLTGSKQFG LSRNSHIAIA FDDTKVKNRL TIELEVRTEA DATA SEQUENCE ESGLLFYMAR INHAAFATVQ LRNGFPYFSY DLGSGDTSTM IPTKINDGQW DATA SEQUENCE HKIKIVRVKQ EGILYVDDAS SQTISPKKAD ILAVVGILYV GGLPINYTTR DATA SEQUENCE RIGPVTYSLD GcVRNLHMEQ APVDLDQPTS SFHVGTcFAN AESGTYFDGT DATA SEQUENCE GFAKAVGGFK VGLDLLVEFE FRTTRPTGVL LGVSSQKMDG MGIEMIDEKL DATA SEQUENCE MFHVDNGAGR FTAIYDAEIP GHMcNGQWHK VTAKKIKNRL ELVVDGNQVD DATA SEQUENCE AQSPNSASTS ADTNDPVFVG GFPGGLNQFG LTTNIRFRGc IRSLKLTKGT DATA SEQUENCE GKPLEVNFAK ALELRGVQPV ScPT 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 2744 H HA 0.000 nan 4.556 nan 0.000 0.296 2744 H C 0.000 175.333 175.328 0.008 0.000 0.993 2744 H CA 0.000 56.052 56.048 0.006 0.000 1.023 2744 H CB 0.000 29.761 29.762 -0.001 0.000 1.292 2745 G N 2.694 111.481 108.800 -0.022 0.000 2.514 2745 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 2745 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 2745 G C 0.137 175.048 174.900 0.019 0.000 1.198 2745 G CA 1.331 46.418 45.100 -0.023 0.000 0.780 2745 G HN 0.417 nan 8.290 nan 0.000 0.565 2746 P HA 0.127 nan 4.420 nan 0.000 0.231 2746 P C 0.317 177.653 177.300 0.060 0.000 1.168 2746 P CA 0.108 63.235 63.100 0.045 0.000 0.779 2746 P CB -0.053 31.674 31.700 0.046 0.000 0.844 2747 c N 1.048 119.697 118.600 0.081 0.000 2.652 2747 c HA 0.235 4.806 4.570 0.001 0.000 0.412 2747 c C 1.305 175.437 174.090 0.070 0.000 1.294 2747 c CA -0.814 55.565 56.329 0.085 0.000 2.127 2747 c CB 0.399 42.977 42.510 0.114 0.000 2.691 2747 c HN 0.080 nan 8.230 nan 0.000 0.615 2748 V N 3.346 123.286 119.914 0.043 0.000 2.999 2748 V HA 0.352 4.473 4.120 0.001 0.000 0.307 2748 V C 0.943 177.054 176.094 0.028 0.000 1.084 2748 V CA 0.202 62.517 62.300 0.025 0.000 1.155 2748 V CB 0.773 32.596 31.823 0.000 0.000 0.975 2748 V HN 1.141 nan 8.190 nan 0.000 0.490 2749 A N 5.628 128.462 122.820 0.024 0.000 2.540 2749 A HA 0.341 4.662 4.320 0.001 0.000 0.239 2749 A C 0.294 177.879 177.584 0.001 0.000 1.061 2749 A CA 0.498 52.552 52.037 0.028 0.000 0.758 2749 A CB -0.121 18.890 19.000 0.017 0.000 0.991 2749 A HN 1.031 nan 8.150 nan 0.000 0.502 2750 E N 0.964 121.167 120.200 0.005 0.000 2.396 2750 E HA 0.814 5.165 4.350 0.001 0.000 0.251 2750 E C -0.607 175.976 176.600 -0.028 0.000 0.949 2750 E CA -0.313 56.062 56.400 -0.042 0.000 0.834 2750 E CB 1.633 31.274 29.700 -0.098 0.000 1.309 2750 E HN 0.999 nan 8.360 nan 0.000 0.405 2751 S N -0.376 115.297 115.700 -0.045 0.000 2.614 2751 S HA 0.208 4.679 4.470 0.001 0.000 0.280 2751 S C -1.147 173.428 174.600 -0.041 0.000 1.111 2751 S CA -1.089 57.092 58.200 -0.032 0.000 0.847 2751 S CB 0.932 64.114 63.200 -0.030 0.000 1.079 2751 S HN 0.591 nan 8.310 nan 0.000 0.452 2752 E N 2.892 123.080 120.200 -0.020 0.000 2.417 2752 E HA 0.341 4.692 4.350 0.001 0.000 0.261 2752 E C -1.904 174.673 176.600 -0.039 0.000 1.000 2752 E CA -0.964 55.430 56.400 -0.011 0.000 0.919 2752 E CB 0.297 30.003 29.700 0.011 0.000 0.955 2752 E HN 0.495 nan 8.360 nan 0.000 0.455 2753 P HA 0.033 nan 4.420 nan 0.000 0.265 2753 P C -1.169 176.145 177.300 0.024 0.000 1.193 2753 P CA -0.225 62.783 63.100 -0.153 0.000 0.765 2753 P CB 0.901 32.311 31.700 -0.484 0.000 0.823 2754 A N 4.713 127.549 122.820 0.027 0.000 2.404 2754 A HA 0.350 4.671 4.320 0.001 0.000 0.273 2754 A C 0.433 178.106 177.584 0.149 0.000 1.144 2754 A CA -0.475 51.605 52.037 0.072 0.000 0.806 2754 A CB -0.426 18.597 19.000 0.038 0.000 1.080 2754 A HN 0.567 nan 8.150 nan 0.000 0.509 2755 L N 1.910 123.195 121.223 0.103 0.000 2.399 2755 L HA 0.378 4.719 4.340 0.001 0.000 0.265 2755 L C -0.192 176.701 176.870 0.037 0.000 1.089 2755 L CA -0.843 54.031 54.840 0.056 0.000 0.802 2755 L CB 1.237 43.288 42.059 -0.013 0.000 1.180 2755 L HN 0.636 nan 8.230 nan 0.000 0.454 2756 L N 1.494 122.732 121.223 0.025 0.000 2.262 2756 L HA 0.305 4.646 4.340 0.001 0.000 0.288 2756 L C 0.093 176.964 176.870 0.000 0.000 1.035 2756 L CA 0.187 55.048 54.840 0.036 0.000 0.820 2756 L CB 1.150 43.267 42.059 0.097 0.000 1.204 2756 L HN 0.509 nan 8.230 nan 0.000 0.424 2757 T N 4.261 118.809 114.554 -0.010 0.000 2.934 2757 T HA 0.358 4.709 4.350 0.001 0.000 0.306 2757 T C 1.214 175.897 174.700 -0.029 0.000 1.042 2757 T CA 0.918 63.004 62.100 -0.023 0.000 1.145 2757 T CB 0.563 69.417 68.868 -0.023 0.000 0.982 2757 T HN 1.028 nan 8.240 nan 0.000 0.544 2758 G N 2.683 111.463 108.800 -0.032 0.000 2.284 2758 G HA2 -0.330 3.631 3.960 0.001 0.000 0.261 2758 G HA3 -0.330 3.631 3.960 0.001 0.000 0.261 2758 G C 0.524 175.410 174.900 -0.023 0.000 0.997 2758 G CA 0.481 45.562 45.100 -0.032 0.000 0.621 2758 G HN 1.259 nan 8.290 nan 0.000 0.534 2759 S N 0.128 115.823 115.700 -0.008 0.000 2.584 2759 S HA 0.626 5.097 4.470 0.001 0.000 0.270 2759 S C -0.096 174.491 174.600 -0.023 0.000 1.346 2759 S CA 0.121 58.344 58.200 0.038 0.000 1.018 2759 S CB 1.674 64.937 63.200 0.105 0.000 0.899 2759 S HN 0.329 nan 8.310 nan 0.000 0.542 2760 K N 1.789 122.182 120.400 -0.011 0.000 2.507 2760 K HA 0.340 4.661 4.320 0.001 0.000 0.252 2760 K C -1.024 175.402 176.600 -0.290 0.000 0.943 2760 K CA -0.457 55.706 56.287 -0.208 0.000 0.808 2760 K CB 1.730 34.113 32.500 -0.194 0.000 1.142 2760 K HN 0.773 nan 8.250 nan 0.000 0.426 2761 Q N 3.209 122.773 119.800 -0.393 0.000 2.331 2761 Q HA 0.438 4.779 4.340 0.001 0.000 0.257 2761 Q C -1.349 174.411 176.000 -0.398 0.000 0.957 2761 Q CA -0.023 55.612 55.803 -0.280 0.000 0.923 2761 Q CB 0.339 28.936 28.738 -0.236 0.000 1.212 2761 Q HN 0.369 nan 8.270 nan 0.000 0.443 2762 F N 1.193 121.162 119.950 0.032 0.000 2.572 2762 F HA 0.689 5.217 4.527 0.002 0.000 0.342 2762 F C 1.535 177.376 175.800 0.069 0.000 1.064 2762 F CA -0.171 57.868 58.000 0.064 0.000 1.008 2762 F CB 2.033 41.089 39.000 0.092 0.000 1.303 2762 F HN 0.653 nan 8.300 nan 0.000 0.492 2763 G N -0.022 108.966 108.800 0.314 0.000 2.175 2763 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 2763 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 2763 G C 0.875 175.872 174.900 0.163 0.000 0.982 2763 G CA 0.276 45.506 45.100 0.216 0.000 0.641 2763 G HN 0.565 nan 8.290 nan 0.000 0.527 2764 L N 0.501 121.807 121.223 0.139 0.000 2.079 2764 L HA 0.127 4.468 4.340 0.001 0.000 0.210 2764 L C 1.785 178.747 176.870 0.153 0.000 1.081 2764 L CA 1.765 56.664 54.840 0.099 0.000 0.752 2764 L CB -0.488 41.594 42.059 0.038 0.000 0.896 2764 L HN 0.622 nan 8.230 nan 0.000 0.433 2765 S N -1.664 114.160 115.700 0.207 0.000 2.627 2765 S HA 0.300 4.771 4.470 0.001 0.000 0.283 2765 S C 0.693 175.416 174.600 0.205 0.000 1.127 2765 S CA -0.893 57.439 58.200 0.219 0.000 0.863 2765 S CB 2.157 65.516 63.200 0.266 0.000 1.121 2765 S HN 0.127 nan 8.310 nan 0.000 0.479 2766 R N 0.888 121.490 120.500 0.171 0.000 2.159 2766 R HA -0.012 4.329 4.340 0.001 0.000 0.237 2766 R C 0.187 176.600 176.300 0.190 0.000 1.131 2766 R CA 1.498 57.694 56.100 0.159 0.000 0.982 2766 R CB -0.357 30.005 30.300 0.103 0.000 0.868 2766 R HN 0.685 nan 8.270 nan 0.000 0.453 2767 N N 0.413 119.249 118.700 0.227 0.000 2.275 2767 N HA 0.058 4.799 4.740 0.001 0.000 0.236 2767 N C -0.842 174.967 175.510 0.499 0.000 1.154 2767 N CA 0.013 53.217 53.050 0.256 0.000 0.866 2767 N CB 1.117 39.687 38.487 0.139 0.000 1.093 2767 N HN -0.016 nan 8.380 nan 0.000 0.515 2768 S N 2.011 117.974 115.700 0.439 0.000 2.546 2768 S HA 0.044 4.515 4.470 0.001 0.000 0.290 2768 S C 0.133 175.097 174.600 0.607 0.000 1.290 2768 S CA 0.173 58.659 58.200 0.477 0.000 1.069 2768 S CB 0.135 63.559 63.200 0.373 0.000 0.846 2768 S HN 0.501 nan 8.310 nan 0.000 0.495 2769 H N 0.225 119.583 119.070 0.481 0.000 2.904 2769 H HA 0.508 5.065 4.556 0.001 0.000 0.290 2769 H C -1.901 173.711 175.328 0.473 0.000 1.437 2769 H CA -1.011 55.320 56.048 0.472 0.000 1.147 2769 H CB 0.262 30.190 29.762 0.277 0.000 1.824 2769 H HN 0.499 nan 8.280 nan 0.000 0.505 2770 I N 0.949 121.711 120.570 0.321 0.000 2.582 2770 I HA 0.611 4.782 4.170 0.001 0.000 0.292 2770 I C -0.525 175.709 176.117 0.195 0.000 1.066 2770 I CA -0.859 60.546 61.300 0.175 0.000 1.053 2770 I CB 1.962 40.141 38.000 0.297 0.000 1.241 2770 I HN 0.815 nan 8.210 nan 0.000 0.421 2771 A N 7.449 130.311 122.820 0.071 0.000 2.355 2771 A HA 0.894 5.215 4.320 0.001 0.000 0.317 2771 A C -0.964 176.582 177.584 -0.063 0.000 1.094 2771 A CA -0.420 51.567 52.037 -0.083 0.000 0.764 2771 A CB 1.030 19.961 19.000 -0.115 0.000 1.230 2771 A HN 0.626 nan 8.150 nan 0.000 0.448 2772 I N 2.007 122.528 120.570 -0.082 0.000 2.500 2772 I HA 0.478 4.649 4.170 0.001 0.000 0.286 2772 I C 0.471 176.622 176.117 0.057 0.000 1.063 2772 I CA -0.497 60.803 61.300 -0.001 0.000 1.062 2772 I CB 1.971 39.981 38.000 0.017 0.000 1.223 2772 I HN 0.743 nan 8.210 nan 0.000 0.435 2773 A N 6.682 129.528 122.820 0.044 0.000 2.371 2773 A HA 0.804 5.125 4.320 0.001 0.000 0.257 2773 A C -0.714 176.964 177.584 0.157 0.000 1.089 2773 A CA 0.084 52.146 52.037 0.041 0.000 0.794 2773 A CB 0.279 19.266 19.000 -0.022 0.000 1.029 2773 A HN 0.676 nan 8.150 nan 0.000 0.488 2774 F N -0.704 119.225 119.950 -0.035 0.000 2.686 2774 F HA 0.580 5.108 4.527 0.001 0.000 0.311 2774 F C -0.827 174.964 175.800 -0.014 0.000 1.128 2774 F CA -1.461 56.523 58.000 -0.026 0.000 0.946 2774 F CB 1.088 40.068 39.000 -0.035 0.000 1.336 2774 F HN 0.412 nan 8.300 nan 0.000 0.457 2775 D N 2.182 122.649 120.400 0.113 0.000 2.348 2775 D HA 0.076 4.717 4.640 0.001 0.000 0.259 2775 D C 1.017 177.333 176.300 0.027 0.000 1.296 2775 D CA 0.177 54.180 54.000 0.005 0.000 0.931 2775 D CB 0.379 41.214 40.800 0.057 0.000 1.067 2775 D HN 0.603 nan 8.370 nan 0.000 0.503 2776 D N 1.369 121.624 120.400 -0.242 0.000 2.351 2776 D HA -0.194 4.446 4.640 0.001 0.000 0.216 2776 D C 1.184 177.506 176.300 0.036 0.000 0.968 2776 D CA 0.843 54.752 54.000 -0.150 0.000 0.899 2776 D CB -0.327 40.317 40.800 -0.259 0.000 0.907 2776 D HN 0.470 nan 8.370 nan 0.000 0.514 2777 T N -2.181 112.387 114.554 0.024 0.000 3.148 2777 T HA 0.087 4.438 4.350 0.001 0.000 0.253 2777 T C 1.582 176.318 174.700 0.060 0.000 1.134 2777 T CA 0.052 62.173 62.100 0.036 0.000 1.051 2777 T CB 0.059 68.936 68.868 0.015 0.000 0.959 2777 T HN 0.101 nan 8.240 nan 0.000 0.525 2778 K N 0.953 121.412 120.400 0.097 0.000 2.361 2778 K HA 0.214 4.535 4.320 0.001 0.000 0.194 2778 K C 1.791 178.445 176.600 0.089 0.000 1.032 2778 K CA 0.564 56.904 56.287 0.089 0.000 1.048 2778 K CB 0.609 33.167 32.500 0.096 0.000 0.842 2778 K HN 0.431 nan 8.250 nan 0.000 0.526 2779 V N -1.373 118.621 119.914 0.133 0.000 3.528 2779 V HA 0.059 4.179 4.120 0.001 0.000 0.294 2779 V C 1.623 177.772 176.094 0.091 0.000 1.404 2779 V CA -0.057 62.306 62.300 0.103 0.000 1.065 2779 V CB -0.053 31.852 31.823 0.137 0.000 0.904 2779 V HN 0.126 nan 8.190 nan 0.000 0.435 2780 K N 0.645 121.098 120.400 0.089 0.000 2.360 2780 K HA -0.147 4.174 4.320 0.001 0.000 0.201 2780 K C 1.313 177.945 176.600 0.055 0.000 1.046 2780 K CA 1.853 58.183 56.287 0.071 0.000 0.940 2780 K CB -0.359 32.175 32.500 0.057 0.000 0.748 2780 K HN 0.511 nan 8.250 nan 0.000 0.465 2781 N N 0.328 119.055 118.700 0.045 0.000 2.606 2781 N HA 0.088 4.829 4.740 0.001 0.000 0.208 2781 N C -0.130 175.397 175.510 0.028 0.000 1.046 2781 N CA 0.305 53.376 53.050 0.035 0.000 0.891 2781 N CB 0.679 39.182 38.487 0.028 0.000 1.344 2781 N HN 0.088 nan 8.380 nan 0.000 0.437 2782 R N 0.682 121.195 120.500 0.021 0.000 2.532 2782 R HA 0.396 4.736 4.340 0.001 0.000 0.297 2782 R C -1.411 174.884 176.300 -0.008 0.000 0.984 2782 R CA -0.713 55.390 56.100 0.006 0.000 0.884 2782 R CB 2.349 32.650 30.300 0.002 0.000 1.182 2782 R HN -0.039 nan 8.270 nan 0.000 0.442 2783 L N 1.644 122.854 121.223 -0.023 0.000 2.341 2783 L HA 0.578 4.919 4.340 0.001 0.000 0.278 2783 L C -1.032 175.790 176.870 -0.079 0.000 1.005 2783 L CA 0.109 54.916 54.840 -0.055 0.000 0.818 2783 L CB 2.258 44.298 42.059 -0.032 0.000 1.259 2783 L HN 0.579 nan 8.230 nan 0.000 0.418 2784 T N 6.701 121.185 114.554 -0.116 0.000 3.187 2784 T HA 0.579 4.930 4.350 0.001 0.000 0.328 2784 T C -0.528 174.076 174.700 -0.160 0.000 0.951 2784 T CA -0.136 61.895 62.100 -0.114 0.000 1.049 2784 T CB 0.335 69.156 68.868 -0.078 0.000 1.015 2784 T HN 0.436 nan 8.240 nan 0.000 0.461 2785 I N 3.163 123.616 120.570 -0.196 0.000 2.509 2785 I HA 0.595 4.765 4.170 0.001 0.000 0.293 2785 I C -0.186 175.847 176.117 -0.141 0.000 1.020 2785 I CA -0.932 60.220 61.300 -0.246 0.000 1.088 2785 I CB 2.336 40.026 38.000 -0.517 0.000 1.267 2785 I HN 0.651 nan 8.210 nan 0.000 0.430 2786 E N 6.506 126.650 120.200 -0.094 0.000 2.383 2786 E HA 0.818 5.169 4.350 0.001 0.000 0.275 2786 E C -1.654 174.928 176.600 -0.029 0.000 0.918 2786 E CA -0.893 55.491 56.400 -0.026 0.000 0.764 2786 E CB 2.776 32.474 29.700 -0.003 0.000 1.252 2786 E HN 0.458 nan 8.360 nan 0.000 0.449 2787 L N -2.176 119.059 121.223 0.021 0.000 2.869 2787 L HA 0.602 4.942 4.340 0.001 0.000 0.265 2787 L C -1.377 175.554 176.870 0.101 0.000 1.011 2787 L CA -0.869 53.985 54.840 0.023 0.000 0.913 2787 L CB 1.786 43.870 42.059 0.043 0.000 1.490 2787 L HN 0.626 nan 8.230 nan 0.000 0.410 2788 E N 0.293 120.572 120.200 0.131 0.000 2.191 2788 E HA 0.739 5.090 4.350 0.001 0.000 0.274 2788 E C -1.501 175.371 176.600 0.454 0.000 0.948 2788 E CA -0.956 55.601 56.400 0.261 0.000 0.802 2788 E CB 2.789 32.562 29.700 0.122 0.000 1.137 2788 E HN 0.577 nan 8.360 nan 0.000 0.397 2789 V N 3.383 123.584 119.914 0.478 0.000 2.876 2789 V HA 0.571 4.692 4.120 0.001 0.000 0.312 2789 V C -1.377 174.770 176.094 0.089 0.000 1.085 2789 V CA -0.637 61.854 62.300 0.318 0.000 0.945 2789 V CB 1.989 33.935 31.823 0.204 0.000 1.017 2789 V HN 0.621 nan 8.190 nan 0.000 0.428 2790 R N 3.522 123.853 120.500 -0.280 0.000 2.538 2790 R HA 0.724 5.065 4.340 0.001 0.000 0.292 2790 R C -1.362 174.788 176.300 -0.250 0.000 1.008 2790 R CA -0.018 55.757 56.100 -0.541 0.000 0.896 2790 R CB 1.931 31.355 30.300 -1.460 0.000 1.187 2790 R HN 0.919 nan 8.270 nan 0.000 0.440 2791 T N 1.354 115.835 114.554 -0.123 0.000 2.775 2791 T HA 0.249 4.599 4.350 0.001 0.000 0.320 2791 T C -0.834 173.854 174.700 -0.020 0.000 1.597 2791 T CA -0.418 61.652 62.100 -0.049 0.000 1.022 2791 T CB 1.575 70.443 68.868 -0.000 0.000 1.485 2791 T HN 0.709 nan 8.240 nan 0.000 0.494 2792 E N 0.480 120.676 120.200 -0.007 0.000 2.660 2792 E HA 0.400 4.751 4.350 0.001 0.000 0.216 2792 E C 0.290 176.892 176.600 0.002 0.000 0.986 2792 E CA -0.396 56.002 56.400 -0.003 0.000 1.037 2792 E CB 1.173 30.873 29.700 -0.000 0.000 1.041 2792 E HN 0.682 nan 8.360 nan 0.000 0.480 2793 A N 1.119 123.947 122.820 0.014 0.000 2.304 2793 A HA 0.165 4.486 4.320 0.001 0.000 0.271 2793 A C 1.046 178.634 177.584 0.006 0.000 1.091 2793 A CA -0.268 51.785 52.037 0.026 0.000 0.812 2793 A CB 0.641 19.677 19.000 0.059 0.000 1.056 2793 A HN -0.016 nan 8.150 nan 0.000 0.489 2794 E N 0.079 120.284 120.200 0.009 0.000 2.170 2794 E HA 0.083 4.434 4.350 0.001 0.000 0.191 2794 E C 0.052 176.653 176.600 0.001 0.000 0.981 2794 E CA 0.884 57.272 56.400 -0.021 0.000 0.830 2794 E CB 0.274 29.960 29.700 -0.024 0.000 0.775 2794 E HN 0.550 nan 8.360 nan 0.000 0.470 2795 S N -1.831 113.909 115.700 0.066 0.000 2.671 2795 S HA 0.760 5.231 4.470 0.001 0.000 0.277 2795 S C -0.437 174.202 174.600 0.064 0.000 1.165 2795 S CA -0.247 57.992 58.200 0.063 0.000 0.822 2795 S CB 2.461 65.733 63.200 0.120 0.000 1.150 2795 S HN 0.266 nan 8.310 nan 0.000 0.479 2796 G N 0.290 109.016 108.800 -0.123 0.000 2.329 2796 G HA2 0.346 4.307 3.960 0.001 0.000 0.308 2796 G HA3 0.346 4.307 3.960 0.001 0.000 0.308 2796 G C -2.152 172.621 174.900 -0.211 0.000 1.587 2796 G CA -0.976 44.010 45.100 -0.191 0.000 0.978 2796 G HN 0.674 nan 8.290 nan 0.000 0.685 2797 L N 0.905 121.985 121.223 -0.239 0.000 2.326 2797 L HA 0.693 5.034 4.340 0.001 0.000 0.278 2797 L C 0.939 177.729 176.870 -0.133 0.000 1.092 2797 L CA -0.625 54.100 54.840 -0.192 0.000 0.810 2797 L CB 1.018 42.949 42.059 -0.212 0.000 1.153 2797 L HN 0.631 nan 8.230 nan 0.000 0.439 2798 L N 4.052 125.211 121.223 -0.106 0.000 2.349 2798 L HA 0.319 4.660 4.340 0.001 0.000 0.200 2798 L C -0.512 176.407 176.870 0.081 0.000 1.064 2798 L CA -0.011 54.801 54.840 -0.047 0.000 0.821 2798 L CB 0.341 42.405 42.059 0.008 0.000 1.027 2798 L HN 0.679 nan 8.230 nan 0.000 0.476 2799 F N -2.187 117.797 119.950 0.057 0.000 2.678 2799 F HA 0.555 5.082 4.527 0.001 0.000 0.308 2799 F C -1.527 174.437 175.800 0.274 0.000 1.118 2799 F CA -1.568 56.506 58.000 0.123 0.000 0.959 2799 F CB 0.961 40.006 39.000 0.075 0.000 1.305 2799 F HN -0.111 nan 8.300 nan 0.000 0.443 2800 Y N 4.525 125.124 120.300 0.498 0.000 2.390 2800 Y HA 0.647 5.198 4.550 0.001 0.000 0.324 2800 Y C -1.596 174.619 175.900 0.526 0.000 1.151 2800 Y CA -1.266 57.076 58.100 0.403 0.000 1.053 2800 Y CB 1.911 40.474 38.460 0.173 0.000 1.277 2800 Y HN 0.992 nan 8.280 nan 0.000 0.432 2801 M N 4.730 124.344 119.600 0.022 0.000 2.393 2801 M HA 1.051 5.532 4.480 0.001 0.000 0.299 2801 M C -1.654 174.572 176.300 -0.123 0.000 1.103 2801 M CA -0.498 54.879 55.300 0.129 0.000 0.910 2801 M CB 2.463 35.252 32.600 0.315 0.000 1.659 2801 M HN 0.748 nan 8.290 nan 0.000 0.445 2802 A N 2.093 124.954 122.820 0.067 0.000 2.581 2802 A HA 0.849 5.169 4.320 0.001 0.000 0.290 2802 A C -1.129 176.573 177.584 0.196 0.000 1.119 2802 A CA -1.215 50.913 52.037 0.151 0.000 0.670 2802 A CB 1.504 20.648 19.000 0.241 0.000 1.280 2802 A HN 1.058 nan 8.150 nan 0.000 0.425 2803 R N -0.082 120.508 120.500 0.151 0.000 2.531 2803 R HA 0.580 4.921 4.340 0.001 0.000 0.260 2803 R C 0.856 177.125 176.300 -0.051 0.000 1.144 2803 R CA -0.129 56.008 56.100 0.061 0.000 1.171 2803 R CB 0.303 30.633 30.300 0.050 0.000 1.199 2803 R HN 0.762 nan 8.270 nan 0.000 0.594 2804 I N 0.651 121.182 120.570 -0.065 0.000 2.248 2804 I HA -0.316 3.855 4.170 0.001 0.000 0.248 2804 I C 1.033 176.973 176.117 -0.295 0.000 1.107 2804 I CA 2.017 63.238 61.300 -0.131 0.000 1.373 2804 I CB -0.160 37.803 38.000 -0.061 0.000 1.055 2804 I HN 0.784 nan 8.210 nan 0.000 0.418 2805 N N -1.090 117.478 118.700 -0.219 0.000 2.214 2805 N HA -0.096 4.645 4.740 0.001 0.000 0.214 2805 N C 0.287 175.734 175.510 -0.105 0.000 1.132 2805 N CA -0.010 52.927 53.050 -0.189 0.000 0.856 2805 N CB -0.243 38.213 38.487 -0.051 0.000 1.020 2805 N HN 0.440 nan 8.380 nan 0.000 0.509 2806 H N -1.003 118.126 119.070 0.099 0.000 3.179 2806 H HA -0.189 4.368 4.556 0.001 0.000 0.250 2806 H C 1.443 176.890 175.328 0.198 0.000 1.142 2806 H CA 0.802 56.947 56.048 0.161 0.000 1.165 2806 H CB -1.813 28.013 29.762 0.106 0.000 1.253 2806 H HN 0.526 nan 8.280 nan 0.000 0.325 2807 A N 0.383 123.320 122.820 0.195 0.000 1.940 2807 A HA 0.224 4.545 4.320 0.001 0.000 0.219 2807 A C 1.615 179.312 177.584 0.188 0.000 1.176 2807 A CA 1.653 53.786 52.037 0.161 0.000 0.631 2807 A CB 0.021 19.072 19.000 0.085 0.000 0.814 2807 A HN 0.717 nan 8.150 nan 0.000 0.446 2808 A N -1.442 121.495 122.820 0.196 0.000 2.380 2808 A HA 0.786 5.107 4.320 0.001 0.000 0.315 2808 A C -0.522 177.234 177.584 0.287 0.000 1.101 2808 A CA -0.287 51.837 52.037 0.145 0.000 0.771 2808 A CB 0.882 19.933 19.000 0.086 0.000 1.287 2808 A HN 1.392 nan 8.150 nan 0.000 0.436 2809 F N -1.759 118.251 119.950 0.099 0.000 2.842 2809 F HA 0.793 5.321 4.527 0.002 0.000 0.319 2809 F C -0.787 175.094 175.800 0.134 0.000 1.159 2809 F CA -0.620 57.410 58.000 0.051 0.000 0.902 2809 F CB 0.908 39.918 39.000 0.017 0.000 1.311 2809 F HN 1.210 nan 8.300 nan 0.000 0.453 2810 A N 1.157 124.237 122.820 0.434 0.000 2.459 2810 A HA 0.861 5.181 4.320 0.001 0.000 0.296 2810 A C -1.236 176.690 177.584 0.571 0.000 1.039 2810 A CA -0.399 51.932 52.037 0.491 0.000 0.698 2810 A CB 1.464 20.726 19.000 0.435 0.000 1.261 2810 A HN 1.131 nan 8.150 nan 0.000 0.405 2811 T N 0.191 115.067 114.554 0.537 0.000 2.853 2811 T HA 0.650 5.000 4.350 0.001 0.000 0.311 2811 T C -1.274 173.416 174.700 -0.018 0.000 1.307 2811 T CA -0.610 61.575 62.100 0.141 0.000 1.019 2811 T CB 1.788 70.849 68.868 0.322 0.000 1.264 2811 T HN 0.875 nan 8.240 nan 0.000 0.497 2812 V N 1.763 121.355 119.914 -0.536 0.000 2.623 2812 V HA 0.588 4.709 4.120 0.001 0.000 0.304 2812 V C -1.006 174.985 176.094 -0.172 0.000 1.054 2812 V CA -0.600 61.542 62.300 -0.263 0.000 0.882 2812 V CB 1.933 33.512 31.823 -0.407 0.000 1.002 2812 V HN 0.900 nan 8.190 nan 0.000 0.424 2813 Q N 3.012 122.816 119.800 0.006 0.000 2.495 2813 Q HA 0.681 5.022 4.340 0.001 0.000 0.287 2813 Q C -1.658 174.397 176.000 0.092 0.000 1.078 2813 Q CA -0.950 54.846 55.803 -0.011 0.000 0.793 2813 Q CB 3.224 31.925 28.738 -0.062 0.000 1.459 2813 Q HN 0.548 nan 8.270 nan 0.000 0.422 2814 L N 1.252 122.500 121.223 0.042 0.000 2.313 2814 L HA 0.555 4.896 4.340 0.001 0.000 0.283 2814 L C -1.394 175.514 176.870 0.064 0.000 1.013 2814 L CA 0.094 54.991 54.840 0.094 0.000 0.816 2814 L CB 1.085 43.168 42.059 0.039 0.000 1.236 2814 L HN 0.511 nan 8.230 nan 0.000 0.419 2815 R N 4.258 124.856 120.500 0.163 0.000 2.575 2815 R HA 0.441 4.782 4.340 0.001 0.000 0.293 2815 R C -0.301 176.028 176.300 0.048 0.000 0.983 2815 R CA -0.863 55.272 56.100 0.057 0.000 0.887 2815 R CB 1.347 31.584 30.300 -0.105 0.000 1.184 2815 R HN 0.676 nan 8.270 nan 0.000 0.445 2816 N N 1.468 120.123 118.700 -0.075 0.000 2.710 2816 N HA -0.243 4.498 4.740 0.001 0.000 0.249 2816 N C 0.688 175.857 175.510 -0.568 0.000 1.059 2816 N CA 1.552 54.451 53.050 -0.252 0.000 0.720 2816 N CB -0.747 37.611 38.487 -0.214 0.000 0.983 2816 N HN 1.169 nan 8.380 nan 0.000 0.544 2817 G N -1.607 107.006 108.800 -0.312 0.000 2.184 2817 G HA2 -0.344 3.617 3.960 0.001 0.000 0.264 2817 G HA3 -0.344 3.617 3.960 0.001 0.000 0.264 2817 G C 0.064 174.841 174.900 -0.205 0.000 0.975 2817 G CA 0.572 45.495 45.100 -0.295 0.000 0.642 2817 G HN 0.491 nan 8.290 nan 0.000 0.536 2818 F N 1.966 121.965 119.950 0.081 0.000 2.422 2818 F HA 0.512 5.040 4.527 0.002 0.000 0.333 2818 F C -1.725 174.114 175.800 0.065 0.000 1.095 2818 F CA -2.654 55.364 58.000 0.028 0.000 1.038 2818 F CB 2.095 41.092 39.000 -0.004 0.000 1.156 2818 F HN -0.156 nan 8.300 nan 0.000 0.483 2819 P HA 0.150 nan 4.420 nan 0.000 0.291 2819 P C -1.552 175.766 177.300 0.030 0.000 1.340 2819 P CA -0.042 63.127 63.100 0.115 0.000 0.799 2819 P CB 0.326 32.066 31.700 0.066 0.000 0.917 2820 Y N 3.367 123.738 120.300 0.119 0.000 2.360 2820 Y HA 0.492 5.043 4.550 0.001 0.000 0.337 2820 Y C 0.062 176.080 175.900 0.196 0.000 1.039 2820 Y CA -0.709 57.470 58.100 0.131 0.000 1.109 2820 Y CB 1.659 40.174 38.460 0.092 0.000 1.201 2820 Y HN 0.272 nan 8.280 nan 0.000 0.458 2821 F N 2.948 123.007 119.950 0.182 0.000 2.499 2821 F HA 0.685 5.213 4.527 0.001 0.000 0.333 2821 F C -0.988 174.958 175.800 0.244 0.000 1.138 2821 F CA -0.991 57.102 58.000 0.155 0.000 0.945 2821 F CB 1.003 40.072 39.000 0.116 0.000 1.181 2821 F HN 0.338 nan 8.300 nan 0.000 0.435 2822 S N 5.583 121.304 115.700 0.036 0.000 2.638 2822 S HA 0.871 5.342 4.470 0.001 0.000 0.302 2822 S C -1.595 173.027 174.600 0.036 0.000 1.096 2822 S CA -0.596 57.592 58.200 -0.020 0.000 0.953 2822 S CB 2.153 65.512 63.200 0.264 0.000 1.107 2822 S HN 0.705 nan 8.310 nan 0.000 0.503 2823 Y N -1.173 118.848 120.300 -0.465 0.000 2.638 2823 Y HA 0.715 5.266 4.550 0.001 0.000 0.334 2823 Y C -2.108 173.228 175.900 -0.940 0.000 1.182 2823 Y CA -1.000 56.651 58.100 -0.748 0.000 1.102 2823 Y CB 1.012 39.240 38.460 -0.386 0.000 1.343 2823 Y HN 0.530 nan 8.280 nan 0.000 0.463 2824 D N 1.645 121.401 120.400 -1.075 0.000 2.857 2824 D HA 0.462 5.103 4.640 0.001 0.000 0.227 2824 D C -0.635 175.507 176.300 -0.263 0.000 1.192 2824 D CA -0.561 53.034 54.000 -0.674 0.000 0.857 2824 D CB 2.640 43.055 40.800 -0.642 0.000 1.645 2824 D HN 0.789 nan 8.370 nan 0.000 0.482 2825 L N 1.416 122.560 121.223 -0.131 0.000 2.672 2825 L HA 0.421 4.762 4.340 0.001 0.000 0.236 2825 L C 1.595 178.460 176.870 -0.009 0.000 1.092 2825 L CA 0.458 55.285 54.840 -0.021 0.000 0.887 2825 L CB 0.626 42.696 42.059 0.018 0.000 1.168 2825 L HN 0.694 nan 8.230 nan 0.000 0.502 2826 G N -0.595 108.189 108.800 -0.028 0.000 3.033 2826 G HA2 -0.212 3.749 3.960 0.001 0.000 0.208 2826 G HA3 -0.212 3.749 3.960 0.001 0.000 0.208 2826 G C 0.768 175.661 174.900 -0.012 0.000 1.006 2826 G CA 0.257 45.356 45.100 -0.002 0.000 0.808 2826 G HN 0.200 nan 8.290 nan 0.000 0.499 2827 S N 0.223 115.904 115.700 -0.032 0.000 2.575 2827 S HA 0.604 5.075 4.470 0.001 0.000 0.237 2827 S C 0.846 175.415 174.600 -0.052 0.000 0.975 2827 S CA 0.743 58.923 58.200 -0.032 0.000 0.960 2827 S CB 1.032 64.215 63.200 -0.028 0.000 0.822 2827 S HN 2.202 nan 8.310 nan 0.000 0.472 2828 G N 1.876 110.633 108.800 -0.072 0.000 2.453 2828 G HA2 0.249 4.210 3.960 0.001 0.000 0.665 2828 G HA3 0.249 4.210 3.960 0.001 0.000 0.665 2828 G C -1.410 173.380 174.900 -0.183 0.000 1.411 2828 G CA -0.453 44.592 45.100 -0.092 0.000 0.889 2828 G HN 0.356 nan 8.290 nan 0.000 0.651 2829 D N -0.770 119.519 120.400 -0.185 0.000 2.478 2829 D HA 0.859 5.500 4.640 0.001 0.000 0.263 2829 D C 0.364 176.466 176.300 -0.330 0.000 1.153 2829 D CA 0.021 53.824 54.000 -0.329 0.000 1.038 2829 D CB 1.918 42.608 40.800 -0.183 0.000 1.120 2829 D HN 0.966 nan 8.370 nan 0.000 0.564 2830 T N -2.140 112.147 114.554 -0.445 0.000 2.700 2830 T HA 0.552 4.902 4.350 0.001 0.000 0.307 2830 T C -1.973 172.542 174.700 -0.309 0.000 1.580 2830 T CA -0.237 61.655 62.100 -0.348 0.000 0.992 2830 T CB 0.424 69.049 68.868 -0.406 0.000 1.577 2830 T HN 0.947 nan 8.240 nan 0.000 0.496 2831 S N 0.288 115.895 115.700 -0.155 0.000 2.578 2831 S HA 0.754 5.225 4.470 0.001 0.000 0.272 2831 S C -1.154 173.454 174.600 0.014 0.000 1.145 2831 S CA -0.795 57.366 58.200 -0.065 0.000 0.835 2831 S CB 1.427 64.662 63.200 0.058 0.000 1.104 2831 S HN 1.061 nan 8.310 nan 0.000 0.458 2832 T N 0.232 114.821 114.554 0.059 0.000 2.907 2832 T HA 0.851 5.202 4.350 0.001 0.000 0.292 2832 T C -0.501 174.197 174.700 -0.003 0.000 1.043 2832 T CA -0.854 61.273 62.100 0.044 0.000 1.003 2832 T CB 1.332 70.250 68.868 0.084 0.000 1.084 2832 T HN 1.327 nan 8.240 nan 0.000 0.483 2833 M N 0.136 119.639 119.600 -0.162 0.000 2.569 2833 M HA 0.728 5.209 4.480 0.001 0.000 0.279 2833 M C -2.160 173.955 176.300 -0.308 0.000 1.253 2833 M CA -0.912 54.154 55.300 -0.391 0.000 0.867 2833 M CB 1.155 33.101 32.600 -1.092 0.000 1.727 2833 M HN 0.556 nan 8.290 nan 0.000 0.467 2834 I N 3.073 123.470 120.570 -0.288 0.000 2.382 2834 I HA 0.418 4.588 4.170 0.001 0.000 0.286 2834 I C -1.891 174.023 176.117 -0.338 0.000 1.002 2834 I CA -1.670 59.494 61.300 -0.228 0.000 1.135 2834 I CB 2.302 40.235 38.000 -0.112 0.000 1.288 2834 I HN 0.620 nan 8.210 nan 0.000 0.448 2835 P HA 0.011 nan 4.420 nan 0.000 0.262 2835 P C -0.457 176.616 177.300 -0.377 0.000 1.647 2835 P CA 0.258 62.912 63.100 -0.744 0.000 0.865 2835 P CB -0.491 30.902 31.700 -0.510 0.000 1.834 2836 T N 0.444 114.936 114.554 -0.104 0.000 2.879 2836 T HA 0.238 4.589 4.350 0.001 0.000 0.290 2836 T C -0.037 174.825 174.700 0.271 0.000 0.993 2836 T CA -0.686 61.475 62.100 0.101 0.000 0.975 2836 T CB 1.591 70.472 68.868 0.022 0.000 0.981 2836 T HN 0.007 nan 8.240 nan 0.000 0.439 2837 K N 2.743 123.301 120.400 0.263 0.000 2.379 2837 K HA 0.293 4.614 4.320 0.001 0.000 0.284 2837 K C 0.987 177.555 176.600 -0.053 0.000 1.044 2837 K CA -0.129 56.217 56.287 0.098 0.000 0.974 2837 K CB 0.478 32.987 32.500 0.016 0.000 0.962 2837 K HN 0.660 nan 8.250 nan 0.000 0.474 2838 I N -0.017 120.469 120.570 -0.140 0.000 3.936 2838 I HA 0.097 4.267 4.170 0.001 0.000 0.330 2838 I C 0.123 176.148 176.117 -0.153 0.000 1.509 2838 I CA -0.592 60.462 61.300 -0.410 0.000 1.126 2838 I CB 0.150 37.845 38.000 -0.507 0.000 1.115 2838 I HN 0.319 nan 8.210 nan 0.000 0.424 2839 N N 1.283 119.947 118.700 -0.060 0.000 2.920 2839 N HA 0.026 4.766 4.740 0.001 0.000 0.310 2839 N C 0.008 175.525 175.510 0.012 0.000 1.384 2839 N CA -0.345 52.697 53.050 -0.013 0.000 1.083 2839 N CB -0.204 38.261 38.487 -0.036 0.000 1.389 2839 N HN 0.479 nan 8.380 nan 0.000 0.521 2840 D N -1.594 118.847 120.400 0.069 0.000 2.388 2840 D HA 0.174 4.815 4.640 0.001 0.000 0.221 2840 D C 1.176 177.507 176.300 0.051 0.000 1.133 2840 D CA -0.056 53.988 54.000 0.073 0.000 0.831 2840 D CB -0.356 40.517 40.800 0.122 0.000 0.962 2840 D HN 0.335 nan 8.370 nan 0.000 0.502 2841 G N -0.059 108.752 108.800 0.019 0.000 2.184 2841 G HA2 -0.295 3.666 3.960 0.001 0.000 0.264 2841 G HA3 -0.295 3.666 3.960 0.001 0.000 0.264 2841 G C 0.274 175.107 174.900 -0.113 0.000 0.975 2841 G CA 0.258 45.329 45.100 -0.049 0.000 0.642 2841 G HN 0.404 nan 8.290 nan 0.000 0.536 2842 Q N -1.200 118.566 119.800 -0.058 0.000 2.199 2842 Q HA 0.547 4.888 4.340 0.001 0.000 0.232 2842 Q C -0.123 175.705 176.000 -0.286 0.000 0.969 2842 Q CA -0.748 54.958 55.803 -0.161 0.000 0.925 2842 Q CB 0.606 29.256 28.738 -0.147 0.000 1.198 2842 Q HN 0.400 nan 8.270 nan 0.000 0.494 2843 W N 1.371 122.543 121.300 -0.212 0.000 2.322 2843 W HA 0.209 4.870 4.660 0.001 0.000 0.307 2843 W C 0.329 176.639 176.519 -0.349 0.000 1.220 2843 W CA -0.016 57.235 57.345 -0.157 0.000 1.210 2843 W CB 0.672 30.085 29.460 -0.078 0.000 1.223 2843 W HN 0.269 nan 8.180 nan 0.000 0.511 2844 H N 2.151 121.402 119.070 0.302 0.000 2.637 2844 H HA 0.242 4.798 4.556 0.001 0.000 0.363 2844 H C -0.729 174.717 175.328 0.197 0.000 1.131 2844 H CA -1.250 54.917 56.048 0.199 0.000 1.183 2844 H CB 2.215 32.057 29.762 0.134 0.000 1.637 2844 H HN 0.116 nan 8.280 nan 0.000 0.531 2845 K N 2.855 123.411 120.400 0.259 0.000 2.227 2845 K HA 0.389 4.710 4.320 0.001 0.000 0.280 2845 K C -0.915 175.786 176.600 0.169 0.000 1.041 2845 K CA -0.227 56.166 56.287 0.177 0.000 0.905 2845 K CB 0.228 32.794 32.500 0.111 0.000 1.068 2845 K HN 0.477 nan 8.250 nan 0.000 0.470 2846 I N 4.494 125.153 120.570 0.149 0.000 2.436 2846 I HA 0.362 4.532 4.170 0.001 0.000 0.289 2846 I C -0.441 175.739 176.117 0.105 0.000 1.010 2846 I CA -0.858 60.524 61.300 0.137 0.000 1.098 2846 I CB 1.799 39.887 38.000 0.147 0.000 1.266 2846 I HN 0.509 nan 8.210 nan 0.000 0.434 2847 K N 7.629 128.096 120.400 0.112 0.000 2.468 2847 K HA 0.659 4.980 4.320 0.001 0.000 0.252 2847 K C -1.617 175.029 176.600 0.076 0.000 0.932 2847 K CA -0.620 55.708 56.287 0.069 0.000 0.794 2847 K CB 2.788 35.295 32.500 0.012 0.000 1.241 2847 K HN 0.650 nan 8.250 nan 0.000 0.428 2848 I N 0.186 120.716 120.570 -0.067 0.000 2.509 2848 I HA 0.558 4.729 4.170 0.001 0.000 0.293 2848 I C -1.123 174.912 176.117 -0.137 0.000 1.020 2848 I CA -0.954 60.183 61.300 -0.273 0.000 1.088 2848 I CB 2.132 39.662 38.000 -0.784 0.000 1.267 2848 I HN 0.102 nan 8.210 nan 0.000 0.430 2849 V N 5.235 125.117 119.914 -0.054 0.000 2.482 2849 V HA 0.617 4.738 4.120 0.001 0.000 0.295 2849 V C -0.250 175.844 176.094 0.001 0.000 1.026 2849 V CA -0.479 61.826 62.300 0.009 0.000 0.856 2849 V CB 1.356 33.250 31.823 0.120 0.000 1.001 2849 V HN 0.783 nan 8.190 nan 0.000 0.424 2850 R N 3.242 123.726 120.500 -0.027 0.000 2.562 2850 R HA 0.791 5.132 4.340 0.001 0.000 0.298 2850 R C -1.858 174.433 176.300 -0.015 0.000 0.961 2850 R CA -0.511 55.563 56.100 -0.044 0.000 0.881 2850 R CB 2.122 32.354 30.300 -0.114 0.000 1.159 2850 R HN 0.500 nan 8.270 nan 0.000 0.450 2851 V N 6.296 126.213 119.914 0.005 0.000 2.445 2851 V HA 0.238 4.358 4.120 0.001 0.000 0.283 2851 V C 0.332 176.448 176.094 0.036 0.000 1.014 2851 V CA -0.644 61.668 62.300 0.021 0.000 0.852 2851 V CB 1.369 33.207 31.823 0.026 0.000 1.021 2851 V HN 0.935 nan 8.190 nan 0.000 0.435 2852 K N 2.500 122.924 120.400 0.040 0.000 2.844 2852 K HA -0.361 3.960 4.320 0.001 0.000 0.177 2852 K C 1.056 177.708 176.600 0.087 0.000 0.804 2852 K CA 2.257 58.576 56.287 0.053 0.000 0.458 2852 K CB -0.640 31.886 32.500 0.043 0.000 0.759 2852 K HN 0.669 nan 8.250 nan 0.000 0.761 2853 Q N 1.316 121.169 119.800 0.090 0.000 2.319 2853 Q HA 0.095 4.436 4.340 0.001 0.000 0.202 2853 Q C -0.588 175.513 176.000 0.168 0.000 0.896 2853 Q CA 0.088 55.969 55.803 0.130 0.000 0.942 2853 Q CB 0.607 29.387 28.738 0.070 0.000 1.083 2853 Q HN 0.278 nan 8.270 nan 0.000 0.510 2854 E N 0.239 120.511 120.200 0.120 0.000 2.146 2854 E HA 0.417 4.768 4.350 0.001 0.000 0.282 2854 E C -0.457 176.198 176.600 0.092 0.000 0.989 2854 E CA -0.473 55.993 56.400 0.111 0.000 0.799 2854 E CB 1.483 31.223 29.700 0.067 0.000 1.088 2854 E HN 0.112 nan 8.360 nan 0.000 0.397 2855 G N 2.982 111.874 108.800 0.153 0.000 2.513 2855 G HA2 0.655 4.616 3.960 0.001 0.000 0.317 2855 G HA3 0.655 4.616 3.960 0.001 0.000 0.317 2855 G C -0.683 174.335 174.900 0.196 0.000 1.277 2855 G CA -0.526 44.658 45.100 0.141 0.000 0.955 2855 G HN 0.437 nan 8.290 nan 0.000 0.484 2856 I N 1.928 122.603 120.570 0.176 0.000 2.512 2856 I HA 0.253 4.424 4.170 0.001 0.000 0.287 2856 I C -1.021 175.035 176.117 -0.101 0.000 1.069 2856 I CA -0.811 60.484 61.300 -0.008 0.000 1.056 2856 I CB 2.284 40.200 38.000 -0.140 0.000 1.229 2856 I HN 0.356 nan 8.210 nan 0.000 0.429 2857 L N 7.575 128.751 121.223 -0.079 0.000 2.265 2857 L HA 0.529 4.870 4.340 0.001 0.000 0.289 2857 L C -1.481 175.267 176.870 -0.203 0.000 1.033 2857 L CA 0.136 54.925 54.840 -0.086 0.000 0.814 2857 L CB 0.323 42.454 42.059 0.120 0.000 1.203 2857 L HN 0.327 nan 8.230 nan 0.000 0.423 2858 Y N 3.837 124.127 120.300 -0.018 0.000 2.361 2858 Y HA 0.672 5.223 4.550 0.001 0.000 0.332 2858 Y C -0.166 175.745 175.900 0.018 0.000 1.101 2858 Y CA -0.678 57.423 58.100 0.002 0.000 1.137 2858 Y CB 2.085 40.542 38.460 -0.004 0.000 1.207 2858 Y HN 0.295 nan 8.280 nan 0.000 0.463 2859 V N 4.131 124.158 119.914 0.188 0.000 2.501 2859 V HA 0.216 4.337 4.120 0.001 0.000 0.277 2859 V C -0.443 175.744 176.094 0.154 0.000 1.004 2859 V CA -0.806 61.580 62.300 0.142 0.000 0.862 2859 V CB 0.609 32.478 31.823 0.078 0.000 1.035 2859 V HN 1.013 nan 8.190 nan 0.000 0.448 2860 D N 2.753 123.252 120.400 0.166 0.000 4.529 2860 D HA -0.218 4.422 4.640 0.001 0.000 0.151 2860 D C 0.634 177.008 176.300 0.124 0.000 0.685 2860 D CA 2.025 56.113 54.000 0.147 0.000 1.198 2860 D CB -0.414 40.492 40.800 0.176 0.000 0.658 2860 D HN 0.622 nan 8.370 nan 0.000 0.542 2861 D N 1.126 121.597 120.400 0.118 0.000 2.433 2861 D HA 0.463 5.104 4.640 0.001 0.000 0.211 2861 D C 0.333 176.706 176.300 0.122 0.000 1.114 2861 D CA 0.564 54.630 54.000 0.110 0.000 0.837 2861 D CB 0.527 41.373 40.800 0.078 0.000 0.984 2861 D HN 0.400 nan 8.370 nan 0.000 0.505 2862 A N 0.738 123.625 122.820 0.112 0.000 2.279 2862 A HA 0.699 5.020 4.320 0.001 0.000 0.303 2862 A C 0.364 177.979 177.584 0.051 0.000 1.108 2862 A CA -0.257 51.819 52.037 0.066 0.000 0.830 2862 A CB 0.958 19.977 19.000 0.031 0.000 1.106 2862 A HN 0.075 nan 8.150 nan 0.000 0.493 2863 S N -0.364 115.308 115.700 -0.045 0.000 2.588 2863 S HA 0.793 5.264 4.470 0.001 0.000 0.269 2863 S C -0.774 173.728 174.600 -0.165 0.000 1.157 2863 S CA 0.121 58.197 58.200 -0.206 0.000 0.824 2863 S CB 1.246 64.181 63.200 -0.441 0.000 1.126 2863 S HN 2.220 nan 8.310 nan 0.000 0.464 2864 S N 0.741 116.331 115.700 -0.183 0.000 2.541 2864 S HA 0.699 5.170 4.470 0.001 0.000 0.271 2864 S C -1.359 173.197 174.600 -0.074 0.000 1.133 2864 S CA -0.748 57.392 58.200 -0.101 0.000 0.876 2864 S CB 1.700 64.857 63.200 -0.071 0.000 1.105 2864 S HN 0.888 nan 8.310 nan 0.000 0.470 2865 Q N 0.315 120.093 119.800 -0.038 0.000 2.351 2865 Q HA 0.828 5.169 4.340 0.001 0.000 0.273 2865 Q C -0.853 175.167 176.000 0.034 0.000 1.077 2865 Q CA -0.784 55.021 55.803 0.004 0.000 0.843 2865 Q CB 2.361 31.094 28.738 -0.009 0.000 1.367 2865 Q HN 0.861 nan 8.270 nan 0.000 0.449 2866 T N -0.048 114.551 114.554 0.074 0.000 2.693 2866 T HA 0.664 5.015 4.350 0.001 0.000 0.304 2866 T C -2.073 172.685 174.700 0.097 0.000 1.471 2866 T CA -0.490 61.649 62.100 0.064 0.000 0.993 2866 T CB 1.032 69.930 68.868 0.050 0.000 1.554 2866 T HN 0.425 nan 8.240 nan 0.000 0.496 2867 I N 0.892 121.487 120.570 0.041 0.000 2.571 2867 I HA 0.546 4.717 4.170 0.001 0.000 0.289 2867 I C 0.182 176.259 176.117 -0.066 0.000 1.115 2867 I CA -1.014 60.312 61.300 0.044 0.000 1.045 2867 I CB 1.691 39.705 38.000 0.024 0.000 1.238 2867 I HN 0.551 nan 8.210 nan 0.000 0.424 2868 S N 4.281 119.927 115.700 -0.089 0.000 2.537 2868 S HA 0.445 4.915 4.470 0.001 0.000 0.286 2868 S C -2.313 172.211 174.600 -0.128 0.000 1.299 2868 S CA -0.758 57.300 58.200 -0.236 0.000 1.067 2868 S CB -0.340 62.740 63.200 -0.200 0.000 0.864 2868 S HN 0.542 nan 8.310 nan 0.000 0.494 2869 P HA 0.012 nan 4.420 nan 0.000 0.271 2869 P C 0.668 177.933 177.300 -0.058 0.000 1.228 2869 P CA -0.151 62.897 63.100 -0.087 0.000 0.797 2869 P CB 0.285 31.930 31.700 -0.090 0.000 0.914 2870 K N -0.892 119.484 120.400 -0.039 0.000 1.956 2870 K HA -0.314 4.007 4.320 0.001 0.000 0.109 2870 K C 1.026 177.615 176.600 -0.017 0.000 1.240 2870 K CA 1.724 57.996 56.287 -0.025 0.000 0.472 2870 K CB -1.273 31.213 32.500 -0.023 0.000 0.548 2870 K HN 0.294 nan 8.250 nan 0.000 0.964 2871 K N 0.005 120.398 120.400 -0.012 0.000 2.436 2871 K HA 0.322 4.643 4.320 0.001 0.000 0.198 2871 K C -0.390 176.211 176.600 0.001 0.000 1.174 2871 K CA 0.706 56.990 56.287 -0.004 0.000 0.951 2871 K CB 0.659 33.158 32.500 -0.001 0.000 1.040 2871 K HN 0.544 nan 8.250 nan 0.000 0.536 2872 A N 2.529 125.348 122.820 -0.002 0.000 2.583 2872 A HA -0.019 4.302 4.320 0.001 0.000 0.249 2872 A C 0.022 177.615 177.584 0.016 0.000 1.035 2872 A CA 1.194 53.234 52.037 0.005 0.000 0.777 2872 A CB -0.246 18.753 19.000 -0.002 0.000 0.942 2872 A HN 0.429 nan 8.150 nan 0.000 0.516 2873 D N 1.162 121.578 120.400 0.026 0.000 2.556 2873 D HA 0.222 4.863 4.640 0.001 0.000 0.237 2873 D C -0.296 176.032 176.300 0.047 0.000 1.296 2873 D CA 0.008 54.033 54.000 0.042 0.000 0.807 2873 D CB -0.306 40.516 40.800 0.037 0.000 1.084 2873 D HN 0.399 nan 8.370 nan 0.000 0.510 2874 I N 1.025 121.621 120.570 0.042 0.000 2.389 2874 I HA 0.245 4.416 4.170 0.001 0.000 0.288 2874 I C -0.824 175.325 176.117 0.054 0.000 0.999 2874 I CA -1.328 59.999 61.300 0.045 0.000 1.129 2874 I CB 2.385 40.406 38.000 0.036 0.000 1.288 2874 I HN -0.102 nan 8.210 nan 0.000 0.444 2875 L N 7.396 128.660 121.223 0.068 0.000 2.363 2875 L HA 0.461 4.802 4.340 0.001 0.000 0.286 2875 L C 0.299 177.219 176.870 0.083 0.000 1.106 2875 L CA 0.129 55.019 54.840 0.084 0.000 0.859 2875 L CB 0.482 42.603 42.059 0.104 0.000 1.223 2875 L HN 0.671 nan 8.230 nan 0.000 0.446 2876 A N 6.390 129.253 122.820 0.071 0.000 2.341 2876 A HA 0.645 4.965 4.320 0.001 0.000 0.326 2876 A C -0.463 177.164 177.584 0.071 0.000 1.402 2876 A CA -0.122 51.951 52.037 0.059 0.000 0.957 2876 A CB 0.107 19.132 19.000 0.042 0.000 1.151 2876 A HN 0.816 nan 8.150 nan 0.000 0.533 2877 V N 0.394 120.354 119.914 0.077 0.000 3.141 2877 V HA 0.770 4.891 4.120 0.001 0.000 0.312 2877 V C -0.159 175.945 176.094 0.018 0.000 1.157 2877 V CA -0.946 61.407 62.300 0.089 0.000 1.041 2877 V CB 1.376 33.298 31.823 0.166 0.000 1.071 2877 V HN 0.400 nan 8.190 nan 0.000 0.441 2878 V N 1.421 121.349 119.914 0.024 0.000 2.614 2878 V HA 0.434 4.555 4.120 0.001 0.000 0.291 2878 V C 1.522 177.462 176.094 -0.257 0.000 1.049 2878 V CA 0.777 63.043 62.300 -0.057 0.000 1.038 2878 V CB 1.043 32.893 31.823 0.046 0.000 0.980 2878 V HN 1.264 nan 8.190 nan 0.000 0.481 2879 G N 5.894 114.400 108.800 -0.491 0.000 2.991 2879 G HA2 0.326 4.287 3.960 0.001 0.000 0.262 2879 G HA3 0.326 4.287 3.960 0.001 0.000 0.262 2879 G C -0.131 174.333 174.900 -0.727 0.000 0.765 2879 G CA 0.104 44.517 45.100 -1.144 0.000 2.051 2879 G HN 0.593 nan 8.290 nan 0.000 0.602 2880 I N 0.865 121.259 120.570 -0.292 0.000 2.571 2880 I HA 0.181 4.351 4.170 0.001 0.000 0.286 2880 I C -1.079 175.138 176.117 0.167 0.000 1.134 2880 I CA -0.903 60.383 61.300 -0.024 0.000 1.052 2880 I CB 2.331 40.239 38.000 -0.153 0.000 1.237 2880 I HN 0.024 nan 8.210 nan 0.000 0.435 2881 L N 7.932 129.259 121.223 0.174 0.000 2.262 2881 L HA 0.509 4.850 4.340 0.001 0.000 0.288 2881 L C -1.237 175.603 176.870 -0.050 0.000 1.035 2881 L CA 0.020 54.926 54.840 0.110 0.000 0.820 2881 L CB 0.305 42.344 42.059 -0.034 0.000 1.204 2881 L HN 0.273 nan 8.230 nan 0.000 0.424 2882 Y N 3.972 124.396 120.300 0.207 0.000 2.299 2882 Y HA 0.602 5.153 4.550 0.001 0.000 0.326 2882 Y C 0.132 176.138 175.900 0.177 0.000 1.164 2882 Y CA -0.468 57.741 58.100 0.182 0.000 1.234 2882 Y CB 1.439 39.959 38.460 0.101 0.000 1.219 2882 Y HN 0.321 nan 8.280 nan 0.000 0.497 2883 V N 1.223 121.286 119.914 0.248 0.000 2.735 2883 V HA 0.604 4.725 4.120 0.001 0.000 0.310 2883 V C 0.621 176.499 176.094 -0.360 0.000 1.061 2883 V CA -0.450 61.871 62.300 0.035 0.000 0.913 2883 V CB 1.264 33.124 31.823 0.062 0.000 1.005 2883 V HN 0.999 nan 8.190 nan 0.000 0.428 2884 G N 2.444 110.825 108.800 -0.698 0.000 2.220 2884 G HA2 0.087 4.048 3.960 0.001 0.000 0.269 2884 G HA3 0.087 4.048 3.960 0.001 0.000 0.269 2884 G C 0.731 175.455 174.900 -0.293 0.000 0.977 2884 G CA 0.408 44.833 45.100 -1.125 0.000 0.634 2884 G HN 2.157 nan 8.290 nan 0.000 0.539 2885 G N -1.736 107.025 108.800 -0.065 0.000 2.344 2885 G HA2 0.552 4.513 3.960 0.001 0.000 0.282 2885 G HA3 0.552 4.513 3.960 0.001 0.000 0.282 2885 G C -1.331 173.559 174.900 -0.016 0.000 1.281 2885 G CA -0.312 44.801 45.100 0.023 0.000 0.877 2885 G HN 0.973 nan 8.290 nan 0.000 0.494 2886 L N 0.479 121.590 121.223 -0.186 0.000 2.327 2886 L HA 0.569 4.910 4.340 0.001 0.000 0.258 2886 L C -2.371 174.025 176.870 -0.791 0.000 1.024 2886 L CA -2.109 52.395 54.840 -0.560 0.000 0.825 2886 L CB 2.720 44.529 42.059 -0.417 0.000 1.386 2886 L HN 0.323 nan 8.230 nan 0.000 0.417 2887 P HA 0.080 nan 4.420 nan 0.000 0.272 2887 P C 0.706 177.824 177.300 -0.303 0.000 1.254 2887 P CA -0.400 62.301 63.100 -0.665 0.000 0.795 2887 P CB 0.579 32.074 31.700 -0.343 0.000 1.022 2888 I N 0.203 120.608 120.570 -0.274 0.000 2.034 2888 I HA -0.211 3.960 4.170 0.001 0.000 0.228 2888 I C 1.271 177.332 176.117 -0.094 0.000 1.041 2888 I CA 1.938 63.120 61.300 -0.197 0.000 1.321 2888 I CB -1.522 36.341 38.000 -0.229 0.000 1.062 2888 I HN 0.370 nan 8.210 nan 0.000 0.389 2889 N N 0.727 119.389 118.700 -0.064 0.000 2.542 2889 N HA -0.067 4.674 4.740 0.001 0.000 0.234 2889 N C -0.457 175.047 175.510 -0.010 0.000 1.257 2889 N CA 0.107 53.135 53.050 -0.036 0.000 0.883 2889 N CB -0.535 37.934 38.487 -0.030 0.000 1.197 2889 N HN 0.311 nan 8.380 nan 0.000 0.488 2890 Y N 0.629 120.835 120.300 -0.157 0.000 2.326 2890 Y HA 0.221 4.772 4.550 0.001 0.000 0.337 2890 Y C -0.159 175.630 175.900 -0.185 0.000 1.023 2890 Y CA -0.119 57.878 58.100 -0.172 0.000 1.143 2890 Y CB 1.019 39.306 38.460 -0.289 0.000 1.183 2890 Y HN -0.189 nan 8.280 nan 0.000 0.485 2891 T N 4.783 118.998 114.554 -0.566 0.000 2.921 2891 T HA 0.366 4.717 4.350 0.001 0.000 0.297 2891 T C -1.048 173.291 174.700 -0.601 0.000 1.013 2891 T CA -0.714 61.120 62.100 -0.444 0.000 0.990 2891 T CB 1.384 70.106 68.868 -0.243 0.000 1.023 2891 T HN 0.643 nan 8.240 nan 0.000 0.447 2892 T N 1.874 116.055 114.554 -0.622 0.000 2.912 2892 T HA 0.519 4.870 4.350 0.001 0.000 0.299 2892 T C 0.013 174.427 174.700 -0.477 0.000 1.052 2892 T CA -0.743 60.887 62.100 -0.784 0.000 0.996 2892 T CB 1.218 69.469 68.868 -1.028 0.000 1.070 2892 T HN 0.549 nan 8.240 nan 0.000 0.465 2893 R N 1.887 122.169 120.500 -0.363 0.000 2.535 2893 R HA 0.260 4.601 4.340 0.001 0.000 0.323 2893 R C 1.506 177.680 176.300 -0.211 0.000 0.979 2893 R CA -0.472 55.487 56.100 -0.236 0.000 1.120 2893 R CB 0.427 30.639 30.300 -0.146 0.000 1.306 2893 R HN 0.330 nan 8.270 nan 0.000 0.540 2894 R N 0.999 121.325 120.500 -0.290 0.000 2.299 2894 R HA 0.103 4.444 4.340 0.001 0.000 0.197 2894 R C 1.584 177.678 176.300 -0.342 0.000 0.971 2894 R CA 0.750 56.695 56.100 -0.258 0.000 1.030 2894 R CB 0.021 30.112 30.300 -0.348 0.000 0.932 2894 R HN 0.386 nan 8.270 nan 0.000 0.477 2895 I N -4.812 115.541 120.570 -0.363 0.000 4.160 2895 I HA 0.415 4.586 4.170 0.001 0.000 0.325 2895 I C 0.312 176.304 176.117 -0.209 0.000 1.455 2895 I CA -0.070 61.063 61.300 -0.278 0.000 1.142 2895 I CB 0.846 38.639 38.000 -0.344 0.000 1.262 2895 I HN 0.066 nan 8.210 nan 0.000 0.483 2896 G N 3.032 111.719 108.800 -0.189 0.000 2.610 2896 G HA2 -0.175 3.786 3.960 0.001 0.000 0.304 2896 G HA3 -0.175 3.786 3.960 0.001 0.000 0.304 2896 G C -2.103 172.702 174.900 -0.158 0.000 1.309 2896 G CA -0.084 44.924 45.100 -0.155 0.000 0.906 2896 G HN 0.129 nan 8.290 nan 0.000 0.521 2897 P HA 0.082 nan 4.420 nan 0.000 0.225 2897 P C 1.034 178.287 177.300 -0.079 0.000 1.156 2897 P CA 1.163 64.234 63.100 -0.049 0.000 0.787 2897 P CB 0.026 31.734 31.700 0.013 0.000 0.802 2898 V N 2.555 122.335 119.914 -0.223 0.000 2.070 2898 V HA 0.030 4.151 4.120 0.001 0.000 0.239 2898 V C 1.608 177.376 176.094 -0.543 0.000 1.472 2898 V CA 1.311 63.297 62.300 -0.523 0.000 1.453 2898 V CB -1.414 30.160 31.823 -0.415 0.000 1.503 2898 V HN 0.317 nan 8.190 nan 0.000 0.501 2899 T N -1.795 112.470 114.554 -0.483 0.000 3.040 2899 T HA 0.234 4.584 4.350 0.001 0.000 0.266 2899 T C 0.251 174.802 174.700 -0.247 0.000 1.005 2899 T CA -0.314 61.577 62.100 -0.348 0.000 0.906 2899 T CB -0.271 68.442 68.868 -0.259 0.000 1.082 2899 T HN 0.463 nan 8.240 nan 0.000 0.531 2900 Y N 0.685 120.936 120.300 -0.083 0.000 2.307 2900 Y HA 0.740 5.291 4.550 0.001 0.000 0.324 2900 Y C 0.759 176.651 175.900 -0.013 0.000 1.238 2900 Y CA -1.829 56.248 58.100 -0.040 0.000 1.280 2900 Y CB 0.369 38.816 38.460 -0.021 0.000 1.248 2900 Y HN -0.006 nan 8.280 nan 0.000 0.508 2901 S N 1.729 117.539 115.700 0.184 0.000 2.558 2901 S HA 0.040 4.511 4.470 0.001 0.000 0.287 2901 S C -0.418 174.281 174.600 0.166 0.000 1.321 2901 S CA -0.731 57.561 58.200 0.154 0.000 1.048 2901 S CB 0.011 63.356 63.200 0.242 0.000 0.844 2901 S HN 0.671 nan 8.310 nan 0.000 0.512 2902 L N 4.333 125.612 121.223 0.094 0.000 2.313 2902 L HA 0.373 4.714 4.340 0.001 0.000 0.282 2902 L C -0.068 176.905 176.870 0.173 0.000 1.092 2902 L CA -0.042 54.858 54.840 0.099 0.000 0.831 2902 L CB 0.896 42.967 42.059 0.019 0.000 1.159 2902 L HN 0.640 nan 8.230 nan 0.000 0.442 2903 D N 4.587 125.080 120.400 0.155 0.000 2.416 2903 D HA 0.485 5.126 4.640 0.001 0.000 0.240 2903 D C -0.074 176.294 176.300 0.114 0.000 1.250 2903 D CA 0.676 54.760 54.000 0.141 0.000 0.967 2903 D CB 0.010 40.879 40.800 0.116 0.000 1.059 2903 D HN 0.792 nan 8.370 nan 0.000 0.512 2904 G N 1.322 110.207 108.800 0.142 0.000 2.441 2904 G HA2 0.322 4.283 3.960 0.001 0.000 0.294 2904 G HA3 0.322 4.283 3.960 0.001 0.000 0.294 2904 G C -1.503 173.481 174.900 0.139 0.000 1.393 2904 G CA -0.547 44.610 45.100 0.095 0.000 0.796 2904 G HN 0.485 nan 8.290 nan 0.000 0.494 2905 c N -0.228 118.398 118.600 0.044 0.000 2.397 2905 c HA 0.914 5.485 4.570 0.001 0.000 0.343 2905 c C -0.074 174.149 174.090 0.222 0.000 1.188 2905 c CA -0.117 56.264 56.329 0.087 0.000 1.992 2905 c CB 0.563 43.033 42.510 -0.066 0.000 2.358 2905 c HN 0.747 nan 8.230 nan 0.000 0.518 2906 V N 5.156 125.298 119.914 0.379 0.000 2.971 2906 V HA 0.786 4.907 4.120 0.001 0.000 0.309 2906 V C -0.491 175.818 176.094 0.359 0.000 1.130 2906 V CA -0.590 61.967 62.300 0.429 0.000 0.964 2906 V CB 2.128 34.219 31.823 0.446 0.000 1.029 2906 V HN 1.060 nan 8.190 nan 0.000 0.427 2907 R N 1.400 122.055 120.500 0.258 0.000 2.762 2907 R HA 0.503 4.844 4.340 0.001 0.000 0.271 2907 R C -0.719 175.549 176.300 -0.053 0.000 1.038 2907 R CA -0.883 55.254 56.100 0.062 0.000 0.906 2907 R CB 0.719 30.988 30.300 -0.051 0.000 1.259 2907 R HN 0.460 nan 8.270 nan 0.000 0.457 2908 N N 0.118 118.730 118.700 -0.147 0.000 2.707 2908 N HA -0.197 4.544 4.740 0.001 0.000 0.253 2908 N C -0.681 174.484 175.510 -0.574 0.000 0.998 2908 N CA 0.933 53.801 53.050 -0.303 0.000 0.751 2908 N CB -0.917 37.483 38.487 -0.144 0.000 0.920 2908 N HN 0.497 nan 8.380 nan 0.000 0.539 2909 L N 1.883 122.824 121.223 -0.469 0.000 2.410 2909 L HA 0.219 4.560 4.340 0.001 0.000 0.273 2909 L C 0.115 176.594 176.870 -0.652 0.000 1.152 2909 L CA 0.320 54.924 54.840 -0.393 0.000 0.855 2909 L CB 0.481 42.432 42.059 -0.179 0.000 1.129 2909 L HN 0.178 nan 8.230 nan 0.000 0.463 2910 H N 5.923 124.940 119.070 -0.090 0.000 2.894 2910 H HA 0.453 5.010 4.556 0.001 0.000 0.367 2910 H C -1.133 174.106 175.328 -0.149 0.000 1.144 2910 H CA -0.641 55.345 56.048 -0.104 0.000 1.180 2910 H CB 1.936 31.646 29.762 -0.086 0.000 1.758 2910 H HN 0.655 nan 8.280 nan 0.000 0.541 2911 M N 2.480 122.067 119.600 -0.022 0.000 2.204 2911 M HA 0.227 4.707 4.480 0.001 0.000 0.293 2911 M C 0.309 176.559 176.300 -0.083 0.000 0.994 2911 M CA -0.311 54.915 55.300 -0.122 0.000 0.925 2911 M CB 1.598 34.057 32.600 -0.234 0.000 1.577 2911 M HN 0.618 nan 8.290 nan 0.000 0.439 2912 E N 1.712 121.863 120.200 -0.082 0.000 2.072 2912 E HA -0.178 4.173 4.350 0.001 0.000 0.191 2912 E C 1.122 177.690 176.600 -0.054 0.000 0.985 2912 E CA 1.171 57.533 56.400 -0.065 0.000 0.801 2912 E CB 0.187 29.850 29.700 -0.061 0.000 0.750 2912 E HN 0.712 nan 8.360 nan 0.000 0.452 2913 Q N -0.031 119.731 119.800 -0.063 0.000 2.364 2913 Q HA -0.008 4.333 4.340 0.001 0.000 0.209 2913 Q C 0.432 176.426 176.000 -0.010 0.000 0.977 2913 Q CA 0.872 56.655 55.803 -0.033 0.000 0.885 2913 Q CB 0.153 28.871 28.738 -0.032 0.000 0.941 2913 Q HN 0.142 nan 8.270 nan 0.000 0.464 2914 A N 1.302 124.103 122.820 -0.032 0.000 2.565 2914 A HA 0.451 4.772 4.320 0.001 0.000 0.298 2914 A C -2.794 174.781 177.584 -0.015 0.000 1.062 2914 A CA -1.376 50.665 52.037 0.006 0.000 0.723 2914 A CB 1.233 20.281 19.000 0.081 0.000 1.282 2914 A HN -0.120 nan 8.150 nan 0.000 0.400 2915 P HA 0.280 nan 4.420 nan 0.000 0.264 2915 P C -0.645 176.661 177.300 0.010 0.000 1.229 2915 P CA 0.417 63.522 63.100 0.007 0.000 0.780 2915 P CB 0.555 32.262 31.700 0.012 0.000 0.808 2916 V N 4.873 124.784 119.914 -0.005 0.000 2.498 2916 V HA 0.226 4.347 4.120 0.001 0.000 0.283 2916 V C -0.095 175.988 176.094 -0.018 0.000 1.015 2916 V CA -0.535 61.752 62.300 -0.021 0.000 0.867 2916 V CB 1.681 33.448 31.823 -0.093 0.000 1.025 2916 V HN 0.623 nan 8.190 nan 0.000 0.441 2917 D N 4.336 124.735 120.400 -0.001 0.000 2.433 2917 D HA 0.395 5.036 4.640 0.001 0.000 0.236 2917 D C 0.842 177.136 176.300 -0.010 0.000 1.026 2917 D CA -0.751 53.242 54.000 -0.012 0.000 0.884 2917 D CB 2.597 43.410 40.800 0.022 0.000 1.384 2917 D HN 0.255 nan 8.370 nan 0.000 0.477 2918 L N 0.524 121.736 121.223 -0.018 0.000 2.265 2918 L HA -0.156 4.185 4.340 0.001 0.000 0.215 2918 L C 1.531 178.404 176.870 0.004 0.000 1.117 2918 L CA 0.978 55.825 54.840 0.011 0.000 0.782 2918 L CB -0.312 41.762 42.059 0.025 0.000 0.914 2918 L HN 0.411 nan 8.230 nan 0.000 0.441 2919 D N 0.168 120.566 120.400 -0.004 0.000 2.117 2919 D HA -0.152 4.489 4.640 0.001 0.000 0.197 2919 D C 1.030 177.328 176.300 -0.004 0.000 0.987 2919 D CA 1.293 55.289 54.000 -0.007 0.000 0.829 2919 D CB 0.030 40.827 40.800 -0.005 0.000 0.961 2919 D HN 0.364 nan 8.370 nan 0.000 0.460 2920 Q N 0.887 120.689 119.800 0.003 0.000 2.721 2920 Q HA 0.249 4.589 4.340 0.001 0.000 0.257 2920 Q C -2.335 173.671 176.000 0.009 0.000 1.070 2920 Q CA -1.416 54.390 55.803 0.005 0.000 0.910 2920 Q CB 1.936 30.678 28.738 0.006 0.000 1.163 2920 Q HN 0.188 nan 8.270 nan 0.000 0.501 2921 P HA 0.084 nan 4.420 nan 0.000 0.279 2921 P C 0.230 177.538 177.300 0.012 0.000 1.239 2921 P CA -0.140 62.969 63.100 0.014 0.000 0.789 2921 P CB 1.864 33.575 31.700 0.019 0.000 0.933 2922 T N 0.637 115.197 114.554 0.010 0.000 2.777 2922 T HA 0.009 4.360 4.350 0.001 0.000 0.266 2922 T C 0.714 175.425 174.700 0.020 0.000 1.040 2922 T CA 1.293 63.399 62.100 0.011 0.000 1.141 2922 T CB -0.047 68.821 68.868 -0.001 0.000 0.868 2922 T HN 0.532 nan 8.240 nan 0.000 0.444 2923 S N -0.126 115.586 115.700 0.020 0.000 2.607 2923 S HA 0.668 5.139 4.470 0.001 0.000 0.273 2923 S C -1.079 173.518 174.600 -0.004 0.000 1.148 2923 S CA -0.993 57.227 58.200 0.034 0.000 0.833 2923 S CB 2.395 65.642 63.200 0.079 0.000 1.130 2923 S HN 0.449 nan 8.310 nan 0.000 0.470 2924 S N 0.660 116.355 115.700 -0.009 0.000 2.537 2924 S HA 0.810 5.281 4.470 0.001 0.000 0.271 2924 S C -1.798 172.830 174.600 0.047 0.000 1.148 2924 S CA -0.747 57.417 58.200 -0.059 0.000 0.868 2924 S CB 1.403 64.588 63.200 -0.024 0.000 1.115 2924 S HN 0.677 nan 8.310 nan 0.000 0.461 2925 F N 2.845 122.673 119.950 -0.203 0.000 2.585 2925 F HA 0.491 5.019 4.527 0.001 0.000 0.319 2925 F C 0.306 176.171 175.800 0.109 0.000 1.165 2925 F CA -0.270 57.713 58.000 -0.028 0.000 0.949 2925 F CB 1.021 40.016 39.000 -0.008 0.000 1.218 2925 F HN 1.027 nan 8.300 nan 0.000 0.453 2926 H N 3.370 122.124 119.070 -0.527 0.000 2.506 2926 H HA -0.102 4.455 4.556 0.001 0.000 0.323 2926 H C -1.035 174.177 175.328 -0.194 0.000 1.076 2926 H CA 0.267 56.073 56.048 -0.403 0.000 1.108 2926 H CB -0.792 28.684 29.762 -0.476 0.000 1.569 2926 H HN 0.221 nan 8.280 nan 0.000 0.399 2927 V N 0.533 120.389 119.914 -0.097 0.000 2.495 2927 V HA 0.625 4.746 4.120 0.001 0.000 0.298 2927 V C 0.841 176.797 176.094 -0.229 0.000 1.031 2927 V CA 0.076 62.249 62.300 -0.211 0.000 0.871 2927 V CB 2.003 33.664 31.823 -0.270 0.000 0.988 2927 V HN 0.525 nan 8.190 nan 0.000 0.432 2928 G N 2.725 111.364 108.800 -0.268 0.000 3.209 2928 G HA2 0.652 4.613 3.960 0.001 0.000 0.236 2928 G HA3 0.652 4.613 3.960 0.001 0.000 0.236 2928 G C -0.701 174.044 174.900 -0.258 0.000 1.329 2928 G CA -0.470 44.486 45.100 -0.239 0.000 1.015 2928 G HN 0.532 nan 8.290 nan 0.000 0.571 2929 T N -0.186 114.217 114.554 -0.252 0.000 2.859 2929 T HA 0.448 4.799 4.350 0.001 0.000 0.281 2929 T C 0.073 174.582 174.700 -0.319 0.000 1.005 2929 T CA -0.244 61.718 62.100 -0.230 0.000 1.025 2929 T CB 0.907 69.668 68.868 -0.178 0.000 0.977 2929 T HN 0.653 nan 8.240 nan 0.000 0.458 2930 c N 2.335 120.802 118.600 -0.221 0.000 2.520 2930 c HA 0.532 5.103 4.570 0.001 0.000 0.376 2930 c C 0.476 174.426 174.090 -0.234 0.000 1.268 2930 c CA -1.130 55.052 56.329 -0.245 0.000 2.414 2930 c CB -0.852 41.634 42.510 -0.041 0.000 2.521 2930 c HN 0.755 nan 8.230 nan 0.000 0.618 2931 F N 0.468 120.402 119.950 -0.028 0.000 2.389 2931 F HA 0.407 4.935 4.527 0.001 0.000 0.337 2931 F C 1.496 177.303 175.800 0.010 0.000 1.112 2931 F CA -0.144 57.830 58.000 -0.044 0.000 1.192 2931 F CB 0.684 39.624 39.000 -0.100 0.000 1.185 2931 F HN 0.799 nan 8.300 nan 0.000 0.552 2932 A N 2.818 125.765 122.820 0.212 0.000 1.908 2932 A HA -0.181 4.139 4.320 0.001 0.000 0.218 2932 A C 0.276 177.957 177.584 0.161 0.000 1.181 2932 A CA 1.406 53.544 52.037 0.168 0.000 0.627 2932 A CB -0.694 18.373 19.000 0.111 0.000 0.818 2932 A HN 0.835 nan 8.150 nan 0.000 0.445 2933 N N -1.533 117.238 118.700 0.117 0.000 2.448 2933 N HA 0.632 5.373 4.740 0.001 0.000 0.279 2933 N C -0.775 174.758 175.510 0.037 0.000 1.025 2933 N CA 0.410 53.501 53.050 0.068 0.000 0.898 2933 N CB 2.063 40.568 38.487 0.029 0.000 1.303 2933 N HN 0.490 nan 8.380 nan 0.000 0.495 2934 A N 1.624 124.477 122.820 0.054 0.000 2.552 2934 A HA 0.850 5.171 4.320 0.001 0.000 0.288 2934 A C -1.403 176.213 177.584 0.053 0.000 1.193 2934 A CA -0.681 51.384 52.037 0.048 0.000 0.713 2934 A CB 1.540 20.651 19.000 0.186 0.000 1.305 2934 A HN 0.680 nan 8.150 nan 0.000 0.424 2935 E N -0.507 119.743 120.200 0.083 0.000 2.413 2935 E HA 0.565 4.915 4.350 0.001 0.000 0.277 2935 E C -0.789 175.895 176.600 0.139 0.000 0.958 2935 E CA -0.523 55.943 56.400 0.110 0.000 0.779 2935 E CB 1.498 31.299 29.700 0.169 0.000 1.278 2935 E HN 0.789 nan 8.360 nan 0.000 0.456 2936 S N 0.571 116.335 115.700 0.107 0.000 2.537 2936 S HA 0.581 5.052 4.470 0.001 0.000 0.286 2936 S C 0.543 175.240 174.600 0.162 0.000 1.299 2936 S CA 0.378 58.641 58.200 0.106 0.000 1.067 2936 S CB 0.567 63.800 63.200 0.055 0.000 0.864 2936 S HN 1.062 nan 8.310 nan 0.000 0.494 2937 G N 1.430 110.343 108.800 0.189 0.000 2.333 2937 G HA2 0.444 4.405 3.960 0.001 0.000 0.288 2937 G HA3 0.444 4.405 3.960 0.001 0.000 0.288 2937 G C -1.385 173.635 174.900 0.200 0.000 1.286 2937 G CA -0.738 44.522 45.100 0.265 0.000 0.865 2937 G HN 0.815 nan 8.290 nan 0.000 0.506 2938 T N 0.594 115.257 114.554 0.182 0.000 2.847 2938 T HA 0.517 4.868 4.350 0.001 0.000 0.291 2938 T C -1.370 173.302 174.700 -0.046 0.000 0.998 2938 T CA -0.174 61.879 62.100 -0.079 0.000 0.967 2938 T CB 1.323 69.908 68.868 -0.472 0.000 0.954 2938 T HN 0.624 nan 8.240 nan 0.000 0.441 2939 Y N 3.568 123.709 120.300 -0.264 0.000 2.323 2939 Y HA 0.644 5.195 4.550 0.002 0.000 0.331 2939 Y C -1.537 174.096 175.900 -0.446 0.000 1.092 2939 Y CA -1.658 56.319 58.100 -0.204 0.000 1.150 2939 Y CB 0.509 38.909 38.460 -0.100 0.000 1.200 2939 Y HN 0.538 nan 8.280 nan 0.000 0.472 2940 F N 4.782 124.271 119.950 -0.768 0.000 2.477 2940 F HA 0.237 4.765 4.527 0.001 0.000 0.335 2940 F C 0.483 175.653 175.800 -1.050 0.000 1.130 2940 F CA -1.110 56.479 58.000 -0.686 0.000 0.948 2940 F CB 1.455 40.295 39.000 -0.267 0.000 1.154 2940 F HN 0.562 nan 8.300 nan 0.000 0.439 2941 D N 0.000 120.010 120.400 -0.651 0.000 2.349 2941 D HA 0.178 4.819 4.640 0.001 0.000 0.224 2941 D C 1.651 177.805 176.300 -0.244 0.000 1.029 2941 D CA 0.684 54.407 54.000 -0.460 0.000 0.879 2941 D CB 0.121 40.804 40.800 -0.194 0.000 0.906 2941 D HN 0.794 nan 8.370 nan 0.000 0.528 2942 G N -0.169 108.519 108.800 -0.186 0.000 2.132 2942 G HA2 -0.278 3.683 3.960 0.001 0.000 0.234 2942 G HA3 -0.278 3.683 3.960 0.001 0.000 0.234 2942 G C 0.875 175.735 174.900 -0.067 0.000 0.989 2942 G CA 0.684 45.711 45.100 -0.122 0.000 0.676 2942 G HN 0.741 nan 8.290 nan 0.000 0.522 2943 T N -3.068 111.450 114.554 -0.060 0.000 3.091 2943 T HA 0.636 4.987 4.350 0.001 0.000 0.277 2943 T C 1.106 175.782 174.700 -0.041 0.000 0.996 2943 T CA 1.021 63.093 62.100 -0.048 0.000 0.897 2943 T CB 1.077 69.911 68.868 -0.057 0.000 1.109 2943 T HN 1.760 nan 8.240 nan 0.000 0.534 2944 G N 1.087 109.880 108.800 -0.013 0.000 2.694 2944 G HA2 0.622 4.583 3.960 0.001 0.000 0.246 2944 G HA3 0.622 4.583 3.960 0.001 0.000 0.246 2944 G C -1.650 173.331 174.900 0.134 0.000 1.205 2944 G CA -0.538 44.535 45.100 -0.046 0.000 0.891 2944 G HN 0.629 nan 8.290 nan 0.000 0.515 2945 F N -2.220 117.803 119.950 0.121 0.000 2.877 2945 F HA 0.885 5.413 4.527 0.001 0.000 0.319 2945 F C -0.577 175.384 175.800 0.267 0.000 1.174 2945 F CA -1.310 56.816 58.000 0.211 0.000 0.903 2945 F CB 1.172 40.269 39.000 0.162 0.000 1.357 2945 F HN 1.127 nan 8.300 nan 0.000 0.472 2946 A N 1.006 124.214 122.820 0.646 0.000 2.386 2946 A HA 0.718 5.039 4.320 0.001 0.000 0.311 2946 A C -1.223 176.688 177.584 0.545 0.000 1.068 2946 A CA -0.959 51.379 52.037 0.503 0.000 0.743 2946 A CB 1.726 21.059 19.000 0.556 0.000 1.258 2946 A HN 0.820 nan 8.150 nan 0.000 0.429 2947 K N 2.462 123.082 120.400 0.367 0.000 2.360 2947 K HA 0.498 4.818 4.320 0.001 0.000 0.235 2947 K C 0.993 177.602 176.600 0.015 0.000 1.077 2947 K CA 0.186 56.557 56.287 0.141 0.000 1.035 2947 K CB 0.353 32.961 32.500 0.180 0.000 1.623 2947 K HN 0.820 nan 8.250 nan 0.000 0.462 2948 A N 2.797 125.595 122.820 -0.037 0.000 1.849 2948 A HA -0.147 4.174 4.320 0.001 0.000 0.216 2948 A C 0.902 178.398 177.584 -0.147 0.000 1.225 2948 A CA 2.006 53.954 52.037 -0.148 0.000 0.653 2948 A CB -0.619 18.223 19.000 -0.264 0.000 0.844 2948 A HN 0.495 nan 8.150 nan 0.000 0.453 2949 V N -5.421 114.388 119.914 -0.175 0.000 3.145 2949 V HA 0.883 5.004 4.120 0.001 0.000 0.311 2949 V C 0.190 176.222 176.094 -0.103 0.000 1.238 2949 V CA -0.373 61.863 62.300 -0.107 0.000 1.066 2949 V CB 1.064 32.849 31.823 -0.063 0.000 1.144 2949 V HN 1.102 nan 8.190 nan 0.000 0.465 2950 G N -1.986 106.798 108.800 -0.026 0.000 2.658 2950 G HA2 0.640 4.601 3.960 0.001 0.000 0.292 2950 G HA3 0.640 4.601 3.960 0.001 0.000 0.292 2950 G C 0.547 175.478 174.900 0.051 0.000 1.320 2950 G CA -0.367 44.726 45.100 -0.011 0.000 0.933 2950 G HN 2.257 nan 8.290 nan 0.000 0.476 2951 G N -1.102 107.728 108.800 0.051 0.000 2.225 2951 G HA2 -0.242 3.719 3.960 0.001 0.000 0.267 2951 G HA3 -0.242 3.719 3.960 0.001 0.000 0.267 2951 G C 0.183 175.125 174.900 0.069 0.000 1.024 2951 G CA 0.512 45.642 45.100 0.051 0.000 0.784 2951 G HN 0.917 nan 8.290 nan 0.000 0.507 2952 F N 1.044 120.973 119.950 -0.035 0.000 2.495 2952 F HA 0.490 5.018 4.527 0.001 0.000 0.365 2952 F C 0.973 176.770 175.800 -0.005 0.000 1.090 2952 F CA -0.038 57.947 58.000 -0.026 0.000 1.235 2952 F CB 0.664 39.639 39.000 -0.042 0.000 1.119 2952 F HN 0.036 nan 8.300 nan 0.000 0.562 2953 K N 6.141 126.191 120.400 -0.582 0.000 2.473 2953 K HA 0.279 4.600 4.320 0.001 0.000 0.246 2953 K C 0.623 177.013 176.600 -0.350 0.000 1.011 2953 K CA -0.470 55.626 56.287 -0.318 0.000 0.984 2953 K CB 1.609 33.967 32.500 -0.238 0.000 1.250 2953 K HN 0.486 nan 8.250 nan 0.000 0.454 2954 V N 2.241 122.119 119.914 -0.061 0.000 2.252 2954 V HA -0.289 3.832 4.120 0.001 0.000 0.249 2954 V C 1.425 177.522 176.094 0.005 0.000 1.056 2954 V CA 2.296 64.637 62.300 0.069 0.000 1.022 2954 V CB -1.201 30.719 31.823 0.162 0.000 0.641 2954 V HN 1.174 nan 8.190 nan 0.000 0.445 2955 G N -0.721 108.077 108.800 -0.003 0.000 2.552 2955 G HA2 -0.302 3.659 3.960 0.001 0.000 0.265 2955 G HA3 -0.302 3.659 3.960 0.001 0.000 0.265 2955 G C 0.381 175.300 174.900 0.031 0.000 1.234 2955 G CA 0.354 45.452 45.100 -0.004 0.000 0.944 2955 G HN 0.341 nan 8.290 nan 0.000 0.568 2956 L N 0.490 121.728 121.223 0.025 0.000 2.022 2956 L HA 0.232 4.573 4.340 0.001 0.000 0.204 2956 L C 1.036 177.943 176.870 0.062 0.000 1.076 2956 L CA 1.538 56.402 54.840 0.040 0.000 0.749 2956 L CB -0.393 41.680 42.059 0.024 0.000 0.903 2956 L HN 0.509 nan 8.230 nan 0.000 0.439 2957 D N 0.137 120.571 120.400 0.056 0.000 2.185 2957 D HA 0.594 5.235 4.640 0.001 0.000 0.247 2957 D C -1.061 175.294 176.300 0.093 0.000 1.027 2957 D CA -0.269 53.776 54.000 0.076 0.000 0.861 2957 D CB 3.193 44.027 40.800 0.056 0.000 1.202 2957 D HN -0.189 nan 8.370 nan 0.000 0.453 2958 L N 1.651 122.953 121.223 0.132 0.000 2.592 2958 L HA 0.427 4.768 4.340 0.001 0.000 0.258 2958 L C -2.370 174.591 176.870 0.152 0.000 0.926 2958 L CA -0.710 54.225 54.840 0.158 0.000 0.885 2958 L CB 2.034 44.223 42.059 0.216 0.000 1.380 2958 L HN 0.306 nan 8.230 nan 0.000 0.415 2959 L N 5.261 126.552 121.223 0.114 0.000 2.365 2959 L HA 0.918 5.259 4.340 0.001 0.000 0.273 2959 L C -1.500 175.398 176.870 0.047 0.000 1.000 2959 L CA -0.413 54.462 54.840 0.059 0.000 0.819 2959 L CB 2.159 44.242 42.059 0.040 0.000 1.284 2959 L HN 0.406 nan 8.230 nan 0.000 0.418 2960 V N 4.267 124.170 119.914 -0.018 0.000 2.577 2960 V HA 0.575 4.696 4.120 0.001 0.000 0.303 2960 V C -0.742 175.347 176.094 -0.008 0.000 1.042 2960 V CA -0.590 61.715 62.300 0.009 0.000 0.872 2960 V CB 1.730 33.552 31.823 -0.002 0.000 0.998 2960 V HN 0.850 nan 8.190 nan 0.000 0.423 2961 E N 5.098 125.335 120.200 0.061 0.000 2.312 2961 E HA 0.900 5.251 4.350 0.001 0.000 0.267 2961 E C -1.256 175.450 176.600 0.177 0.000 0.894 2961 E CA -0.687 55.714 56.400 0.001 0.000 0.773 2961 E CB 3.116 32.811 29.700 -0.009 0.000 1.241 2961 E HN 0.597 nan 8.360 nan 0.000 0.432 2962 F N -1.805 118.159 119.950 0.024 0.000 2.919 2962 F HA 0.366 4.894 4.527 0.002 0.000 0.330 2962 F C -1.953 173.932 175.800 0.141 0.000 1.136 2962 F CA -1.026 57.023 58.000 0.083 0.000 0.901 2962 F CB 0.848 39.910 39.000 0.102 0.000 1.321 2962 F HN 0.313 nan 8.300 nan 0.000 0.449 2963 E N 1.545 121.997 120.200 0.419 0.000 2.238 2963 E HA 0.701 5.052 4.350 0.001 0.000 0.267 2963 E C -1.610 175.488 176.600 0.829 0.000 0.887 2963 E CA -0.907 55.732 56.400 0.398 0.000 0.769 2963 E CB 3.050 32.852 29.700 0.169 0.000 1.187 2963 E HN 0.590 nan 8.360 nan 0.000 0.416 2964 F N -0.221 120.108 119.950 0.632 0.000 2.685 2964 F HA 0.707 5.235 4.527 0.002 0.000 0.315 2964 F C -1.634 174.378 175.800 0.354 0.000 1.126 2964 F CA -1.146 57.200 58.000 0.577 0.000 0.950 2964 F CB 1.417 40.693 39.000 0.461 0.000 1.360 2964 F HN 0.386 nan 8.300 nan 0.000 0.469 2965 R N 1.127 121.733 120.500 0.178 0.000 2.561 2965 R HA 0.706 5.047 4.340 0.001 0.000 0.266 2965 R C -1.836 174.544 176.300 0.134 0.000 1.091 2965 R CA -0.736 55.277 56.100 -0.145 0.000 0.927 2965 R CB 1.640 31.530 30.300 -0.682 0.000 1.240 2965 R HN 1.012 nan 8.270 nan 0.000 0.449 2966 T N -0.469 114.184 114.554 0.165 0.000 2.816 2966 T HA 0.404 4.755 4.350 0.001 0.000 0.299 2966 T C -0.012 174.686 174.700 -0.003 0.000 1.230 2966 T CA -0.078 62.061 62.100 0.066 0.000 1.007 2966 T CB 1.928 70.942 68.868 0.243 0.000 1.289 2966 T HN 0.741 nan 8.240 nan 0.000 0.508 2967 T N 0.215 114.714 114.554 -0.091 0.000 3.084 2967 T HA 0.451 4.802 4.350 0.001 0.000 0.270 2967 T C 0.324 174.967 174.700 -0.094 0.000 1.008 2967 T CA -0.537 61.512 62.100 -0.085 0.000 0.900 2967 T CB 0.081 68.871 68.868 -0.130 0.000 1.084 2967 T HN 0.333 nan 8.240 nan 0.000 0.538 2968 R N 1.928 122.383 120.500 -0.075 0.000 2.711 2968 R HA 0.442 4.783 4.340 0.001 0.000 0.284 2968 R C -2.212 174.136 176.300 0.080 0.000 0.968 2968 R CA -2.655 53.425 56.100 -0.033 0.000 0.924 2968 R CB 1.412 31.649 30.300 -0.104 0.000 1.162 2968 R HN -0.025 nan 8.270 nan 0.000 0.465 2969 P HA 0.032 nan 4.420 nan 0.000 0.226 2969 P C -0.205 177.157 177.300 0.104 0.000 1.161 2969 P CA 0.587 63.754 63.100 0.111 0.000 0.804 2969 P CB 0.678 32.437 31.700 0.099 0.000 0.829 2970 T N -0.249 114.359 114.554 0.091 0.000 2.861 2970 T HA 0.665 5.016 4.350 0.001 0.000 0.287 2970 T C -0.248 174.499 174.700 0.079 0.000 1.003 2970 T CA -0.443 61.705 62.100 0.078 0.000 0.977 2970 T CB 1.907 70.812 68.868 0.062 0.000 0.996 2970 T HN 0.125 nan 8.240 nan 0.000 0.448 2971 G N 0.965 109.811 108.800 0.077 0.000 2.429 2971 G HA2 0.429 4.390 3.960 0.001 0.000 0.300 2971 G HA3 0.429 4.390 3.960 0.001 0.000 0.300 2971 G C -1.342 173.570 174.900 0.020 0.000 1.598 2971 G CA -0.731 44.420 45.100 0.085 0.000 0.863 2971 G HN 0.697 nan 8.290 nan 0.000 0.614 2972 V N 2.550 122.467 119.914 0.004 0.000 2.521 2972 V HA 0.192 4.313 4.120 0.001 0.000 0.286 2972 V C 1.333 177.295 176.094 -0.220 0.000 1.034 2972 V CA 0.141 62.419 62.300 -0.036 0.000 1.045 2972 V CB 0.933 32.792 31.823 0.060 0.000 0.974 2972 V HN 0.679 nan 8.190 nan 0.000 0.480 2973 L N 4.488 125.521 121.223 -0.317 0.000 2.265 2973 L HA 0.417 4.758 4.340 0.001 0.000 0.195 2973 L C 0.418 177.018 176.870 -0.450 0.000 1.083 2973 L CA 0.880 55.359 54.840 -0.600 0.000 0.798 2973 L CB 0.242 41.934 42.059 -0.611 0.000 0.989 2973 L HN 0.483 nan 8.230 nan 0.000 0.472 2974 L N -1.208 119.868 121.223 -0.245 0.000 2.540 2974 L HA 0.768 5.109 4.340 0.001 0.000 0.256 2974 L C -1.578 175.269 176.870 -0.039 0.000 1.001 2974 L CA -0.472 54.276 54.840 -0.154 0.000 0.843 2974 L CB 2.444 44.375 42.059 -0.214 0.000 1.436 2974 L HN -0.014 nan 8.230 nan 0.000 0.410 2975 G N 1.826 110.626 108.800 0.001 0.000 2.715 2975 G HA2 0.488 4.449 3.960 0.001 0.000 0.297 2975 G HA3 0.488 4.449 3.960 0.001 0.000 0.297 2975 G C -2.424 172.508 174.900 0.054 0.000 1.386 2975 G CA -0.290 44.818 45.100 0.013 0.000 1.157 2975 G HN 0.601 nan 8.290 nan 0.000 0.585 2976 V N 1.791 121.730 119.914 0.042 0.000 2.409 2976 V HA 0.854 4.975 4.120 0.001 0.000 0.290 2976 V C -0.542 175.598 176.094 0.076 0.000 1.017 2976 V CA -0.285 62.062 62.300 0.078 0.000 0.841 2976 V CB 1.298 33.175 31.823 0.091 0.000 1.003 2976 V HN 1.033 nan 8.190 nan 0.000 0.426 2977 S N 4.424 120.155 115.700 0.052 0.000 2.548 2977 S HA 0.705 5.175 4.470 0.001 0.000 0.286 2977 S C -0.352 174.269 174.600 0.034 0.000 1.098 2977 S CA 0.034 58.239 58.200 0.009 0.000 0.930 2977 S CB 2.102 65.190 63.200 -0.186 0.000 1.070 2977 S HN 1.273 nan 8.310 nan 0.000 0.480 2978 S N 2.020 117.785 115.700 0.107 0.000 2.669 2978 S HA 0.374 4.844 4.470 0.001 0.000 0.270 2978 S C 0.482 175.145 174.600 0.105 0.000 1.225 2978 S CA -0.253 58.022 58.200 0.125 0.000 0.991 2978 S CB 0.898 64.200 63.200 0.169 0.000 0.987 2978 S HN 0.749 nan 8.310 nan 0.000 0.552 2979 Q N 0.846 120.707 119.800 0.102 0.000 2.384 2979 Q HA 0.160 4.500 4.340 0.001 0.000 0.207 2979 Q C 1.548 177.701 176.000 0.255 0.000 0.904 2979 Q CA 0.470 56.315 55.803 0.070 0.000 0.933 2979 Q CB -0.004 28.746 28.738 0.021 0.000 1.077 2979 Q HN 0.805 nan 8.270 nan 0.000 0.522 2980 K N -0.633 119.927 120.400 0.267 0.000 2.056 2980 K HA 0.052 4.373 4.320 0.001 0.000 0.205 2980 K C 0.645 177.339 176.600 0.156 0.000 1.035 2980 K CA 0.687 57.087 56.287 0.188 0.000 0.955 2980 K CB 0.432 32.986 32.500 0.091 0.000 0.769 2980 K HN 0.050 nan 8.250 nan 0.000 0.447 2981 M N -0.194 119.471 119.600 0.109 0.000 3.472 2981 M HA 0.208 4.689 4.480 0.001 0.000 0.293 2981 M C -2.055 174.214 176.300 -0.051 0.000 1.316 2981 M CA -0.331 54.742 55.300 -0.379 0.000 0.857 2981 M CB 1.699 34.127 32.600 -0.286 0.000 1.708 2981 M HN 0.304 nan 8.290 nan 0.000 0.505 2982 D N 0.180 120.490 120.400 -0.150 0.000 10.830 2982 D HA 0.353 4.994 4.640 0.001 0.000 0.342 2982 D C -0.625 175.814 176.300 0.232 0.000 3.116 2982 D CA 2.182 56.212 54.000 0.049 0.000 2.688 2982 D CB -0.710 40.122 40.800 0.053 0.000 1.183 2982 D HN 1.161 nan 8.370 nan 0.000 0.934 2983 G N -0.377 108.515 108.800 0.153 0.000 2.355 2983 G HA2 0.554 4.515 3.960 0.001 0.000 0.296 2983 G HA3 0.554 4.515 3.960 0.001 0.000 0.296 2983 G C -1.679 173.261 174.900 0.067 0.000 1.507 2983 G CA -0.495 44.689 45.100 0.140 0.000 0.823 2983 G HN 0.511 nan 8.290 nan 0.000 0.569 2984 M N 0.545 120.187 119.600 0.069 0.000 2.501 2984 M HA 0.798 5.279 4.480 0.001 0.000 0.293 2984 M C -0.650 175.710 176.300 0.099 0.000 1.192 2984 M CA -0.358 54.989 55.300 0.079 0.000 0.886 2984 M CB 1.727 34.418 32.600 0.151 0.000 1.710 2984 M HN 1.575 nan 8.290 nan 0.000 0.457 2985 G N 3.853 112.748 108.800 0.157 0.000 2.698 2985 G HA2 0.747 4.708 3.960 0.001 0.000 0.293 2985 G HA3 0.747 4.708 3.960 0.001 0.000 0.293 2985 G C -2.111 172.951 174.900 0.270 0.000 1.437 2985 G CA -0.617 44.578 45.100 0.159 0.000 0.852 2985 G HN 0.708 nan 8.290 nan 0.000 0.499 2986 I N 0.924 121.596 120.570 0.170 0.000 2.534 2986 I HA 0.526 4.697 4.170 0.001 0.000 0.288 2986 I C -0.240 175.910 176.117 0.056 0.000 1.077 2986 I CA -0.646 60.744 61.300 0.150 0.000 1.051 2986 I CB 2.324 40.389 38.000 0.107 0.000 1.234 2986 I HN 0.860 nan 8.210 nan 0.000 0.425 2987 E N 6.451 126.692 120.200 0.068 0.000 2.435 2987 E HA 0.681 5.031 4.350 0.001 0.000 0.272 2987 E C -1.675 174.929 176.600 0.008 0.000 1.031 2987 E CA -1.116 55.289 56.400 0.008 0.000 0.872 2987 E CB 2.854 32.601 29.700 0.078 0.000 1.588 2987 E HN 0.502 nan 8.360 nan 0.000 0.460 2988 M N 1.554 121.155 119.600 0.002 0.000 2.324 2988 M HA 0.511 4.992 4.480 0.001 0.000 0.288 2988 M C -2.148 174.188 176.300 0.061 0.000 1.097 2988 M CA -0.503 54.819 55.300 0.036 0.000 0.928 2988 M CB 1.785 34.395 32.600 0.017 0.000 1.648 2988 M HN 0.578 nan 8.290 nan 0.000 0.460 2989 I N 4.846 125.460 120.570 0.073 0.000 2.468 2989 I HA 0.310 4.481 4.170 0.001 0.000 0.284 2989 I C -0.811 175.343 176.117 0.061 0.000 1.038 2989 I CA -0.575 60.766 61.300 0.068 0.000 1.083 2989 I CB 1.773 39.817 38.000 0.072 0.000 1.223 2989 I HN 0.773 nan 8.210 nan 0.000 0.443 2990 D N 5.343 125.779 120.400 0.061 0.000 2.716 2990 D HA -0.186 4.455 4.640 0.001 0.000 0.239 2990 D C 0.666 176.999 176.300 0.055 0.000 1.125 2990 D CA 1.235 55.267 54.000 0.054 0.000 0.681 2990 D CB -0.634 40.189 40.800 0.039 0.000 1.070 2990 D HN 0.906 nan 8.370 nan 0.000 0.432 2991 E N -2.256 117.990 120.200 0.077 0.000 3.975 2991 E HA -0.262 4.088 4.350 0.001 0.000 0.342 2991 E C -0.100 176.545 176.600 0.075 0.000 0.677 2991 E CA 1.343 57.796 56.400 0.088 0.000 1.238 2991 E CB -0.478 29.264 29.700 0.070 0.000 1.665 2991 E HN 0.470 nan 8.360 nan 0.000 0.429 2992 K N 0.985 121.418 120.400 0.055 0.000 2.258 2992 K HA 0.371 4.692 4.320 0.001 0.000 0.284 2992 K C -0.038 176.618 176.600 0.092 0.000 1.051 2992 K CA -0.185 56.126 56.287 0.040 0.000 0.923 2992 K CB 1.126 33.636 32.500 0.018 0.000 1.046 2992 K HN 0.018 nan 8.250 nan 0.000 0.474 2993 L N 4.319 125.635 121.223 0.154 0.000 2.276 2993 L HA 0.338 4.679 4.340 0.001 0.000 0.286 2993 L C -0.332 176.609 176.870 0.119 0.000 1.061 2993 L CA -0.035 54.909 54.840 0.172 0.000 0.807 2993 L CB 0.629 42.857 42.059 0.282 0.000 1.177 2993 L HN 0.497 nan 8.230 nan 0.000 0.429 2994 M N 4.593 124.227 119.600 0.057 0.000 2.395 2994 M HA 0.357 4.838 4.480 0.001 0.000 0.307 2994 M C -1.314 174.970 176.300 -0.026 0.000 1.091 2994 M CA -0.481 54.782 55.300 -0.061 0.000 0.919 2994 M CB 2.557 35.036 32.600 -0.202 0.000 1.662 2994 M HN 0.311 nan 8.290 nan 0.000 0.440 2995 F N 4.151 123.946 119.950 -0.260 0.000 2.366 2995 F HA 0.446 4.974 4.527 0.001 0.000 0.366 2995 F C -0.928 174.711 175.800 -0.268 0.000 1.096 2995 F CA -0.749 57.149 58.000 -0.169 0.000 1.060 2995 F CB 0.307 39.264 39.000 -0.072 0.000 1.282 2995 F HN 0.479 nan 8.300 nan 0.000 0.450 2996 H N 4.710 123.753 119.070 -0.045 0.000 2.467 2996 H HA 0.696 5.253 4.556 0.002 0.000 0.331 2996 H C -0.708 174.331 175.328 -0.482 0.000 1.120 2996 H CA -0.538 55.338 56.048 -0.287 0.000 1.270 2996 H CB 2.328 32.011 29.762 -0.132 0.000 1.466 2996 H HN 0.356 nan 8.280 nan 0.000 0.504 2997 V N 2.439 121.985 119.914 -0.614 0.000 2.888 2997 V HA 0.121 4.242 4.120 0.001 0.000 0.309 2997 V C -0.649 175.049 176.094 -0.659 0.000 1.114 2997 V CA -0.776 61.126 62.300 -0.663 0.000 0.940 2997 V CB 2.676 33.970 31.823 -0.881 0.000 1.021 2997 V HN 0.738 nan 8.190 nan 0.000 0.426 2998 D N 2.502 122.758 120.400 -0.240 0.000 2.386 2998 D HA 0.313 4.954 4.640 0.001 0.000 0.247 2998 D C -0.017 176.307 176.300 0.039 0.000 1.336 2998 D CA -0.334 53.633 54.000 -0.057 0.000 0.976 2998 D CB 1.118 41.894 40.800 -0.039 0.000 1.257 2998 D HN 0.422 nan 8.370 nan 0.000 0.570 2999 N N 1.803 120.592 118.700 0.148 0.000 2.383 2999 N HA 0.173 4.914 4.740 0.001 0.000 0.192 2999 N C 1.276 176.811 175.510 0.041 0.000 1.141 2999 N CA 0.767 53.878 53.050 0.102 0.000 0.851 2999 N CB 0.946 39.514 38.487 0.135 0.000 0.976 2999 N HN 0.734 nan 8.380 nan 0.000 0.465 3000 G N -0.451 108.354 108.800 0.008 0.000 2.192 3000 G HA2 -0.210 3.751 3.960 0.001 0.000 0.193 3000 G HA3 -0.210 3.751 3.960 0.001 0.000 0.193 3000 G C 0.684 175.562 174.900 -0.035 0.000 0.999 3000 G CA 0.150 45.222 45.100 -0.045 0.000 0.659 3000 G HN 0.473 nan 8.290 nan 0.000 0.503 3001 A N -0.286 122.538 122.820 0.007 0.000 2.343 3001 A HA 0.764 5.084 4.320 0.001 0.000 0.223 3001 A C 1.486 179.082 177.584 0.019 0.000 1.214 3001 A CA 1.533 53.570 52.037 0.000 0.000 0.900 3001 A CB 0.340 19.335 19.000 -0.007 0.000 0.942 3001 A HN 2.409 nan 8.150 nan 0.000 0.507 3002 G N -0.798 108.029 108.800 0.045 0.000 2.340 3002 G HA2 0.260 4.221 3.960 0.001 0.000 0.527 3002 G HA3 0.260 4.221 3.960 0.001 0.000 0.527 3002 G C -0.827 174.158 174.900 0.142 0.000 1.381 3002 G CA -0.547 44.588 45.100 0.058 0.000 1.001 3002 G HN 0.579 nan 8.290 nan 0.000 0.626 3003 R N -0.058 120.496 120.500 0.089 0.000 2.221 3003 R HA 0.695 5.036 4.340 0.001 0.000 0.327 3003 R C -0.214 176.168 176.300 0.136 0.000 1.033 3003 R CA -0.744 55.383 56.100 0.044 0.000 0.887 3003 R CB 0.169 30.458 30.300 -0.019 0.000 1.057 3003 R HN 0.718 nan 8.270 nan 0.000 0.455 3004 F N 0.678 120.628 119.950 0.001 0.000 2.508 3004 F HA 0.670 5.197 4.527 0.001 0.000 0.325 3004 F C -0.815 174.968 175.800 -0.029 0.000 1.090 3004 F CA -0.921 57.072 58.000 -0.012 0.000 0.945 3004 F CB 2.062 41.038 39.000 -0.041 0.000 1.156 3004 F HN 0.214 nan 8.300 nan 0.000 0.463 3005 T N 1.373 115.938 114.554 0.018 0.000 2.906 3005 T HA 0.769 5.119 4.350 0.001 0.000 0.295 3005 T C -1.066 173.599 174.700 -0.058 0.000 1.061 3005 T CA -0.834 61.186 62.100 -0.133 0.000 1.000 3005 T CB 1.827 70.608 68.868 -0.144 0.000 1.103 3005 T HN 0.935 nan 8.240 nan 0.000 0.486 3006 A N 2.448 125.220 122.820 -0.080 0.000 2.291 3006 A HA 0.787 5.108 4.320 0.001 0.000 0.311 3006 A C -0.581 177.028 177.584 0.042 0.000 1.224 3006 A CA -0.649 51.412 52.037 0.040 0.000 0.821 3006 A CB 0.038 19.117 19.000 0.132 0.000 1.172 3006 A HN 0.795 nan 8.150 nan 0.000 0.494 3007 I N 2.063 122.664 120.570 0.050 0.000 2.412 3007 I HA 0.308 4.479 4.170 0.001 0.000 0.296 3007 I C -0.797 175.398 176.117 0.130 0.000 0.987 3007 I CA -0.743 60.594 61.300 0.062 0.000 1.180 3007 I CB 1.604 39.619 38.000 0.025 0.000 1.340 3007 I HN 0.705 nan 8.210 nan 0.000 0.455 3008 Y N 5.499 125.814 120.300 0.026 0.000 2.328 3008 Y HA 0.456 5.006 4.550 0.001 0.000 0.337 3008 Y C -1.014 174.905 175.900 0.033 0.000 0.966 3008 Y CA -0.952 57.167 58.100 0.032 0.000 1.136 3008 Y CB 1.070 39.552 38.460 0.037 0.000 1.170 3008 Y HN 0.493 nan 8.280 nan 0.000 0.470 3009 D N 4.369 124.391 120.400 -0.630 0.000 2.408 3009 D HA 0.447 5.088 4.640 0.001 0.000 0.243 3009 D C 0.106 175.934 176.300 -0.786 0.000 1.075 3009 D CA -0.161 53.514 54.000 -0.541 0.000 0.832 3009 D CB 1.955 42.616 40.800 -0.233 0.000 1.162 3009 D HN 0.703 nan 8.370 nan 0.000 0.515 3010 A N 3.624 126.050 122.820 -0.656 0.000 2.208 3010 A HA 0.064 4.385 4.320 0.001 0.000 0.209 3010 A C 1.261 178.721 177.584 -0.208 0.000 1.161 3010 A CA 0.994 52.796 52.037 -0.391 0.000 0.782 3010 A CB -0.399 18.563 19.000 -0.063 0.000 0.816 3010 A HN 0.834 nan 8.150 nan 0.000 0.477 3011 E N -1.705 118.393 120.200 -0.171 0.000 5.171 3011 E HA -0.258 4.093 4.350 0.001 0.000 0.184 3011 E C -0.106 176.457 176.600 -0.061 0.000 1.101 3011 E CA 1.629 57.969 56.400 -0.100 0.000 2.026 3011 E CB -1.642 28.004 29.700 -0.091 0.000 1.810 3011 E HN 0.668 nan 8.360 nan 0.000 0.414 3012 I N 3.535 124.064 120.570 -0.068 0.000 2.363 3012 I HA 0.129 4.300 4.170 0.001 0.000 0.292 3012 I C -2.211 173.935 176.117 0.048 0.000 1.075 3012 I CA -1.693 59.593 61.300 -0.023 0.000 1.333 3012 I CB 0.251 38.208 38.000 -0.071 0.000 1.415 3012 I HN -0.123 nan 8.210 nan 0.000 0.502 3013 P HA 0.005 nan 4.420 nan 0.000 0.264 3013 P C 0.834 178.185 177.300 0.085 0.000 1.183 3013 P CA 0.618 63.750 63.100 0.054 0.000 0.763 3013 P CB 0.584 32.304 31.700 0.034 0.000 0.807 3014 G N 1.800 110.653 108.800 0.088 0.000 2.155 3014 G HA2 -0.352 3.609 3.960 0.001 0.000 0.257 3014 G HA3 -0.352 3.609 3.960 0.001 0.000 0.257 3014 G C 0.995 175.962 174.900 0.112 0.000 0.983 3014 G CA 0.824 45.978 45.100 0.090 0.000 0.676 3014 G HN 0.664 nan 8.290 nan 0.000 0.528 3015 H N -0.315 118.783 119.070 0.047 0.000 2.343 3015 H HA 0.227 4.784 4.556 0.001 0.000 0.303 3015 H C 2.640 177.999 175.328 0.053 0.000 1.068 3015 H CA 1.920 58.006 56.048 0.063 0.000 1.359 3015 H CB 0.006 29.793 29.762 0.042 0.000 1.402 3015 H HN 0.321 nan 8.280 nan 0.000 0.515 3016 M N 0.157 119.721 119.600 -0.059 0.000 2.394 3016 M HA -0.001 4.480 4.480 0.001 0.000 0.264 3016 M C 1.200 177.519 176.300 0.033 0.000 1.073 3016 M CA 0.523 55.702 55.300 -0.202 0.000 1.111 3016 M CB -0.834 31.787 32.600 0.036 0.000 1.401 3016 M HN 0.571 nan 8.290 nan 0.000 0.448 3017 c N 0.481 119.130 118.600 0.082 0.000 2.667 3017 c HA 0.415 4.986 4.570 0.001 0.000 0.261 3017 c C 0.994 175.116 174.090 0.053 0.000 1.590 3017 c CA -1.081 55.312 56.329 0.107 0.000 1.668 3017 c CB -1.848 40.732 42.510 0.116 0.000 2.962 3017 c HN 0.509 nan 8.230 nan 0.000 0.525 3018 N N 0.631 119.352 118.700 0.035 0.000 2.313 3018 N HA 0.211 4.952 4.740 0.001 0.000 0.207 3018 N C 1.331 176.812 175.510 -0.048 0.000 1.141 3018 N CA 0.417 53.466 53.050 -0.001 0.000 0.830 3018 N CB -0.240 38.237 38.487 -0.016 0.000 1.008 3018 N HN 1.052 nan 8.380 nan 0.000 0.481 3019 G N -0.321 108.438 108.800 -0.069 0.000 2.189 3019 G HA2 -0.318 3.643 3.960 0.001 0.000 0.267 3019 G HA3 -0.318 3.643 3.960 0.001 0.000 0.267 3019 G C -0.283 174.474 174.900 -0.238 0.000 0.975 3019 G CA 0.454 45.469 45.100 -0.141 0.000 0.644 3019 G HN 0.547 nan 8.290 nan 0.000 0.537 3020 Q N -1.276 118.373 119.800 -0.251 0.000 2.257 3020 Q HA 0.521 4.862 4.340 0.001 0.000 0.262 3020 Q C -0.332 175.362 176.000 -0.509 0.000 0.997 3020 Q CA -1.116 54.482 55.803 -0.340 0.000 0.873 3020 Q CB 1.143 29.721 28.738 -0.266 0.000 1.312 3020 Q HN 0.367 nan 8.270 nan 0.000 0.450 3021 W N 2.130 123.214 121.300 -0.360 0.000 2.223 3021 W HA 0.052 4.712 4.660 0.001 0.000 0.334 3021 W C 0.315 176.437 176.519 -0.662 0.000 1.334 3021 W CA 0.275 57.394 57.345 -0.377 0.000 1.246 3021 W CB 0.422 29.770 29.460 -0.186 0.000 1.184 3021 W HN 0.354 nan 8.180 nan 0.000 0.563 3022 H N 2.318 121.297 119.070 -0.153 0.000 2.529 3022 H HA 0.253 4.809 4.556 0.001 0.000 0.348 3022 H C -0.536 174.702 175.328 -0.150 0.000 1.079 3022 H CA -1.213 54.682 56.048 -0.255 0.000 1.198 3022 H CB 1.916 31.359 29.762 -0.532 0.000 1.521 3022 H HN 0.293 nan 8.280 nan 0.000 0.514 3023 K N 2.377 122.773 120.400 -0.007 0.000 2.205 3023 K HA 0.442 4.763 4.320 0.001 0.000 0.279 3023 K C -0.999 175.511 176.600 -0.149 0.000 1.027 3023 K CA -0.475 55.771 56.287 -0.068 0.000 0.932 3023 K CB 0.697 33.153 32.500 -0.074 0.000 1.032 3023 K HN 0.244 nan 8.250 nan 0.000 0.466 3024 V N 2.917 122.646 119.914 -0.307 0.000 2.760 3024 V HA 0.374 4.494 4.120 0.001 0.000 0.309 3024 V C -0.788 175.012 176.094 -0.490 0.000 1.077 3024 V CA -0.786 61.238 62.300 -0.460 0.000 0.910 3024 V CB 2.044 33.422 31.823 -0.743 0.000 1.008 3024 V HN 1.002 nan 8.190 nan 0.000 0.424 3025 T N 1.377 115.726 114.554 -0.341 0.000 2.928 3025 T HA 0.846 5.197 4.350 0.001 0.000 0.296 3025 T C -0.717 173.807 174.700 -0.294 0.000 1.000 3025 T CA -0.368 61.571 62.100 -0.268 0.000 0.989 3025 T CB 1.762 70.532 68.868 -0.163 0.000 1.005 3025 T HN 1.198 nan 8.240 nan 0.000 0.442 3026 A N 3.495 126.088 122.820 -0.379 0.000 2.311 3026 A HA 0.754 5.075 4.320 0.001 0.000 0.306 3026 A C -0.230 177.079 177.584 -0.459 0.000 1.189 3026 A CA -0.881 50.723 52.037 -0.723 0.000 0.791 3026 A CB 1.043 19.230 19.000 -1.355 0.000 1.172 3026 A HN 0.918 nan 8.150 nan 0.000 0.481 3027 K N 2.218 122.552 120.400 -0.111 0.000 2.270 3027 K HA 0.418 4.739 4.320 0.001 0.000 0.255 3027 K C -0.970 175.868 176.600 0.395 0.000 0.936 3027 K CA -0.611 55.751 56.287 0.125 0.000 0.809 3027 K CB 1.219 33.768 32.500 0.081 0.000 1.131 3027 K HN 0.565 nan 8.250 nan 0.000 0.427 3028 K N 5.884 126.496 120.400 0.354 0.000 2.449 3028 K HA 0.285 4.606 4.320 0.001 0.000 0.257 3028 K C -1.270 175.442 176.600 0.185 0.000 0.989 3028 K CA -0.636 55.837 56.287 0.310 0.000 0.916 3028 K CB 0.570 33.265 32.500 0.325 0.000 1.136 3028 K HN 0.529 nan 8.250 nan 0.000 0.439 3029 I N 5.883 126.543 120.570 0.150 0.000 2.412 3029 I HA 0.151 4.322 4.170 0.001 0.000 0.279 3029 I C 0.175 176.343 176.117 0.085 0.000 1.063 3029 I CA -0.318 61.042 61.300 0.100 0.000 1.193 3029 I CB 1.177 39.224 38.000 0.078 0.000 1.370 3029 I HN 0.725 nan 8.210 nan 0.000 0.479 3030 K N 2.930 123.380 120.400 0.083 0.000 3.238 3030 K HA -0.293 4.028 4.320 0.001 0.000 0.187 3030 K C 0.836 177.490 176.600 0.090 0.000 0.809 3030 K CA 1.917 58.243 56.287 0.065 0.000 0.511 3030 K CB -1.013 31.502 32.500 0.026 0.000 0.762 3030 K HN 0.541 nan 8.250 nan 0.000 0.754 3031 N N 1.084 119.792 118.700 0.013 0.000 2.236 3031 N HA 0.042 4.783 4.740 0.001 0.000 0.196 3031 N C -0.365 175.122 175.510 -0.039 0.000 1.114 3031 N CA 0.084 53.071 53.050 -0.104 0.000 0.859 3031 N CB 0.397 38.693 38.487 -0.319 0.000 0.982 3031 N HN 0.248 nan 8.380 nan 0.000 0.493 3032 R N 1.088 121.621 120.500 0.056 0.000 2.312 3032 R HA 0.400 4.741 4.340 0.001 0.000 0.311 3032 R C -0.853 175.540 176.300 0.156 0.000 1.004 3032 R CA -0.250 55.899 56.100 0.082 0.000 0.902 3032 R CB 0.623 30.956 30.300 0.056 0.000 1.073 3032 R HN -0.053 nan 8.270 nan 0.000 0.457 3033 L N 3.824 125.148 121.223 0.169 0.000 2.346 3033 L HA 0.473 4.814 4.340 0.001 0.000 0.274 3033 L C -0.451 176.557 176.870 0.230 0.000 1.007 3033 L CA -0.710 54.250 54.840 0.200 0.000 0.818 3033 L CB 2.163 44.243 42.059 0.036 0.000 1.284 3033 L HN 0.656 nan 8.230 nan 0.000 0.424 3034 E N 3.815 124.199 120.200 0.308 0.000 2.255 3034 E HA 0.379 4.730 4.350 0.001 0.000 0.256 3034 E C -1.461 175.237 176.600 0.163 0.000 0.887 3034 E CA -0.683 55.831 56.400 0.189 0.000 0.782 3034 E CB 2.945 32.714 29.700 0.116 0.000 1.214 3034 E HN 0.219 nan 8.360 nan 0.000 0.417 3035 L N 3.605 124.911 121.223 0.138 0.000 2.305 3035 L HA 0.400 4.741 4.340 0.001 0.000 0.284 3035 L C -1.371 175.476 176.870 -0.040 0.000 1.013 3035 L CA -0.747 54.113 54.840 0.033 0.000 0.819 3035 L CB 1.549 43.678 42.059 0.117 0.000 1.227 3035 L HN 0.280 nan 8.230 nan 0.000 0.417 3036 V N 5.938 125.781 119.914 -0.120 0.000 2.378 3036 V HA 0.511 4.632 4.120 0.001 0.000 0.288 3036 V C -0.458 175.484 176.094 -0.253 0.000 1.016 3036 V CA -0.685 61.520 62.300 -0.158 0.000 0.840 3036 V CB 1.620 33.374 31.823 -0.115 0.000 0.994 3036 V HN 0.482 nan 8.190 nan 0.000 0.431 3037 V N 3.941 123.603 119.914 -0.420 0.000 2.378 3037 V HA 0.447 4.568 4.120 0.001 0.000 0.288 3037 V C 0.290 176.135 176.094 -0.414 0.000 1.016 3037 V CA -0.526 61.468 62.300 -0.511 0.000 0.840 3037 V CB 1.261 32.526 31.823 -0.929 0.000 0.994 3037 V HN 0.982 nan 8.190 nan 0.000 0.431 3038 D N 4.302 124.598 120.400 -0.173 0.000 2.811 3038 D HA -0.223 4.418 4.640 0.001 0.000 0.231 3038 D C 1.311 177.576 176.300 -0.059 0.000 1.157 3038 D CA 1.693 55.666 54.000 -0.045 0.000 0.716 3038 D CB -1.054 39.798 40.800 0.087 0.000 1.077 3038 D HN 1.398 nan 8.370 nan 0.000 0.428 3039 G N -0.661 108.079 108.800 -0.101 0.000 2.213 3039 G HA2 -0.299 3.662 3.960 0.001 0.000 0.236 3039 G HA3 -0.299 3.662 3.960 0.001 0.000 0.236 3039 G C 0.087 174.947 174.900 -0.067 0.000 0.991 3039 G CA 0.081 45.141 45.100 -0.067 0.000 0.629 3039 G HN 0.384 nan 8.290 nan 0.000 0.517 3040 N N 1.380 120.011 118.700 -0.114 0.000 2.408 3040 N HA 0.356 5.097 4.740 0.001 0.000 0.257 3040 N C 0.089 175.556 175.510 -0.071 0.000 1.064 3040 N CA 0.061 53.078 53.050 -0.056 0.000 0.952 3040 N CB 1.490 39.997 38.487 0.032 0.000 1.093 3040 N HN 0.714 nan 8.380 nan 0.000 0.490 3041 Q N 1.519 121.318 119.800 -0.002 0.000 2.259 3041 Q HA 0.510 4.851 4.340 0.001 0.000 0.246 3041 Q C -1.280 174.761 176.000 0.068 0.000 0.920 3041 Q CA -0.522 55.290 55.803 0.015 0.000 0.895 3041 Q CB 0.964 29.711 28.738 0.015 0.000 1.220 3041 Q HN 0.294 nan 8.270 nan 0.000 0.439 3042 V N 3.538 123.500 119.914 0.079 0.000 2.711 3042 V HA 0.359 4.480 4.120 0.001 0.000 0.304 3042 V C -1.241 174.914 176.094 0.102 0.000 1.097 3042 V CA -0.968 61.395 62.300 0.105 0.000 0.906 3042 V CB 2.044 33.956 31.823 0.148 0.000 1.015 3042 V HN 0.863 nan 8.190 nan 0.000 0.427 3043 D N 2.758 123.211 120.400 0.089 0.000 2.299 3043 D HA 0.870 5.511 4.640 0.001 0.000 0.243 3043 D C -0.238 176.115 176.300 0.089 0.000 0.982 3043 D CA -0.241 53.815 54.000 0.093 0.000 0.924 3043 D CB 2.628 43.471 40.800 0.071 0.000 1.238 3043 D HN 0.830 nan 8.370 nan 0.000 0.484 3044 A N 0.868 123.748 122.820 0.101 0.000 2.486 3044 A HA 0.571 4.892 4.320 0.001 0.000 0.300 3044 A C -1.289 176.353 177.584 0.097 0.000 1.048 3044 A CA -0.640 51.460 52.037 0.104 0.000 0.696 3044 A CB 2.096 21.175 19.000 0.132 0.000 1.278 3044 A HN 0.352 nan 8.150 nan 0.000 0.405 3045 Q N 0.764 120.586 119.800 0.036 0.000 2.271 3045 Q HA 0.584 4.925 4.340 0.001 0.000 0.268 3045 Q C -0.947 174.944 176.000 -0.181 0.000 1.021 3045 Q CA -0.099 55.666 55.803 -0.063 0.000 0.802 3045 Q CB 2.054 30.766 28.738 -0.044 0.000 1.282 3045 Q HN 0.970 nan 8.270 nan 0.000 0.431 3046 S N 4.435 119.864 115.700 -0.451 0.000 2.499 3046 S HA 0.543 5.013 4.470 0.001 0.000 0.279 3046 S C -1.783 172.616 174.600 -0.335 0.000 1.219 3046 S CA -1.407 56.458 58.200 -0.560 0.000 1.062 3046 S CB 0.798 63.198 63.200 -1.334 0.000 0.978 3046 S HN 0.703 nan 8.310 nan 0.000 0.489 3047 P HA 0.088 nan 4.420 nan 0.000 0.249 3047 P C -0.521 176.701 177.300 -0.131 0.000 1.229 3047 P CA 0.018 63.036 63.100 -0.138 0.000 0.788 3047 P CB -0.075 31.570 31.700 -0.091 0.000 1.072 3048 N N 1.039 119.637 118.700 -0.170 0.000 2.895 3048 N HA 0.025 4.766 4.740 0.001 0.000 0.277 3048 N C 1.111 176.548 175.510 -0.121 0.000 1.185 3048 N CA 0.206 53.180 53.050 -0.126 0.000 1.106 3048 N CB 0.141 38.559 38.487 -0.116 0.000 1.422 3048 N HN 0.195 nan 8.380 nan 0.000 0.521 3049 S N -0.629 115.014 115.700 -0.094 0.000 2.547 3049 S HA -0.064 4.407 4.470 0.001 0.000 0.235 3049 S C 1.749 176.318 174.600 -0.051 0.000 0.980 3049 S CA 0.325 58.481 58.200 -0.074 0.000 0.941 3049 S CB 0.078 63.242 63.200 -0.060 0.000 0.763 3049 S HN 0.445 nan 8.310 nan 0.000 0.532 3050 A N 0.905 123.698 122.820 -0.046 0.000 2.168 3050 A HA 0.317 4.637 4.320 0.001 0.000 0.215 3050 A C 0.979 178.548 177.584 -0.026 0.000 1.152 3050 A CA 0.307 52.325 52.037 -0.032 0.000 0.716 3050 A CB -0.121 18.861 19.000 -0.030 0.000 0.794 3050 A HN 0.423 nan 8.150 nan 0.000 0.465 3051 S N -0.641 115.041 115.700 -0.029 0.000 2.774 3051 S HA 0.413 4.884 4.470 0.001 0.000 0.297 3051 S C 0.462 175.062 174.600 -0.001 0.000 1.143 3051 S CA 0.033 58.227 58.200 -0.009 0.000 1.090 3051 S CB 1.475 64.674 63.200 -0.001 0.000 1.019 3051 S HN 0.512 nan 8.310 nan 0.000 0.482 3052 T N -1.812 112.748 114.554 0.011 0.000 3.058 3052 T HA 0.287 4.638 4.350 0.001 0.000 0.278 3052 T C 0.457 175.188 174.700 0.051 0.000 0.974 3052 T CA -0.218 61.897 62.100 0.025 0.000 0.893 3052 T CB 0.401 69.272 68.868 0.005 0.000 1.138 3052 T HN 0.413 nan 8.240 nan 0.000 0.529 3053 S N 1.087 116.813 115.700 0.043 0.000 2.473 3053 S HA 0.716 5.187 4.470 0.001 0.000 0.307 3053 S C -0.290 174.340 174.600 0.050 0.000 1.094 3053 S CA -0.566 57.660 58.200 0.044 0.000 1.070 3053 S CB 1.067 64.281 63.200 0.023 0.000 1.019 3053 S HN 0.591 nan 8.310 nan 0.000 0.480 3054 A N 4.267 127.123 122.820 0.060 0.000 2.807 3054 A HA 0.306 4.627 4.320 0.001 0.000 0.307 3054 A C -0.040 177.576 177.584 0.053 0.000 1.532 3054 A CA -0.541 51.534 52.037 0.064 0.000 1.215 3054 A CB -0.301 18.747 19.000 0.080 0.000 1.127 3054 A HN 0.853 nan 8.150 nan 0.000 0.543 3055 D N 3.431 123.856 120.400 0.041 0.000 2.482 3055 D HA 0.076 4.716 4.640 0.001 0.000 0.244 3055 D C 0.737 177.066 176.300 0.049 0.000 1.242 3055 D CA 0.805 54.825 54.000 0.032 0.000 1.097 3055 D CB 0.280 41.093 40.800 0.022 0.000 1.109 3055 D HN 0.635 nan 8.370 nan 0.000 0.510 3056 T N -0.986 113.598 114.554 0.050 0.000 2.927 3056 T HA 0.444 4.795 4.350 0.001 0.000 0.286 3056 T C 0.257 174.981 174.700 0.041 0.000 1.040 3056 T CA -0.902 61.240 62.100 0.070 0.000 1.010 3056 T CB 2.431 71.366 68.868 0.113 0.000 1.177 3056 T HN 0.059 nan 8.240 nan 0.000 0.546 3057 N N 0.609 119.343 118.700 0.058 0.000 2.657 3057 N HA 0.216 4.956 4.740 0.001 0.000 0.234 3057 N C -1.960 173.588 175.510 0.063 0.000 1.433 3057 N CA -0.183 52.891 53.050 0.040 0.000 1.078 3057 N CB 0.376 38.877 38.487 0.023 0.000 1.508 3057 N HN 0.758 nan 8.380 nan 0.000 0.547 3058 D N -0.536 119.920 120.400 0.094 0.000 2.585 3058 D HA 0.591 5.232 4.640 0.001 0.000 0.254 3058 D C -2.522 173.807 176.300 0.047 0.000 1.067 3058 D CA -1.301 52.751 54.000 0.087 0.000 1.090 3058 D CB 1.423 42.292 40.800 0.116 0.000 1.408 3058 D HN 0.023 nan 8.370 nan 0.000 0.554 3059 P HA 0.221 nan 4.420 nan 0.000 0.274 3059 P C -0.921 176.094 177.300 -0.474 0.000 1.256 3059 P CA -0.457 62.430 63.100 -0.354 0.000 0.795 3059 P CB 0.617 31.905 31.700 -0.686 0.000 1.038 3060 V N 2.066 121.662 119.914 -0.529 0.000 2.313 3060 V HA 0.306 4.426 4.120 0.001 0.000 0.278 3060 V C -0.376 175.455 176.094 -0.438 0.000 1.017 3060 V CA -0.206 61.843 62.300 -0.418 0.000 0.823 3060 V CB -0.524 31.033 31.823 -0.444 0.000 1.010 3060 V HN 0.345 nan 8.190 nan 0.000 0.443 3061 F N 3.695 123.620 119.950 -0.040 0.000 2.385 3061 F HA 0.628 5.157 4.527 0.002 0.000 0.336 3061 F C 0.262 176.076 175.800 0.023 0.000 1.100 3061 F CA -0.663 57.352 58.000 0.025 0.000 1.116 3061 F CB 1.538 40.515 39.000 -0.037 0.000 1.166 3061 F HN 0.153 nan 8.300 nan 0.000 0.511 3062 V N 1.821 121.897 119.914 0.270 0.000 2.483 3062 V HA 0.617 4.738 4.120 0.001 0.000 0.297 3062 V C 0.427 176.541 176.094 0.034 0.000 1.027 3062 V CA -0.306 62.054 62.300 0.101 0.000 0.855 3062 V CB 0.945 32.911 31.823 0.239 0.000 0.995 3062 V HN 1.020 nan 8.190 nan 0.000 0.424 3063 G N 3.305 111.972 108.800 -0.222 0.000 2.225 3063 G HA2 0.100 4.061 3.960 0.001 0.000 0.254 3063 G HA3 0.100 4.061 3.960 0.001 0.000 0.254 3063 G C 0.593 175.507 174.900 0.024 0.000 0.988 3063 G CA 0.044 44.981 45.100 -0.271 0.000 0.625 3063 G HN 1.993 nan 8.290 nan 0.000 0.527 3064 G N -1.249 107.635 108.800 0.139 0.000 2.323 3064 G HA2 0.770 4.731 3.960 0.001 0.000 0.291 3064 G HA3 0.770 4.731 3.960 0.001 0.000 0.291 3064 G C -0.950 173.934 174.900 -0.026 0.000 1.278 3064 G CA 0.019 45.155 45.100 0.059 0.000 0.860 3064 G HN 1.758 nan 8.290 nan 0.000 0.504 3065 F N -2.888 116.738 119.950 -0.539 0.000 2.719 3065 F HA 0.755 5.283 4.527 0.001 0.000 0.309 3065 F C -3.072 172.067 175.800 -1.103 0.000 1.138 3065 F CA -2.374 54.920 58.000 -1.176 0.000 0.943 3065 F CB 0.571 39.006 39.000 -0.941 0.000 1.304 3065 F HN 0.461 nan 8.300 nan 0.000 0.445 3066 P HA 0.197 nan 4.420 nan 0.000 0.264 3066 P C 0.180 177.343 177.300 -0.228 0.000 1.183 3066 P CA 0.438 63.267 63.100 -0.451 0.000 0.763 3066 P CB 0.531 32.037 31.700 -0.324 0.000 0.807 3067 G N 1.669 110.382 108.800 -0.145 0.000 2.544 3067 G HA2 0.367 4.327 3.960 0.001 0.000 0.242 3067 G HA3 0.367 4.327 3.960 0.001 0.000 0.242 3067 G C 1.055 175.925 174.900 -0.050 0.000 1.247 3067 G CA 0.173 45.210 45.100 -0.106 0.000 0.840 3067 G HN 0.837 nan 8.290 nan 0.000 0.578 3068 G N 0.457 109.241 108.800 -0.026 0.000 2.363 3068 G HA2 -0.267 3.694 3.960 0.001 0.000 0.238 3068 G HA3 -0.267 3.694 3.960 0.001 0.000 0.238 3068 G C 0.659 175.532 174.900 -0.045 0.000 1.062 3068 G CA 0.380 45.464 45.100 -0.026 0.000 0.629 3068 G HN 0.747 nan 8.290 nan 0.000 0.514 3069 L N 1.252 122.438 121.223 -0.062 0.000 2.467 3069 L HA 0.294 4.635 4.340 0.001 0.000 0.270 3069 L C 0.336 177.061 176.870 -0.241 0.000 1.205 3069 L CA -0.622 54.128 54.840 -0.151 0.000 0.828 3069 L CB 0.374 42.292 42.059 -0.234 0.000 1.101 3069 L HN 0.204 nan 8.230 nan 0.000 0.479 3070 N N 2.181 120.658 118.700 -0.371 0.000 2.498 3070 N HA 0.217 4.958 4.740 0.001 0.000 0.287 3070 N C -0.765 174.270 175.510 -0.791 0.000 1.097 3070 N CA -0.338 52.350 53.050 -0.603 0.000 0.973 3070 N CB 1.564 39.561 38.487 -0.816 0.000 1.153 3070 N HN 0.410 nan 8.380 nan 0.000 0.472 3071 Q N 2.391 121.687 119.800 -0.840 0.000 3.090 3071 Q HA 0.214 4.555 4.340 0.001 0.000 0.241 3071 Q C 0.065 175.766 176.000 -0.499 0.000 0.958 3071 Q CA -0.251 55.102 55.803 -0.749 0.000 0.715 3071 Q CB 0.227 28.317 28.738 -1.081 0.000 1.298 3071 Q HN 0.601 nan 8.270 nan 0.000 0.468 3072 F N -0.554 119.278 119.950 -0.196 0.000 2.664 3072 F HA -0.036 4.492 4.527 0.001 0.000 0.297 3072 F C 1.824 177.523 175.800 -0.168 0.000 1.164 3072 F CA 0.640 58.547 58.000 -0.154 0.000 1.472 3072 F CB 0.445 39.384 39.000 -0.101 0.000 1.108 3072 F HN 0.469 nan 8.300 nan 0.000 0.596 3073 G N -0.245 108.519 108.800 -0.060 0.000 3.192 3073 G HA2 0.395 4.355 3.960 0.001 0.000 0.239 3073 G HA3 0.395 4.355 3.960 0.001 0.000 0.239 3073 G C 0.081 174.907 174.900 -0.124 0.000 1.084 3073 G CA -0.083 44.982 45.100 -0.059 0.000 0.784 3073 G HN 0.128 nan 8.290 nan 0.000 0.540 3074 L N 0.078 121.166 121.223 -0.224 0.000 2.388 3074 L HA 0.440 4.781 4.340 0.001 0.000 0.264 3074 L C 1.172 177.899 176.870 -0.238 0.000 0.998 3074 L CA -0.674 54.044 54.840 -0.204 0.000 0.817 3074 L CB 2.484 44.455 42.059 -0.146 0.000 1.338 3074 L HN 0.071 nan 8.230 nan 0.000 0.414 3075 T N -4.089 110.353 114.554 -0.186 0.000 3.010 3075 T HA 0.103 4.454 4.350 0.001 0.000 0.257 3075 T C 0.465 175.162 174.700 -0.005 0.000 1.020 3075 T CA -0.005 62.024 62.100 -0.118 0.000 0.938 3075 T CB 0.373 69.168 68.868 -0.120 0.000 1.049 3075 T HN 0.509 nan 8.240 nan 0.000 0.522 3076 T N 1.593 116.175 114.554 0.048 0.000 2.906 3076 T HA 0.484 4.835 4.350 0.001 0.000 0.295 3076 T C 0.012 174.807 174.700 0.159 0.000 1.075 3076 T CA -0.640 61.508 62.100 0.079 0.000 1.005 3076 T CB 1.631 70.534 68.868 0.058 0.000 1.136 3076 T HN 0.437 nan 8.240 nan 0.000 0.498 3077 N N 2.355 121.088 118.700 0.055 0.000 2.171 3077 N HA 0.230 4.971 4.740 0.001 0.000 0.212 3077 N C 0.054 175.440 175.510 -0.206 0.000 1.184 3077 N CA -0.376 52.581 53.050 -0.156 0.000 0.888 3077 N CB 0.250 38.556 38.487 -0.303 0.000 1.038 3077 N HN 0.445 nan 8.380 nan 0.000 0.517 3078 I N 2.576 123.103 120.570 -0.072 0.000 2.662 3078 I HA -0.035 4.136 4.170 0.001 0.000 0.285 3078 I C 0.582 176.673 176.117 -0.044 0.000 1.161 3078 I CA 0.008 61.276 61.300 -0.053 0.000 1.415 3078 I CB 0.323 38.319 38.000 -0.007 0.000 1.385 3078 I HN 0.101 nan 8.210 nan 0.000 0.552 3079 R N 5.037 125.506 120.500 -0.051 0.000 2.594 3079 R HA 0.203 4.544 4.340 0.001 0.000 0.272 3079 R C -0.293 176.028 176.300 0.034 0.000 1.074 3079 R CA -0.597 55.497 56.100 -0.010 0.000 1.105 3079 R CB 0.554 30.854 30.300 -0.000 0.000 1.008 3079 R HN 0.367 nan 8.270 nan 0.000 0.472 3080 F N 1.970 121.822 119.950 -0.162 0.000 2.484 3080 F HA 0.142 4.670 4.527 0.001 0.000 0.360 3080 F C 0.328 176.033 175.800 -0.158 0.000 1.101 3080 F CA -0.311 57.557 58.000 -0.221 0.000 1.251 3080 F CB 0.566 39.301 39.000 -0.441 0.000 1.132 3080 F HN 0.278 nan 8.300 nan 0.000 0.570 3081 R N 4.172 124.185 120.500 -0.813 0.000 2.407 3081 R HA 0.660 5.001 4.340 0.001 0.000 0.298 3081 R C -0.592 175.077 176.300 -1.052 0.000 1.166 3081 R CA 0.154 55.823 56.100 -0.717 0.000 1.006 3081 R CB 0.711 30.774 30.300 -0.396 0.000 1.145 3081 R HN 0.949 nan 8.270 nan 0.000 0.538 3082 G N 1.116 109.307 108.800 -1.015 0.000 2.455 3082 G HA2 0.195 4.156 3.960 0.001 0.000 0.223 3082 G HA3 0.195 4.156 3.960 0.001 0.000 0.223 3082 G C -1.504 173.401 174.900 0.008 0.000 1.226 3082 G CA -0.181 44.577 45.100 -0.570 0.000 0.948 3082 G HN 0.562 nan 8.290 nan 0.000 0.478 3083 c N 0.164 118.915 118.600 0.252 0.000 2.498 3083 c HA 0.833 5.403 4.570 0.001 0.000 0.316 3083 c C 0.057 174.524 174.090 0.629 0.000 1.209 3083 c CA -0.425 56.158 56.329 0.423 0.000 1.518 3083 c CB 0.313 42.905 42.510 0.136 0.000 2.147 3083 c HN 0.609 nan 8.230 nan 0.000 0.483 3084 I N 3.213 124.181 120.570 0.664 0.000 2.646 3084 I HA 0.731 4.901 4.170 0.001 0.000 0.299 3084 I C -0.157 176.298 176.117 0.564 0.000 1.036 3084 I CA -0.548 61.108 61.300 0.593 0.000 1.074 3084 I CB 1.761 39.936 38.000 0.292 0.000 1.258 3084 I HN 0.711 nan 8.210 nan 0.000 0.430 3085 R N 2.804 123.624 120.500 0.532 0.000 2.643 3085 R HA 0.380 4.720 4.340 0.001 0.000 0.269 3085 R C -1.035 175.411 176.300 0.244 0.000 1.037 3085 R CA -0.367 55.922 56.100 0.316 0.000 0.894 3085 R CB 1.942 32.273 30.300 0.053 0.000 1.238 3085 R HN 0.708 nan 8.270 nan 0.000 0.459 3086 S N 1.105 116.915 115.700 0.183 0.000 3.711 3086 S HA -0.202 4.269 4.470 0.001 0.000 0.374 3086 S C -0.125 174.587 174.600 0.186 0.000 0.969 3086 S CA 0.716 58.994 58.200 0.130 0.000 1.198 3086 S CB -1.439 61.789 63.200 0.047 0.000 0.903 3086 S HN 0.554 nan 8.310 nan 0.000 0.493 3087 L N 1.924 123.282 121.223 0.225 0.000 2.315 3087 L HA 0.447 4.788 4.340 0.001 0.000 0.283 3087 L C 0.116 177.038 176.870 0.086 0.000 1.089 3087 L CA 0.718 55.682 54.840 0.208 0.000 0.833 3087 L CB 0.363 42.527 42.059 0.176 0.000 1.170 3087 L HN 0.167 nan 8.230 nan 0.000 0.442 3088 K N 5.732 126.187 120.400 0.091 0.000 2.345 3088 K HA 0.561 4.882 4.320 0.001 0.000 0.255 3088 K C -1.536 175.086 176.600 0.038 0.000 0.934 3088 K CA -0.902 55.410 56.287 0.042 0.000 0.801 3088 K CB 2.189 34.712 32.500 0.039 0.000 1.137 3088 K HN 0.353 nan 8.250 nan 0.000 0.424 3089 L N 2.222 123.460 121.223 0.025 0.000 2.343 3089 L HA 0.400 4.741 4.340 0.001 0.000 0.278 3089 L C -0.415 176.527 176.870 0.120 0.000 0.996 3089 L CA -0.213 54.663 54.840 0.059 0.000 0.831 3089 L CB 1.747 43.799 42.059 -0.013 0.000 1.232 3089 L HN 0.579 nan 8.230 nan 0.000 0.413 3090 T N 2.790 117.418 114.554 0.124 0.000 2.886 3090 T HA 0.730 5.081 4.350 0.001 0.000 0.292 3090 T C -0.242 174.525 174.700 0.111 0.000 1.012 3090 T CA -0.955 61.206 62.100 0.102 0.000 0.982 3090 T CB 2.383 71.286 68.868 0.059 0.000 1.018 3090 T HN 0.563 nan 8.240 nan 0.000 0.451 3091 K N 0.483 120.930 120.400 0.077 0.000 1.956 3091 K HA 0.786 5.107 4.320 0.001 0.000 0.245 3091 K C 0.236 176.850 176.600 0.023 0.000 1.015 3091 K CA -1.307 55.009 56.287 0.049 0.000 0.864 3091 K CB 0.460 32.960 32.500 0.001 0.000 1.570 3091 K HN 0.549 nan 8.250 nan 0.000 0.577 3092 G N 0.988 109.792 108.800 0.006 0.000 2.519 3092 G HA2 0.414 4.375 3.960 0.001 0.000 0.306 3092 G HA3 0.414 4.375 3.960 0.001 0.000 0.306 3092 G C -0.711 174.183 174.900 -0.009 0.000 0.965 3092 G CA 0.054 45.155 45.100 0.002 0.000 1.291 3092 G HN 0.536 nan 8.290 nan 0.000 0.450 3093 T N 0.222 114.774 114.554 -0.004 0.000 0.544 3093 T HA 0.146 4.497 4.350 0.001 0.000 0.774 3093 T C 1.157 175.849 174.700 -0.013 0.000 0.992 3093 T CA 1.065 63.160 62.100 -0.008 0.000 4.075 3093 T CB -1.201 67.660 68.868 -0.013 0.000 2.302 3093 T HN 2.226 nan 8.240 nan 0.000 0.398 3094 G N 1.843 110.638 108.800 -0.008 0.000 2.559 3094 G HA2 0.163 4.124 3.960 0.001 0.000 0.202 3094 G HA3 0.163 4.124 3.960 0.001 0.000 0.202 3094 G C -0.096 174.805 174.900 0.003 0.000 0.992 3094 G CA 0.365 45.460 45.100 -0.008 0.000 0.764 3094 G HN 1.522 nan 8.290 nan 0.000 0.525 3095 K N 0.174 120.577 120.400 0.006 0.000 7.036 3095 K HA -0.113 4.208 4.320 0.001 0.000 0.759 3095 K C -2.416 174.195 176.600 0.018 0.000 2.417 3095 K CA 0.541 56.833 56.287 0.008 0.000 1.750 3095 K CB -0.551 31.950 32.500 0.002 0.000 1.984 3095 K HN 0.226 nan 8.250 nan 0.000 0.300 3096 P HA -0.100 nan 4.420 nan 0.000 0.265 3096 P C -0.499 176.817 177.300 0.025 0.000 1.167 3096 P CA 0.198 63.316 63.100 0.030 0.000 0.760 3096 P CB 0.383 32.095 31.700 0.020 0.000 0.783 3097 L N 3.093 124.338 121.223 0.036 0.000 2.276 3097 L HA 0.249 4.590 4.340 0.001 0.000 0.286 3097 L C 0.119 176.983 176.870 -0.011 0.000 1.024 3097 L CA -0.395 54.455 54.840 0.017 0.000 0.826 3097 L CB 0.561 42.647 42.059 0.046 0.000 1.211 3097 L HN 0.335 nan 8.230 nan 0.000 0.422 3098 E N 4.539 124.725 120.200 -0.024 0.000 2.044 3098 E HA 0.171 4.522 4.350 0.001 0.000 0.282 3098 E C -0.576 175.979 176.600 -0.075 0.000 1.031 3098 E CA -0.581 55.800 56.400 -0.032 0.000 0.824 3098 E CB 1.618 31.307 29.700 -0.019 0.000 1.076 3098 E HN 0.379 nan 8.360 nan 0.000 0.395 3099 V N 4.048 123.886 119.914 -0.125 0.000 2.540 3099 V HA -0.088 4.032 4.120 0.001 0.000 0.297 3099 V C 0.627 176.568 176.094 -0.256 0.000 1.024 3099 V CA 0.416 62.551 62.300 -0.274 0.000 1.105 3099 V CB 0.041 31.580 31.823 -0.474 0.000 0.938 3099 V HN 0.680 nan 8.190 nan 0.000 0.482 3100 N N 3.724 122.282 118.700 -0.237 0.000 2.800 3100 N HA 0.295 5.036 4.740 0.001 0.000 0.240 3100 N C 0.527 175.987 175.510 -0.084 0.000 1.096 3100 N CA -0.569 52.425 53.050 -0.092 0.000 0.877 3100 N CB 0.324 38.784 38.487 -0.045 0.000 1.138 3100 N HN 0.539 nan 8.380 nan 0.000 0.509 3101 F N 1.715 121.683 119.950 0.030 0.000 2.481 3101 F HA -0.142 4.386 4.527 0.001 0.000 0.297 3101 F C 2.250 178.061 175.800 0.020 0.000 1.095 3101 F CA 0.671 58.687 58.000 0.026 0.000 1.465 3101 F CB -0.024 38.989 39.000 0.022 0.000 1.098 3101 F HN 0.543 nan 8.300 nan 0.000 0.585 3102 A N -0.546 122.375 122.820 0.168 0.000 2.238 3102 A HA 0.012 4.333 4.320 0.001 0.000 0.208 3102 A C 1.636 179.275 177.584 0.092 0.000 1.177 3102 A CA 0.419 52.531 52.037 0.125 0.000 0.804 3102 A CB -0.245 18.822 19.000 0.111 0.000 0.823 3102 A HN 0.301 nan 8.150 nan 0.000 0.482 3103 K N -0.252 120.183 120.400 0.058 0.000 3.054 3103 K HA 0.454 4.775 4.320 0.001 0.000 0.203 3103 K C -0.011 176.599 176.600 0.017 0.000 1.126 3103 K CA 0.092 56.401 56.287 0.037 0.000 1.023 3103 K CB 0.322 32.825 32.500 0.005 0.000 0.722 3103 K HN 0.328 nan 8.250 nan 0.000 0.441 3104 A N 0.661 123.505 122.820 0.040 0.000 2.272 3104 A HA 0.320 4.641 4.320 0.001 0.000 0.275 3104 A C 1.215 178.828 177.584 0.049 0.000 1.096 3104 A CA -0.436 51.619 52.037 0.030 0.000 0.822 3104 A CB 0.326 19.382 19.000 0.094 0.000 1.088 3104 A HN 0.374 nan 8.150 nan 0.000 0.495 3105 L N -0.586 120.661 121.223 0.041 0.000 2.072 3105 L HA 0.025 4.366 4.340 0.001 0.000 0.205 3105 L C 0.746 177.663 176.870 0.078 0.000 1.079 3105 L CA 1.533 56.405 54.840 0.054 0.000 0.752 3105 L CB -0.423 41.660 42.059 0.040 0.000 0.906 3105 L HN 0.915 nan 8.230 nan 0.000 0.436 3106 E N -0.313 119.944 120.200 0.094 0.000 2.381 3106 E HA 0.534 4.885 4.350 0.001 0.000 0.286 3106 E C -1.418 175.219 176.600 0.063 0.000 0.960 3106 E CA -0.592 55.855 56.400 0.079 0.000 0.793 3106 E CB 1.510 31.273 29.700 0.104 0.000 1.225 3106 E HN -0.018 nan 8.360 nan 0.000 0.420 3107 L N 2.170 123.386 121.223 -0.013 0.000 2.346 3107 L HA 0.699 5.040 4.340 0.001 0.000 0.274 3107 L C -0.315 176.451 176.870 -0.174 0.000 1.007 3107 L CA -0.954 53.849 54.840 -0.062 0.000 0.818 3107 L CB 1.929 43.958 42.059 -0.050 0.000 1.284 3107 L HN 0.534 nan 8.230 nan 0.000 0.424 3108 R N 1.375 121.718 120.500 -0.262 0.000 2.512 3108 R HA 0.425 4.766 4.340 0.001 0.000 0.291 3108 R C 0.118 176.275 176.300 -0.239 0.000 1.097 3108 R CA -0.398 55.518 56.100 -0.307 0.000 0.940 3108 R CB 1.880 31.869 30.300 -0.518 0.000 1.198 3108 R HN 0.905 nan 8.270 nan 0.000 0.429 3109 G N 1.277 109.971 108.800 -0.176 0.000 2.221 3109 G HA2 -0.236 3.725 3.960 0.001 0.000 0.265 3109 G HA3 -0.236 3.725 3.960 0.001 0.000 0.265 3109 G C -0.305 174.482 174.900 -0.188 0.000 1.041 3109 G CA 0.284 45.298 45.100 -0.144 0.000 0.807 3109 G HN 0.362 nan 8.290 nan 0.000 0.502 3110 V N -0.188 119.591 119.914 -0.224 0.000 2.638 3110 V HA 0.545 4.666 4.120 0.001 0.000 0.306 3110 V C -0.071 175.872 176.094 -0.253 0.000 1.052 3110 V CA -1.078 60.992 62.300 -0.383 0.000 0.885 3110 V CB 2.049 33.576 31.823 -0.493 0.000 0.999 3110 V HN 0.275 nan 8.190 nan 0.000 0.424 3111 Q N 6.408 126.092 119.800 -0.193 0.000 2.465 3111 Q HA 0.298 4.639 4.340 0.001 0.000 0.237 3111 Q C -1.634 174.310 176.000 -0.093 0.000 1.051 3111 Q CA -2.175 53.613 55.803 -0.024 0.000 0.874 3111 Q CB 1.968 30.856 28.738 0.249 0.000 1.207 3111 Q HN 0.497 nan 8.270 nan 0.000 0.508 3112 P HA -0.177 nan 4.420 nan 0.000 0.216 3112 P C 0.891 178.225 177.300 0.057 0.000 1.154 3112 P CA 1.635 64.725 63.100 -0.016 0.000 0.865 3112 P CB 0.298 32.029 31.700 0.052 0.000 0.789 3113 V N -6.091 113.865 119.914 0.070 0.000 3.398 3113 V HA 0.431 4.552 4.120 0.001 0.000 0.298 3113 V C 0.502 176.666 176.094 0.116 0.000 1.496 3113 V CA -0.196 62.166 62.300 0.102 0.000 1.044 3113 V CB 0.246 32.129 31.823 0.100 0.000 0.880 3113 V HN 0.012 nan 8.190 nan 0.000 0.443 3114 S N 0.173 115.958 115.700 0.141 0.000 2.557 3114 S HA 0.678 5.149 4.470 0.001 0.000 0.291 3114 S C -0.950 173.818 174.600 0.281 0.000 1.116 3114 S CA -0.357 57.969 58.200 0.211 0.000 0.992 3114 S CB 1.492 64.814 63.200 0.203 0.000 1.028 3114 S HN 0.680 nan 8.310 nan 0.000 0.484 3115 c N 7.045 125.746 118.600 0.168 0.000 2.340 3115 c HA 0.751 5.322 4.570 0.001 0.000 0.323 3115 c C -2.838 171.084 174.090 -0.280 0.000 1.260 3115 c CA -2.102 54.214 56.329 -0.021 0.000 1.464 3115 c CB 0.555 43.153 42.510 0.146 0.000 2.156 3115 c HN 0.639 nan 8.230 nan 0.000 0.476 3116 P HA 0.245 nan 4.420 nan 0.000 0.269 3116 P C -0.124 176.935 177.300 -0.402 0.000 1.209 3116 P CA 0.548 63.138 63.100 -0.850 0.000 0.776 3116 P CB 0.752 31.653 31.700 -1.332 0.000 0.876 3117 T N 0.000 114.404 114.554 -0.250 0.000 3.816 3117 T HA 0.000 4.351 4.350 0.001 0.000 0.228 3117 T CA 0.000 62.012 62.100 -0.146 0.000 1.349 3117 T CB 0.000 68.835 68.868 -0.056 0.000 0.612 3117 T HN 0.000 nan 8.240 nan 0.000 0.658