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 1z56_1_C DATA FIRST_RESID 683 DATA SEQUENCE SNIFAGLLFY VLSDYVTEDT GIRITRAELE KTIVEHGGKL IYNVILKRHS DATA SEQUENCE IGDVRLISCK TTTECKALID RGYDILHPNW VLDCIAYKRL ILIEPNYCFN DATA SEQUENCE VSQKMRAVAE KRVDCLGDSF ENDISETKLS SLYKSQLSLP PMGELEIDSE DATA SEQUENCE VRRFPLFXXX XXXXXXXXXX XXXXXXIEMK IKLFGGKITD QQSLCNLIII DATA SEQUENCE PYTDPILRKD CMNEVHEKIK EQIKASDTIP KIARVVAPEW VDHSINENCQ DATA SEQUENCE VPEEDF 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 683 S HA 0.000 nan 4.470 nan 0.000 0.327 683 S C 0.000 174.581 174.600 -0.032 0.000 1.055 683 S CA 0.000 58.178 58.200 -0.036 0.000 1.107 683 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 684 N N 1.615 120.284 118.700 -0.052 0.000 2.482 684 N HA -0.130 4.611 4.740 0.001 0.000 0.288 684 N C -0.172 175.365 175.510 0.045 0.000 1.319 684 N CA 1.118 54.146 53.050 -0.036 0.000 0.671 684 N CB -1.050 37.396 38.487 -0.069 0.000 0.911 684 N HN 0.671 nan 8.380 nan 0.000 0.531 685 I N -0.019 120.583 120.570 0.053 0.000 3.826 685 I HA 0.111 4.282 4.170 0.001 0.000 0.319 685 I C 1.487 177.727 176.117 0.205 0.000 1.394 685 I CA -0.379 60.978 61.300 0.095 0.000 1.197 685 I CB -0.310 37.723 38.000 0.054 0.000 1.096 685 I HN 0.348 nan 8.210 nan 0.000 0.409 686 F N 1.975 121.904 119.950 -0.035 0.000 2.120 686 F HA -0.461 4.066 4.527 0.001 0.000 0.325 686 F C 1.112 176.878 175.800 -0.057 0.000 1.304 686 F CA 1.509 59.483 58.000 -0.043 0.000 1.952 686 F CB -1.235 37.746 39.000 -0.033 0.000 0.712 686 F HN 0.325 nan 8.300 nan 0.000 0.214 687 A N -0.591 122.361 122.820 0.221 0.000 2.547 687 A HA 0.584 4.905 4.320 0.001 0.000 0.279 687 A C 0.616 178.268 177.584 0.112 0.000 1.088 687 A CA 0.114 52.206 52.037 0.091 0.000 0.796 687 A CB 0.754 19.777 19.000 0.038 0.000 1.308 687 A HN 1.328 nan 8.150 nan 0.000 0.415 688 G N 1.312 110.167 108.800 0.091 0.000 2.681 688 G HA2 -0.114 3.846 3.960 0.001 0.000 0.220 688 G HA3 -0.114 3.846 3.960 0.001 0.000 0.220 688 G C 0.685 175.642 174.900 0.095 0.000 1.210 688 G CA 1.761 46.909 45.100 0.080 0.000 0.783 688 G HN 1.178 nan 8.290 nan 0.000 0.609 689 L N 0.425 121.728 121.223 0.133 0.000 2.462 689 L HA 0.479 4.819 4.340 0.001 0.000 0.255 689 L C -0.725 176.291 176.870 0.243 0.000 1.076 689 L CA -0.787 54.168 54.840 0.192 0.000 0.920 689 L CB 1.288 43.472 42.059 0.209 0.000 1.214 689 L HN -0.002 nan 8.230 nan 0.000 0.472 690 L N 4.840 126.148 121.223 0.141 0.000 2.450 690 L HA 0.078 4.418 4.340 0.001 0.000 0.256 690 L C -0.034 176.875 176.870 0.064 0.000 1.374 690 L CA 0.980 55.883 54.840 0.105 0.000 1.210 690 L CB -0.962 41.102 42.059 0.007 0.000 1.394 690 L HN 0.477 nan 8.230 nan 0.000 0.438 691 F N 0.828 120.947 119.950 0.280 0.000 2.963 691 F HA 0.356 4.883 4.527 0.000 0.000 0.321 691 F C -0.116 175.764 175.800 0.134 0.000 1.234 691 F CA -0.449 57.650 58.000 0.165 0.000 1.296 691 F CB -0.144 38.870 39.000 0.023 0.000 0.981 691 F HN 0.177 nan 8.300 nan 0.000 0.507 692 Y N -2.057 118.417 120.300 0.290 0.000 3.071 692 Y HA 0.606 5.156 4.550 0.001 0.000 0.301 692 Y C 0.525 176.565 175.900 0.233 0.000 1.657 692 Y CA -1.495 56.790 58.100 0.309 0.000 1.078 692 Y CB 0.624 39.354 38.460 0.451 0.000 1.465 692 Y HN -0.317 nan 8.280 nan 0.000 0.496 693 V N -2.335 117.868 119.914 0.482 0.000 4.695 693 V HA 0.253 4.373 4.120 0.001 0.000 0.506 693 V C -1.115 175.174 176.094 0.325 0.000 1.922 693 V CA -0.557 61.928 62.300 0.308 0.000 2.228 693 V CB -0.936 31.004 31.823 0.194 0.000 1.040 693 V HN 0.414 nan 8.190 nan 0.000 0.450 694 L N 1.804 123.282 121.223 0.424 0.000 2.333 694 L HA 0.773 5.113 4.340 0.001 0.000 0.280 694 L C 0.522 177.555 176.870 0.271 0.000 1.004 694 L CA -0.693 54.334 54.840 0.313 0.000 0.820 694 L CB 2.057 44.299 42.059 0.306 0.000 1.247 694 L HN 0.243 nan 8.230 nan 0.000 0.416 695 S N 0.434 116.275 115.700 0.235 0.000 2.457 695 S HA 0.172 4.642 4.470 0.001 0.000 0.294 695 S C -0.287 174.410 174.600 0.161 0.000 1.201 695 S CA -0.720 57.613 58.200 0.222 0.000 1.112 695 S CB -0.014 63.291 63.200 0.176 0.000 1.018 695 S HN 0.472 nan 8.310 nan 0.000 0.511 696 D N 2.237 122.696 120.400 0.099 0.000 2.225 696 D HA 0.440 5.081 4.640 0.001 0.000 0.249 696 D C -0.516 175.939 176.300 0.258 0.000 1.052 696 D CA -0.042 54.006 54.000 0.081 0.000 0.909 696 D CB 1.443 42.181 40.800 -0.103 0.000 1.186 696 D HN 0.794 nan 8.370 nan 0.000 0.431 697 Y N -0.199 120.141 120.300 0.066 0.000 2.480 697 Y HA 0.439 4.990 4.550 0.001 0.000 0.329 697 Y C -2.023 173.903 175.900 0.043 0.000 1.127 697 Y CA -1.057 57.082 58.100 0.065 0.000 1.037 697 Y CB 0.798 39.281 38.460 0.038 0.000 1.320 697 Y HN 0.133 nan 8.280 nan 0.000 0.446 698 V N 3.789 123.516 119.914 -0.311 0.000 2.604 698 V HA 0.755 4.876 4.120 0.001 0.000 0.305 698 V C -1.005 174.903 176.094 -0.310 0.000 1.043 698 V CA -0.168 61.932 62.300 -0.333 0.000 0.888 698 V CB 1.983 33.739 31.823 -0.112 0.000 0.995 698 V HN 0.995 nan 8.190 nan 0.000 0.429 699 T N 5.162 119.523 114.554 -0.321 0.000 3.029 699 T HA 0.568 4.919 4.350 0.001 0.000 0.346 699 T C -0.446 174.181 174.700 -0.122 0.000 1.211 699 T CA -0.191 61.791 62.100 -0.198 0.000 1.009 699 T CB -0.121 68.623 68.868 -0.207 0.000 1.084 699 T HN 0.966 nan 8.240 nan 0.000 0.536 700 E N 2.152 122.313 120.200 -0.066 0.000 8.964 700 E HA -0.122 4.228 4.350 0.001 0.000 0.468 700 E C -1.300 175.282 176.600 -0.029 0.000 1.286 700 E CA 0.705 57.084 56.400 -0.036 0.000 2.235 700 E CB -0.051 29.631 29.700 -0.029 0.000 1.018 700 E HN 0.929 nan 8.360 nan 0.000 0.273 701 D N -0.749 119.646 120.400 -0.008 0.000 2.648 701 D HA 0.588 5.229 4.640 0.001 0.000 0.244 701 D C -0.466 175.840 176.300 0.010 0.000 1.244 701 D CA -0.225 53.778 54.000 0.004 0.000 0.772 701 D CB 1.556 42.361 40.800 0.009 0.000 1.379 701 D HN 0.479 nan 8.370 nan 0.000 0.428 702 T N -1.707 112.856 114.554 0.016 0.000 2.572 702 T HA 0.765 5.116 4.350 0.001 0.000 0.274 702 T C 0.211 174.920 174.700 0.016 0.000 0.949 702 T CA -0.827 61.282 62.100 0.016 0.000 1.126 702 T CB 0.958 69.835 68.868 0.017 0.000 1.478 702 T HN 0.676 nan 8.240 nan 0.000 0.492 703 G N -0.818 107.991 108.800 0.015 0.000 2.432 703 G HA2 0.643 4.603 3.960 0.001 0.000 0.331 703 G HA3 0.643 4.603 3.960 0.001 0.000 0.331 703 G C 0.137 175.045 174.900 0.014 0.000 1.170 703 G CA -0.825 44.283 45.100 0.013 0.000 0.943 703 G HN 0.656 nan 8.290 nan 0.000 0.483 704 I N 0.085 120.662 120.570 0.013 0.000 2.404 704 I HA 0.062 4.233 4.170 0.001 0.000 0.231 704 I C 2.533 178.657 176.117 0.011 0.000 1.064 704 I CA 0.942 62.250 61.300 0.013 0.000 1.383 704 I CB 0.183 38.189 38.000 0.011 0.000 1.171 704 I HN 0.617 nan 8.210 nan 0.000 0.422 705 R N 0.642 121.147 120.500 0.009 0.000 2.428 705 R HA 0.328 4.668 4.340 0.001 0.000 0.193 705 R C 0.607 176.911 176.300 0.007 0.000 0.852 705 R CA -0.101 56.004 56.100 0.009 0.000 1.055 705 R CB -1.042 29.263 30.300 0.009 0.000 1.343 705 R HN 0.338 nan 8.270 nan 0.000 0.655 706 I N 0.719 121.293 120.570 0.006 0.000 2.441 706 I HA 0.390 4.560 4.170 0.001 0.000 0.287 706 I C 0.334 176.454 176.117 0.006 0.000 1.049 706 I CA -0.123 61.180 61.300 0.005 0.000 1.381 706 I CB 1.252 39.254 38.000 0.003 0.000 1.409 706 I HN 0.409 nan 8.210 nan 0.000 0.523 707 T N 4.889 119.446 114.554 0.006 0.000 0.563 707 T HA -0.274 4.077 4.350 0.001 0.000 0.774 707 T C -0.207 174.498 174.700 0.008 0.000 0.992 707 T CA 1.671 63.775 62.100 0.006 0.000 4.077 707 T CB -0.190 68.681 68.868 0.005 0.000 2.303 707 T HN 1.095 nan 8.240 nan 0.000 0.398 708 R N 0.100 120.605 120.500 0.009 0.000 2.572 708 R HA 0.685 5.026 4.340 0.001 0.000 0.273 708 R C -0.792 175.515 176.300 0.012 0.000 1.168 708 R CA -0.413 55.693 56.100 0.011 0.000 1.021 708 R CB 1.074 31.381 30.300 0.011 0.000 1.249 708 R HN 0.902 nan 8.270 nan 0.000 0.423 709 A N 2.440 125.269 122.820 0.014 0.000 2.401 709 A HA 0.271 4.592 4.320 0.001 0.000 0.259 709 A C -0.200 177.396 177.584 0.019 0.000 1.103 709 A CA -0.338 51.709 52.037 0.018 0.000 0.789 709 A CB 0.298 19.310 19.000 0.019 0.000 1.035 709 A HN 0.809 nan 8.150 nan 0.000 0.491 710 E N 2.790 123.003 120.200 0.022 0.000 2.969 710 E HA 0.303 4.653 4.350 0.001 0.000 0.213 710 E C 0.678 177.294 176.600 0.026 0.000 1.107 710 E CA -0.353 56.059 56.400 0.020 0.000 1.007 710 E CB 0.387 30.097 29.700 0.016 0.000 1.326 710 E HN 0.770 nan 8.360 nan 0.000 0.432 711 L N 1.519 122.759 121.223 0.028 0.000 3.356 711 L HA -0.547 3.794 4.340 0.001 0.000 0.188 711 L C 2.406 179.307 176.870 0.051 0.000 4.317 711 L CA 2.767 57.629 54.840 0.037 0.000 0.554 711 L CB -0.480 41.596 42.059 0.028 0.000 3.420 711 L HN 0.621 nan 8.230 nan 0.000 0.457 712 E N -0.616 119.608 120.200 0.039 0.000 2.147 712 E HA -0.295 4.055 4.350 0.001 0.000 0.199 712 E C 1.792 178.417 176.600 0.042 0.000 1.005 712 E CA 1.877 58.299 56.400 0.036 0.000 0.810 712 E CB -0.352 29.361 29.700 0.021 0.000 0.736 712 E HN 0.587 nan 8.360 nan 0.000 0.460 713 K N 0.269 120.693 120.400 0.041 0.000 2.288 713 K HA -0.024 4.296 4.320 0.001 0.000 0.201 713 K C 2.032 178.674 176.600 0.070 0.000 1.048 713 K CA 1.490 57.803 56.287 0.043 0.000 0.956 713 K CB 0.043 32.561 32.500 0.031 0.000 0.746 713 K HN 0.265 nan 8.250 nan 0.000 0.461 714 T N 1.883 116.490 114.554 0.088 0.000 2.706 714 T HA -0.010 4.341 4.350 0.001 0.000 0.255 714 T C 2.057 176.933 174.700 0.293 0.000 1.048 714 T CA 0.700 62.884 62.100 0.141 0.000 1.153 714 T CB -0.275 68.645 68.868 0.088 0.000 0.865 714 T HN 0.053 nan 8.240 nan 0.000 0.414 715 I N 1.318 122.030 120.570 0.237 0.000 2.091 715 I HA -0.234 3.936 4.170 0.001 0.000 0.240 715 I C 2.560 178.656 176.117 -0.035 0.000 1.046 715 I CA 1.460 62.884 61.300 0.206 0.000 1.306 715 I CB -0.825 37.239 38.000 0.106 0.000 1.018 715 I HN 0.068 nan 8.210 nan 0.000 0.404 716 V N 0.385 120.299 119.914 0.000 0.000 2.490 716 V HA -0.233 3.888 4.120 0.001 0.000 0.250 716 V C 2.143 178.228 176.094 -0.014 0.000 1.061 716 V CA 1.635 63.908 62.300 -0.045 0.000 1.064 716 V CB -0.655 31.156 31.823 -0.019 0.000 0.670 716 V HN 0.413 nan 8.190 nan 0.000 0.461 717 E N -0.766 119.480 120.200 0.075 0.000 2.526 717 E HA -0.123 4.228 4.350 0.001 0.000 0.198 717 E C 1.398 178.109 176.600 0.185 0.000 1.091 717 E CA 0.976 57.438 56.400 0.103 0.000 0.880 717 E CB 0.047 29.804 29.700 0.095 0.000 0.873 717 E HN 1.024 nan 8.360 nan 0.000 0.527 718 H N -5.680 113.423 119.070 0.055 0.000 2.612 718 H HA 0.201 4.758 4.556 0.001 0.000 0.193 718 H C 1.886 177.266 175.328 0.087 0.000 0.875 718 H CA 0.326 56.428 56.048 0.089 0.000 0.923 718 H CB -0.501 29.305 29.762 0.073 0.000 1.170 718 H HN 0.009 nan 8.280 nan 0.000 0.459 719 G N 0.679 108.894 108.800 -0.974 0.000 2.475 719 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 719 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 719 G C 1.586 176.225 174.900 -0.435 0.000 1.125 719 G CA 0.959 45.650 45.100 -0.682 0.000 0.755 719 G HN 0.621 nan 8.290 nan 0.000 0.565 720 G N 0.308 108.951 108.800 -0.262 0.000 2.454 720 G HA2 -0.154 3.806 3.960 0.001 0.000 0.214 720 G HA3 -0.154 3.806 3.960 0.001 0.000 0.214 720 G C 1.627 176.453 174.900 -0.124 0.000 1.217 720 G CA 0.988 45.994 45.100 -0.156 0.000 0.799 720 G HN 0.423 nan 8.290 nan 0.000 0.538 721 K N -0.794 119.584 120.400 -0.037 0.000 2.362 721 K HA 0.013 4.334 4.320 0.001 0.000 0.202 721 K C 0.022 176.645 176.600 0.038 0.000 1.045 721 K CA 0.591 56.913 56.287 0.059 0.000 0.936 721 K CB -0.107 32.495 32.500 0.169 0.000 0.747 721 K HN 0.198 nan 8.250 nan 0.000 0.467 722 L N 0.853 121.952 121.223 -0.207 0.000 2.724 722 L HA 0.243 4.583 4.340 0.001 0.000 0.258 722 L C -1.248 174.808 176.870 -1.357 0.000 0.967 722 L CA -0.654 53.915 54.840 -0.453 0.000 0.891 722 L CB 1.671 43.752 42.059 0.037 0.000 1.456 722 L HN -0.140 nan 8.230 nan 0.000 0.416 723 I N 3.794 123.825 120.570 -0.899 0.000 2.533 723 I HA 0.334 4.505 4.170 0.001 0.000 0.284 723 I C -0.691 174.897 176.117 -0.882 0.000 1.109 723 I CA 0.109 60.962 61.300 -0.745 0.000 1.412 723 I CB -0.458 37.364 38.000 -0.297 0.000 1.396 723 I HN 0.545 nan 8.210 nan 0.000 0.543 724 Y N 3.955 124.198 120.300 -0.095 0.000 2.705 724 Y HA 0.376 4.926 4.550 0.001 0.000 0.367 724 Y C -1.434 174.443 175.900 -0.039 0.000 1.211 724 Y CA -1.763 56.311 58.100 -0.043 0.000 1.375 724 Y CB 0.216 38.677 38.460 0.001 0.000 1.404 724 Y HN 0.560 nan 8.280 nan 0.000 0.514 725 N N 1.014 119.834 118.700 0.200 0.000 2.397 725 N HA 0.409 5.149 4.740 0.001 0.000 0.291 725 N C 0.489 176.051 175.510 0.087 0.000 1.065 725 N CA -0.307 52.794 53.050 0.086 0.000 0.884 725 N CB 2.798 41.280 38.487 -0.008 0.000 1.551 725 N HN 0.875 nan 8.380 nan 0.000 0.487 726 V N 0.677 120.653 119.914 0.104 0.000 2.343 726 V HA -0.060 4.060 4.120 0.001 0.000 0.247 726 V C 1.176 177.226 176.094 -0.073 0.000 1.051 726 V CA 0.873 63.198 62.300 0.042 0.000 1.036 726 V CB -0.791 31.113 31.823 0.135 0.000 0.654 726 V HN 0.667 nan 8.190 nan 0.000 0.451 727 I N 1.069 121.615 120.570 -0.040 0.000 2.880 727 I HA 0.134 4.304 4.170 0.001 0.000 0.296 727 I C 0.635 176.698 176.117 -0.090 0.000 1.220 727 I CA -0.380 60.883 61.300 -0.061 0.000 1.435 727 I CB -0.448 37.522 38.000 -0.050 0.000 1.339 727 I HN 0.537 nan 8.210 nan 0.000 0.583 728 L N 2.074 123.246 121.223 -0.085 0.000 3.184 728 L HA -0.067 4.274 4.340 0.001 0.000 0.341 728 L C -0.204 176.601 176.870 -0.109 0.000 1.112 728 L CA 0.576 55.364 54.840 -0.086 0.000 0.842 728 L CB -0.645 41.377 42.059 -0.062 0.000 1.260 728 L HN 0.769 nan 8.230 nan 0.000 0.573 729 K N 3.052 123.384 120.400 -0.114 0.000 2.731 729 K HA 0.287 4.607 4.320 0.001 0.000 0.257 729 K C 0.443 177.024 176.600 -0.032 0.000 1.032 729 K CA -0.559 55.638 56.287 -0.150 0.000 0.983 729 K CB 1.035 33.354 32.500 -0.301 0.000 1.248 729 K HN 0.466 nan 8.250 nan 0.000 0.484 730 R N 0.959 121.476 120.500 0.029 0.000 2.249 730 R HA -0.051 4.290 4.340 0.001 0.000 0.230 730 R C -0.302 176.074 176.300 0.126 0.000 1.121 730 R CA 0.580 56.717 56.100 0.061 0.000 0.997 730 R CB -0.422 29.910 30.300 0.053 0.000 0.867 730 R HN 0.737 nan 8.270 nan 0.000 0.465 731 H N -0.055 119.013 119.070 -0.004 0.000 3.082 731 H HA -0.146 4.411 4.556 0.001 0.000 0.253 731 H C 0.315 175.652 175.328 0.015 0.000 0.794 731 H CA 0.632 56.685 56.048 0.009 0.000 1.456 731 H CB 0.453 30.223 29.762 0.014 0.000 1.284 731 H HN 0.120 nan 8.280 nan 0.000 0.506 732 S N 3.280 119.002 115.700 0.037 0.000 2.800 732 S HA 0.031 4.502 4.470 0.001 0.000 0.266 732 S C 1.210 175.806 174.600 -0.007 0.000 1.029 732 S CA -0.455 57.764 58.200 0.031 0.000 1.302 732 S CB 0.576 63.795 63.200 0.032 0.000 1.212 732 S HN 0.568 nan 8.310 nan 0.000 0.683 733 I N 3.020 123.546 120.570 -0.074 0.000 3.616 733 I HA 0.282 4.452 4.170 0.001 0.000 0.306 733 I C 0.477 176.564 176.117 -0.050 0.000 1.232 733 I CA 0.517 61.769 61.300 -0.080 0.000 1.182 733 I CB -0.355 37.564 38.000 -0.135 0.000 1.007 733 I HN 0.346 nan 8.210 nan 0.000 0.479 734 G N 0.627 109.419 108.800 -0.013 0.000 2.542 734 G HA2 -0.087 3.873 3.960 0.001 0.000 0.391 734 G HA3 -0.087 3.873 3.960 0.001 0.000 0.391 734 G C -1.404 173.525 174.900 0.049 0.000 1.551 734 G CA -0.911 44.197 45.100 0.013 0.000 0.946 734 G HN 0.078 nan 8.290 nan 0.000 0.662 735 D N 1.354 121.792 120.400 0.063 0.000 2.540 735 D HA 0.403 5.043 4.640 0.001 0.000 0.251 735 D C 0.989 177.349 176.300 0.099 0.000 1.159 735 D CA -0.033 54.027 54.000 0.099 0.000 0.974 735 D CB 1.210 42.080 40.800 0.118 0.000 0.996 735 D HN 0.756 nan 8.370 nan 0.000 0.512 736 V N 0.711 120.692 119.914 0.111 0.000 2.615 736 V HA 0.400 4.520 4.120 0.001 0.000 0.308 736 V C 0.474 176.654 176.094 0.143 0.000 1.257 736 V CA -0.928 61.441 62.300 0.116 0.000 1.454 736 V CB -0.221 31.675 31.823 0.122 0.000 1.537 736 V HN 0.140 nan 8.190 nan 0.000 0.566 737 R N 2.088 122.677 120.500 0.149 0.000 2.230 737 R HA 0.562 4.902 4.340 0.001 0.000 0.337 737 R C -0.640 175.749 176.300 0.148 0.000 1.063 737 R CA -0.492 55.704 56.100 0.161 0.000 0.935 737 R CB 0.667 31.064 30.300 0.161 0.000 1.121 737 R HN 0.663 nan 8.270 nan 0.000 0.486 738 L N 6.411 127.711 121.223 0.128 0.000 2.319 738 L HA 0.306 4.646 4.340 0.001 0.000 0.280 738 L C 0.194 177.114 176.870 0.084 0.000 1.099 738 L CA -0.637 54.251 54.840 0.079 0.000 0.828 738 L CB 1.145 43.252 42.059 0.081 0.000 1.150 738 L HN 0.560 nan 8.230 nan 0.000 0.442 739 I N 0.397 120.990 120.570 0.038 0.000 2.405 739 I HA 0.418 4.589 4.170 0.001 0.000 0.280 739 I C -0.396 175.683 176.117 -0.063 0.000 1.027 739 I CA -0.294 60.978 61.300 -0.047 0.000 1.161 739 I CB 0.863 38.840 38.000 -0.038 0.000 1.300 739 I HN 0.327 nan 8.210 nan 0.000 0.463 740 S N 6.106 121.758 115.700 -0.081 0.000 2.508 740 S HA 0.766 5.236 4.470 0.001 0.000 0.284 740 S C -0.053 174.465 174.600 -0.137 0.000 1.192 740 S CA -0.491 57.715 58.200 0.010 0.000 1.070 740 S CB 1.442 64.694 63.200 0.087 0.000 1.004 740 S HN 0.964 nan 8.310 nan 0.000 0.493 741 C N 2.609 121.783 119.300 -0.210 0.000 3.181 741 C HA 0.592 5.053 4.460 0.001 0.000 0.362 741 C C 0.658 175.556 174.990 -0.153 0.000 1.125 741 C CA -0.878 57.975 59.018 -0.275 0.000 1.265 741 C CB 0.784 28.310 27.740 -0.356 0.000 1.632 741 C HN 0.895 nan 8.230 nan 0.000 0.525 742 K N 1.712 122.101 120.400 -0.019 0.000 1.975 742 K HA 0.214 4.534 4.320 0.001 0.000 0.210 742 K C 1.029 177.654 176.600 0.042 0.000 1.041 742 K CA 2.028 58.350 56.287 0.060 0.000 0.942 742 K CB -0.141 32.380 32.500 0.034 0.000 0.729 742 K HN 0.935 nan 8.250 nan 0.000 0.439 743 T N -1.296 113.256 114.554 -0.003 0.000 2.937 743 T HA 0.200 4.550 4.350 0.001 0.000 0.283 743 T C 0.880 175.563 174.700 -0.029 0.000 1.012 743 T CA -0.269 61.833 62.100 0.002 0.000 0.997 743 T CB 1.596 70.468 68.868 0.006 0.000 1.136 743 T HN 0.457 nan 8.240 nan 0.000 0.551 744 T N -1.553 112.995 114.554 -0.009 0.000 3.535 744 T HA 0.135 4.485 4.350 0.001 0.000 0.223 744 T C 1.473 176.168 174.700 -0.008 0.000 0.933 744 T CA 1.025 63.116 62.100 -0.014 0.000 1.445 744 T CB -1.128 67.745 68.868 0.008 0.000 1.286 744 T HN 0.623 nan 8.240 nan 0.000 0.436 745 T N 2.670 117.225 114.554 0.003 0.000 1.622 745 T HA -0.388 3.963 4.350 0.001 0.000 0.074 745 T C 1.433 176.136 174.700 0.005 0.000 1.822 745 T CA 3.105 65.209 62.100 0.006 0.000 0.722 745 T CB -1.627 67.245 68.868 0.007 0.000 0.775 745 T HN 0.980 nan 8.240 nan 0.000 0.385 746 E N 1.014 121.218 120.200 0.006 0.000 2.277 746 E HA -0.290 4.060 4.350 0.001 0.000 0.216 746 E C 2.171 178.778 176.600 0.012 0.000 1.068 746 E CA 2.229 58.635 56.400 0.010 0.000 0.866 746 E CB -1.274 28.434 29.700 0.013 0.000 0.749 746 E HN 0.605 nan 8.360 nan 0.000 0.465 747 C N 0.715 120.016 119.300 0.002 0.000 2.349 747 C HA -0.268 4.192 4.460 0.001 0.000 0.274 747 C C 2.405 177.401 174.990 0.010 0.000 1.178 747 C CA 1.598 60.613 59.018 -0.006 0.000 1.769 747 C CB -0.979 26.740 27.740 -0.034 0.000 2.047 747 C HN 0.577 nan 8.230 nan 0.000 0.448 748 K N 0.112 120.521 120.400 0.014 0.000 2.063 748 K HA -0.352 3.969 4.320 0.001 0.000 0.225 748 K C 1.825 178.446 176.600 0.034 0.000 0.954 748 K CA 2.375 58.677 56.287 0.025 0.000 0.988 748 K CB -1.529 30.984 32.500 0.021 0.000 0.842 748 K HN 0.624 nan 8.250 nan 0.000 0.475 749 A N 0.948 123.787 122.820 0.030 0.000 2.322 749 A HA -0.164 4.157 4.320 0.001 0.000 0.218 749 A C 1.890 179.501 177.584 0.046 0.000 1.201 749 A CA 1.961 54.019 52.037 0.034 0.000 0.685 749 A CB -0.705 18.310 19.000 0.025 0.000 0.785 749 A HN 0.496 nan 8.150 nan 0.000 0.500 750 L N -4.294 116.963 121.223 0.057 0.000 3.217 750 L HA 0.380 4.720 4.340 0.001 0.000 0.288 750 L C 1.294 178.252 176.870 0.147 0.000 1.202 750 L CA 0.306 55.198 54.840 0.086 0.000 1.027 750 L CB -0.049 42.023 42.059 0.022 0.000 1.427 750 L HN 0.105 nan 8.230 nan 0.000 0.600 751 I N -2.222 118.416 120.570 0.113 0.000 2.584 751 I HA 0.100 4.270 4.170 0.001 0.000 0.255 751 I C 1.515 177.685 176.117 0.088 0.000 1.145 751 I CA 0.771 62.142 61.300 0.120 0.000 1.462 751 I CB -0.597 37.463 38.000 0.099 0.000 1.102 751 I HN 0.124 nan 8.210 nan 0.000 0.433 752 D N 2.366 122.809 120.400 0.071 0.000 2.504 752 D HA 0.024 4.664 4.640 0.001 0.000 0.243 752 D C 0.709 177.051 176.300 0.070 0.000 1.203 752 D CA 0.205 54.238 54.000 0.055 0.000 0.847 752 D CB 0.164 40.987 40.800 0.039 0.000 0.973 752 D HN 0.319 nan 8.370 nan 0.000 0.490 753 R N -1.102 119.464 120.500 0.110 0.000 2.521 753 R HA 0.158 4.498 4.340 0.001 0.000 0.436 753 R C 0.822 177.242 176.300 0.199 0.000 0.917 753 R CA 0.536 56.722 56.100 0.144 0.000 1.080 753 R CB 0.043 30.440 30.300 0.163 0.000 1.530 753 R HN 0.171 nan 8.270 nan 0.000 0.596 754 G N 0.583 109.459 108.800 0.127 0.000 2.417 754 G HA2 -0.363 3.597 3.960 0.001 0.000 0.233 754 G HA3 -0.363 3.597 3.960 0.001 0.000 0.233 754 G C -0.140 174.790 174.900 0.051 0.000 1.103 754 G CA 0.348 45.476 45.100 0.046 0.000 0.647 754 G HN 0.311 nan 8.290 nan 0.000 0.512 755 Y N 3.261 123.598 120.300 0.063 0.000 2.702 755 Y HA 0.354 4.904 4.550 0.001 0.000 0.336 755 Y C 0.548 176.517 175.900 0.114 0.000 1.235 755 Y CA 0.394 58.536 58.100 0.071 0.000 1.492 755 Y CB 0.468 38.968 38.460 0.067 0.000 1.308 755 Y HN 0.221 nan 8.280 nan 0.000 0.589 756 D N 4.052 124.580 120.400 0.214 0.000 2.347 756 D HA 0.236 4.876 4.640 0.001 0.000 0.235 756 D C -0.057 176.319 176.300 0.126 0.000 1.149 756 D CA -0.118 54.011 54.000 0.215 0.000 0.850 756 D CB 0.583 41.289 40.800 -0.157 0.000 1.061 756 D HN 0.330 nan 8.370 nan 0.000 0.487 757 I N 2.248 122.989 120.570 0.285 0.000 2.529 757 I HA 0.123 4.293 4.170 0.001 0.000 0.284 757 I C 0.124 176.498 176.117 0.427 0.000 1.082 757 I CA -0.561 60.911 61.300 0.287 0.000 1.406 757 I CB 0.489 38.622 38.000 0.222 0.000 1.405 757 I HN 0.192 nan 8.210 nan 0.000 0.548 758 L N 6.324 127.792 121.223 0.409 0.000 2.470 758 L HA 0.717 5.057 4.340 0.001 0.000 0.268 758 L C -0.985 175.955 176.870 0.116 0.000 0.964 758 L CA -0.201 54.726 54.840 0.145 0.000 0.839 758 L CB 1.284 43.241 42.059 -0.169 0.000 1.276 758 L HN 0.937 nan 8.230 nan 0.000 0.403 759 H N 1.629 120.687 119.070 -0.019 0.000 2.905 759 H HA 0.373 4.929 4.556 0.001 0.000 0.260 759 H C -3.276 172.062 175.328 0.016 0.000 1.403 759 H CA -0.856 55.218 56.048 0.043 0.000 1.290 759 H CB 0.923 30.705 29.762 0.032 0.000 1.840 759 H HN 0.301 nan 8.280 nan 0.000 0.466 760 P HA 0.072 nan 4.420 nan 0.000 0.194 760 P C 0.712 178.098 177.300 0.143 0.000 1.105 760 P CA 0.896 64.103 63.100 0.178 0.000 0.797 760 P CB 0.427 32.187 31.700 0.100 0.000 0.687 761 N N -1.635 117.105 118.700 0.067 0.000 3.409 761 N HA -0.306 4.435 4.740 0.001 0.000 0.201 761 N C 1.238 176.770 175.510 0.037 0.000 0.165 761 N CA 2.359 55.429 53.050 0.034 0.000 2.936 761 N CB -2.115 36.385 38.487 0.022 0.000 1.155 761 N HN 0.264 nan 8.380 nan 0.000 0.362 762 W N 3.002 124.257 121.300 -0.075 0.000 2.321 762 W HA -0.132 4.529 4.660 0.001 0.000 0.285 762 W C 2.113 178.606 176.519 -0.042 0.000 1.213 762 W CA 2.156 59.459 57.345 -0.070 0.000 1.205 762 W CB -0.338 29.067 29.460 -0.091 0.000 1.134 762 W HN 0.121 nan 8.180 nan 0.000 0.549 763 V N 0.433 120.224 119.914 -0.205 0.000 2.379 763 V HA -0.229 3.891 4.120 0.001 0.000 0.243 763 V C 2.179 178.118 176.094 -0.259 0.000 1.035 763 V CA 1.797 63.869 62.300 -0.381 0.000 1.035 763 V CB -0.808 30.900 31.823 -0.191 0.000 0.673 763 V HN 0.243 nan 8.190 nan 0.000 0.457 764 L N -0.442 120.701 121.223 -0.135 0.000 2.217 764 L HA -0.113 4.227 4.340 0.001 0.000 0.211 764 L C 2.063 178.868 176.870 -0.107 0.000 1.107 764 L CA 1.468 56.256 54.840 -0.086 0.000 0.783 764 L CB -0.229 41.806 42.059 -0.040 0.000 0.919 764 L HN 0.385 nan 8.230 nan 0.000 0.442 765 D N -1.545 118.773 120.400 -0.136 0.000 2.323 765 D HA -0.088 4.552 4.640 0.001 0.000 0.209 765 D C 2.004 178.201 176.300 -0.171 0.000 0.973 765 D CA 0.639 54.572 54.000 -0.111 0.000 0.874 765 D CB 0.290 41.057 40.800 -0.055 0.000 0.930 765 D HN 0.425 nan 8.370 nan 0.000 0.521 766 C N 0.551 119.659 119.300 -0.320 0.000 2.464 766 C HA 0.050 4.510 4.460 0.001 0.000 0.278 766 C C 2.722 177.600 174.990 -0.188 0.000 1.375 766 C CA -0.230 58.581 59.018 -0.345 0.000 1.761 766 C CB -0.726 26.643 27.740 -0.617 0.000 1.944 766 C HN 0.334 nan 8.230 nan 0.000 0.509 767 I N 1.582 122.074 120.570 -0.131 0.000 2.151 767 I HA -0.188 3.983 4.170 0.001 0.000 0.243 767 I C 1.712 177.767 176.117 -0.104 0.000 1.080 767 I CA 1.248 62.507 61.300 -0.068 0.000 1.339 767 I CB -0.623 37.350 38.000 -0.044 0.000 1.039 767 I HN 0.239 nan 8.210 nan 0.000 0.409 768 A N 0.500 123.247 122.820 -0.122 0.000 2.473 768 A HA 0.222 4.543 4.320 0.001 0.000 0.282 768 A C -0.187 177.346 177.584 -0.086 0.000 1.163 768 A CA 0.020 51.948 52.037 -0.182 0.000 0.827 768 A CB -0.859 18.072 19.000 -0.114 0.000 1.098 768 A HN 0.460 nan 8.150 nan 0.000 0.515 769 Y N 0.855 121.096 120.300 -0.097 0.000 2.896 769 Y HA -0.307 4.243 4.550 0.000 0.000 0.466 769 Y C 0.781 176.560 175.900 -0.201 0.000 1.200 769 Y CA 1.597 59.621 58.100 -0.128 0.000 2.507 769 Y CB -1.354 37.033 38.460 -0.122 0.000 1.231 769 Y HN 0.669 nan 8.280 nan 0.000 0.631 770 K N -0.351 119.993 120.400 -0.094 0.000 2.399 770 K HA 0.587 4.908 4.320 0.001 0.000 0.260 770 K C -1.092 175.291 176.600 -0.362 0.000 1.049 770 K CA -1.265 54.777 56.287 -0.408 0.000 0.890 770 K CB 1.652 33.620 32.500 -0.886 0.000 1.430 770 K HN 0.207 nan 8.250 nan 0.000 0.459 771 R N 2.058 122.292 120.500 -0.443 0.000 2.198 771 R HA 0.327 4.667 4.340 0.001 0.000 0.339 771 R C -1.065 175.161 176.300 -0.123 0.000 1.020 771 R CA -0.215 55.716 56.100 -0.282 0.000 0.864 771 R CB 0.095 30.149 30.300 -0.410 0.000 1.105 771 R HN 0.494 nan 8.270 nan 0.000 0.463 772 L N 6.525 127.720 121.223 -0.046 0.000 3.443 772 L HA 0.237 4.577 4.340 0.001 0.000 0.358 772 L C -0.754 176.167 176.870 0.086 0.000 1.338 772 L CA -0.167 54.701 54.840 0.047 0.000 0.905 772 L CB 0.439 42.514 42.059 0.026 0.000 1.317 772 L HN 0.467 nan 8.230 nan 0.000 0.602 773 I N 1.921 122.577 120.570 0.143 0.000 3.051 773 I HA -0.118 4.053 4.170 0.001 0.000 0.290 773 I C 1.458 177.718 176.117 0.240 0.000 1.166 773 I CA 0.638 62.064 61.300 0.209 0.000 1.479 773 I CB -0.244 37.896 38.000 0.233 0.000 1.505 773 I HN 0.355 nan 8.210 nan 0.000 0.654 774 L N 8.099 129.372 121.223 0.083 0.000 4.812 774 L HA -0.066 4.275 4.340 0.001 0.000 0.272 774 L C 0.661 177.503 176.870 -0.045 0.000 1.427 774 L CA 0.172 55.015 54.840 0.005 0.000 0.926 774 L CB -0.925 41.111 42.059 -0.039 0.000 1.437 774 L HN 0.582 nan 8.230 nan 0.000 0.389 775 I N -0.429 120.087 120.570 -0.090 0.000 7.316 775 I HA -0.278 3.892 4.170 0.001 0.000 0.126 775 I C -0.052 176.026 176.117 -0.065 0.000 1.806 775 I CA 0.377 61.532 61.300 -0.242 0.000 2.125 775 I CB -1.172 36.649 38.000 -0.299 0.000 3.572 775 I HN 0.348 nan 8.210 nan 0.000 0.196 776 E N 4.099 124.276 120.200 -0.039 0.000 2.222 776 E HA 0.500 4.851 4.350 0.001 0.000 0.267 776 E C -2.207 174.341 176.600 -0.087 0.000 0.963 776 E CA -2.640 53.763 56.400 0.004 0.000 0.837 776 E CB 0.669 30.367 29.700 -0.003 0.000 1.183 776 E HN -0.070 nan 8.360 nan 0.000 0.403 777 P HA -0.097 nan 4.420 nan 0.000 0.243 777 P C -0.865 176.115 177.300 -0.534 0.000 1.107 777 P CA 0.805 63.846 63.100 -0.098 0.000 0.848 777 P CB -0.375 31.364 31.700 0.064 0.000 0.771 778 N N 2.672 120.464 118.700 -1.512 0.000 3.506 778 N HA 0.158 4.898 4.740 0.001 0.000 0.174 778 N C -1.183 173.507 175.510 -1.368 0.000 1.488 778 N CA -0.701 51.706 53.050 -1.071 0.000 0.834 778 N CB -0.629 37.524 38.487 -0.557 0.000 1.677 778 N HN 0.156 nan 8.380 nan 0.000 0.654 779 Y N -1.744 118.350 120.300 -0.343 0.000 2.914 779 Y HA 0.624 5.174 4.550 0.001 0.000 0.327 779 Y C -0.066 175.829 175.900 -0.008 0.000 1.440 779 Y CA -1.345 56.432 58.100 -0.537 0.000 1.086 779 Y CB 0.572 39.126 38.460 0.157 0.000 1.544 779 Y HN 0.186 nan 8.280 nan 0.000 0.442 780 C N -0.050 119.638 119.300 0.647 0.000 3.722 780 C HA 0.174 4.634 4.460 0.001 0.000 0.279 780 C C 1.510 176.695 174.990 0.325 0.000 1.819 780 C CA -0.350 58.924 59.018 0.426 0.000 1.744 780 C CB -1.494 26.472 27.740 0.376 0.000 3.247 780 C HN 0.802 nan 8.230 nan 0.000 0.549 781 F N 1.848 121.907 119.950 0.181 0.000 2.074 781 F HA 0.280 4.807 4.527 0.001 0.000 0.290 781 F C 0.598 176.379 175.800 -0.031 0.000 1.118 781 F CA 1.175 59.208 58.000 0.054 0.000 1.199 781 F CB -0.993 38.004 39.000 -0.004 0.000 1.012 781 F HN 0.135 nan 8.300 nan 0.000 0.472 782 N N -0.286 117.006 118.700 -2.345 0.000 2.568 782 N HA -0.162 4.578 4.740 0.001 0.000 0.285 782 N C -1.444 173.316 175.510 -1.249 0.000 1.602 782 N CA 0.677 52.624 53.050 -1.839 0.000 1.043 782 N CB -0.556 37.524 38.487 -0.678 0.000 0.920 782 N HN 0.332 nan 8.380 nan 0.000 0.467 783 V N 3.997 123.377 119.914 -0.891 0.000 2.217 783 V HA 0.188 4.308 4.120 0.001 0.000 0.264 783 V C 1.413 177.413 176.094 -0.156 0.000 1.107 783 V CA 0.023 62.244 62.300 -0.133 0.000 0.913 783 V CB 0.562 32.492 31.823 0.180 0.000 1.153 783 V HN 0.786 nan 8.190 nan 0.000 0.469 784 S N 2.639 118.219 115.700 -0.199 0.000 2.531 784 S HA -0.388 4.083 4.470 0.001 0.000 0.235 784 S C 1.762 176.306 174.600 -0.092 0.000 1.061 784 S CA 2.168 60.275 58.200 -0.155 0.000 1.250 784 S CB -0.331 62.795 63.200 -0.123 0.000 1.183 784 S HN 0.820 nan 8.310 nan 0.000 0.413 785 Q N 0.708 120.468 119.800 -0.067 0.000 2.508 785 Q HA -0.022 4.318 4.340 0.001 0.000 0.214 785 Q C 0.908 176.887 176.000 -0.035 0.000 0.979 785 Q CA 1.000 56.776 55.803 -0.045 0.000 0.911 785 Q CB 0.140 28.856 28.738 -0.038 0.000 0.969 785 Q HN 0.223 nan 8.270 nan 0.000 0.504 786 K N -1.334 119.046 120.400 -0.035 0.000 2.554 786 K HA 0.159 4.479 4.320 0.001 0.000 0.211 786 K C 0.357 176.958 176.600 0.001 0.000 1.226 786 K CA 0.143 56.418 56.287 -0.019 0.000 1.025 786 K CB 0.880 33.367 32.500 -0.021 0.000 1.021 786 K HN 0.235 nan 8.250 nan 0.000 0.600 787 M N -1.102 118.513 119.600 0.025 0.000 1.904 787 M HA 0.163 4.644 4.480 0.001 0.000 0.203 787 M C 1.463 177.806 176.300 0.072 0.000 1.379 787 M CA 0.601 55.941 55.300 0.068 0.000 0.949 787 M CB 0.448 33.151 32.600 0.172 0.000 1.612 787 M HN -0.105 nan 8.290 nan 0.000 0.585 788 R N 0.612 121.143 120.500 0.051 0.000 2.293 788 R HA 0.079 4.419 4.340 0.001 0.000 0.219 788 R C 1.459 177.760 176.300 0.001 0.000 1.091 788 R CA 1.380 57.482 56.100 0.003 0.000 1.004 788 R CB -0.065 30.167 30.300 -0.114 0.000 0.865 788 R HN 0.541 nan 8.270 nan 0.000 0.469 789 A N -0.265 122.548 122.820 -0.012 0.000 1.903 789 A HA -0.020 4.300 4.320 0.001 0.000 0.213 789 A C 1.968 179.545 177.584 -0.012 0.000 1.185 789 A CA 0.768 52.797 52.037 -0.014 0.000 0.628 789 A CB -0.279 18.707 19.000 -0.022 0.000 0.830 789 A HN 0.231 nan 8.150 nan 0.000 0.446 790 V N -0.318 119.588 119.914 -0.014 0.000 3.041 790 V HA 0.011 4.131 4.120 0.001 0.000 0.260 790 V C 2.569 178.643 176.094 -0.033 0.000 1.105 790 V CA 1.386 63.670 62.300 -0.027 0.000 1.125 790 V CB -0.340 31.462 31.823 -0.035 0.000 0.730 790 V HN 0.581 nan 8.190 nan 0.000 0.479 791 A N -0.047 122.767 122.820 -0.010 0.000 1.832 791 A HA -0.187 4.133 4.320 0.001 0.000 0.214 791 A C 1.968 179.545 177.584 -0.012 0.000 1.200 791 A CA 1.605 53.647 52.037 0.009 0.000 0.610 791 A CB -0.609 18.448 19.000 0.095 0.000 0.842 791 A HN 0.587 nan 8.150 nan 0.000 0.444 792 E N -0.164 120.039 120.200 0.006 0.000 2.284 792 E HA -0.256 4.094 4.350 0.001 0.000 0.200 792 E C 1.839 178.412 176.600 -0.045 0.000 1.008 792 E CA 1.205 57.603 56.400 -0.004 0.000 0.829 792 E CB -0.231 29.478 29.700 0.014 0.000 0.744 792 E HN 0.621 nan 8.360 nan 0.000 0.491 793 K N 0.659 121.022 120.400 -0.063 0.000 2.286 793 K HA -0.153 4.167 4.320 0.001 0.000 0.203 793 K C 1.216 177.683 176.600 -0.222 0.000 1.045 793 K CA 0.976 57.203 56.287 -0.099 0.000 0.935 793 K CB 0.263 32.716 32.500 -0.079 0.000 0.737 793 K HN -0.048 nan 8.250 nan 0.000 0.460 794 R N -0.455 119.895 120.500 -0.250 0.000 2.535 794 R HA 0.210 4.550 4.340 0.001 0.000 0.323 794 R C 0.270 176.308 176.300 -0.436 0.000 0.979 794 R CA -0.084 55.770 56.100 -0.410 0.000 1.120 794 R CB 0.276 30.432 30.300 -0.240 0.000 1.306 794 R HN -0.046 nan 8.270 nan 0.000 0.540 795 V N 1.604 121.368 119.914 -0.250 0.000 3.553 795 V HA 0.188 4.308 4.120 0.001 0.000 0.287 795 V C 0.575 176.741 176.094 0.119 0.000 1.111 795 V CA -0.449 61.819 62.300 -0.053 0.000 0.950 795 V CB 1.814 33.654 31.823 0.029 0.000 1.243 795 V HN 0.253 nan 8.190 nan 0.000 0.443 796 D N -1.090 119.545 120.400 0.392 0.000 2.627 796 D HA 0.079 4.719 4.640 0.001 0.000 0.259 796 D C 1.428 177.840 176.300 0.187 0.000 1.164 796 D CA 0.330 54.590 54.000 0.433 0.000 1.087 796 D CB 1.289 42.290 40.800 0.335 0.000 1.217 796 D HN 0.677 nan 8.370 nan 0.000 0.630 797 C N -0.209 119.174 119.300 0.139 0.000 2.422 797 C HA -0.040 4.420 4.460 0.001 0.000 0.279 797 C C 2.278 177.310 174.990 0.070 0.000 1.305 797 C CA 1.214 60.284 59.018 0.086 0.000 1.757 797 C CB -1.454 26.324 27.740 0.065 0.000 1.962 797 C HN 0.586 nan 8.230 nan 0.000 0.499 798 L N 0.816 122.083 121.223 0.073 0.000 2.519 798 L HA 0.605 4.945 4.340 0.001 0.000 0.194 798 L C 1.777 178.686 176.870 0.064 0.000 1.072 798 L CA 2.367 57.245 54.840 0.063 0.000 0.845 798 L CB -0.724 41.371 42.059 0.060 0.000 1.138 798 L HN 0.368 nan 8.230 nan 0.000 0.487 799 G N -0.666 108.176 108.800 0.070 0.000 2.892 799 G HA2 0.122 4.083 3.960 0.001 0.000 0.184 799 G HA3 0.122 4.083 3.960 0.001 0.000 0.184 799 G C -0.777 174.165 174.900 0.070 0.000 1.238 799 G CA 0.420 45.556 45.100 0.059 0.000 0.722 799 G HN 0.444 nan 8.290 nan 0.000 0.777 800 D N 1.751 122.196 120.400 0.075 0.000 2.302 800 D HA 0.462 5.102 4.640 0.001 0.000 0.248 800 D C 0.445 176.864 176.300 0.198 0.000 1.094 800 D CA -0.121 53.932 54.000 0.089 0.000 0.897 800 D CB 1.678 42.503 40.800 0.041 0.000 1.200 800 D HN 0.031 nan 8.370 nan 0.000 0.429 801 S N -0.087 115.710 115.700 0.161 0.000 2.680 801 S HA 0.056 4.527 4.470 0.001 0.000 0.249 801 S C 0.238 175.141 174.600 0.504 0.000 1.358 801 S CA -0.350 57.959 58.200 0.182 0.000 0.963 801 S CB -0.015 63.227 63.200 0.070 0.000 0.984 801 S HN 0.421 nan 8.310 nan 0.000 0.584 802 F N 1.046 120.986 119.950 -0.017 0.000 2.916 802 F HA 0.348 4.875 4.527 0.000 0.000 0.294 802 F C 1.420 177.194 175.800 -0.044 0.000 1.189 802 F CA -1.009 56.973 58.000 -0.029 0.000 1.369 802 F CB -1.623 37.362 39.000 -0.025 0.000 0.961 802 F HN 0.590 nan 8.300 nan 0.000 0.508 803 E N 1.573 121.853 120.200 0.132 0.000 3.661 803 E HA -0.224 4.126 4.350 0.001 0.000 0.496 803 E C 0.486 177.063 176.600 -0.038 0.000 0.758 803 E CA 0.957 57.379 56.400 0.038 0.000 3.172 803 E CB -0.015 29.708 29.700 0.038 0.000 1.108 803 E HN 0.206 nan 8.360 nan 0.000 0.458 804 N N 0.649 119.299 118.700 -0.085 0.000 2.497 804 N HA 0.019 4.759 4.740 0.001 0.000 0.284 804 N C -0.596 174.859 175.510 -0.092 0.000 1.459 804 N CA 0.773 53.702 53.050 -0.202 0.000 0.899 804 N CB -0.133 38.032 38.487 -0.537 0.000 1.316 804 N HN 0.319 nan 8.380 nan 0.000 0.500 805 D N 0.258 120.636 120.400 -0.037 0.000 3.344 805 D HA -0.308 4.332 4.640 0.001 0.000 0.544 805 D C 0.827 177.125 176.300 -0.003 0.000 0.547 805 D CA 2.191 56.181 54.000 -0.016 0.000 1.335 805 D CB -0.941 39.836 40.800 -0.039 0.000 0.245 805 D HN 0.527 nan 8.370 nan 0.000 0.211 806 I N -3.894 116.667 120.570 -0.014 0.000 2.797 806 I HA 0.668 4.839 4.170 0.001 0.000 0.307 806 I C -0.532 175.585 176.117 0.000 0.000 1.033 806 I CA -1.136 60.152 61.300 -0.021 0.000 1.071 806 I CB 2.239 40.202 38.000 -0.063 0.000 1.255 806 I HN 0.233 nan 8.210 nan 0.000 0.445 807 S N 1.687 117.379 115.700 -0.013 0.000 2.513 807 S HA 0.141 4.612 4.470 0.001 0.000 0.299 807 S C 0.804 175.385 174.600 -0.032 0.000 1.087 807 S CA -0.587 57.607 58.200 -0.009 0.000 1.012 807 S CB 1.504 64.703 63.200 -0.001 0.000 1.044 807 S HN 0.865 nan 8.310 nan 0.000 0.485 808 E N 2.495 122.681 120.200 -0.022 0.000 2.301 808 E HA -0.225 4.125 4.350 0.001 0.000 0.202 808 E C 1.152 177.743 176.600 -0.015 0.000 1.017 808 E CA 2.244 58.632 56.400 -0.020 0.000 0.831 808 E CB -0.279 29.420 29.700 -0.001 0.000 0.742 808 E HN 0.790 nan 8.360 nan 0.000 0.491 809 T N -1.413 113.133 114.554 -0.013 0.000 2.852 809 T HA 0.040 4.391 4.350 0.001 0.000 0.256 809 T C 1.924 176.609 174.700 -0.025 0.000 1.038 809 T CA 0.426 62.522 62.100 -0.005 0.000 1.141 809 T CB -0.154 68.715 68.868 0.000 0.000 0.869 809 T HN -0.053 nan 8.240 nan 0.000 0.439 810 K N 0.881 121.258 120.400 -0.039 0.000 2.286 810 K HA 0.058 4.378 4.320 0.001 0.000 0.203 810 K C 2.077 178.604 176.600 -0.121 0.000 1.045 810 K CA 0.586 56.840 56.287 -0.055 0.000 0.935 810 K CB -0.532 31.944 32.500 -0.040 0.000 0.737 810 K HN 0.405 nan 8.250 nan 0.000 0.460 811 L N 0.207 121.315 121.223 -0.192 0.000 1.982 811 L HA -0.172 4.168 4.340 0.001 0.000 0.206 811 L C 2.237 178.850 176.870 -0.428 0.000 1.078 811 L CA 1.252 55.811 54.840 -0.469 0.000 0.749 811 L CB -0.400 41.351 42.059 -0.514 0.000 0.894 811 L HN 0.025 nan 8.230 nan 0.000 0.436 812 S N -0.535 115.132 115.700 -0.056 0.000 2.423 812 S HA -0.212 4.258 4.470 0.001 0.000 0.238 812 S C 1.956 176.641 174.600 0.141 0.000 1.028 812 S CA 1.255 59.592 58.200 0.229 0.000 1.000 812 S CB -0.343 62.957 63.200 0.167 0.000 0.797 812 S HN 0.407 nan 8.310 nan 0.000 0.487 813 S N 1.571 117.293 115.700 0.036 0.000 2.436 813 S HA -0.020 4.450 4.470 0.001 0.000 0.215 813 S C 0.854 175.488 174.600 0.056 0.000 1.047 813 S CA 0.820 59.039 58.200 0.032 0.000 1.086 813 S CB -0.422 62.777 63.200 -0.002 0.000 1.072 813 S HN 0.362 nan 8.310 nan 0.000 0.411 814 L N 1.381 122.614 121.223 0.017 0.000 2.404 814 L HA 0.182 4.523 4.340 0.001 0.000 0.277 814 L C 0.187 177.137 176.870 0.134 0.000 1.184 814 L CA 0.176 55.046 54.840 0.050 0.000 1.013 814 L CB -0.100 41.970 42.059 0.017 0.000 1.318 814 L HN 0.395 nan 8.230 nan 0.000 0.435 815 Y N -0.044 120.261 120.300 0.009 0.000 2.899 815 Y HA -0.010 4.541 4.550 0.001 0.000 0.253 815 Y C 1.407 177.310 175.900 0.006 0.000 1.042 815 Y CA -0.448 57.655 58.100 0.006 0.000 1.295 815 Y CB 0.243 38.706 38.460 0.005 0.000 1.396 815 Y HN 0.172 nan 8.280 nan 0.000 0.489 816 K N 2.861 123.370 120.400 0.181 0.000 2.743 816 K HA 0.157 4.477 4.320 0.001 0.000 0.219 816 K C -0.393 176.243 176.600 0.059 0.000 1.003 816 K CA 0.760 57.092 56.287 0.074 0.000 1.156 816 K CB -0.783 31.756 32.500 0.066 0.000 0.932 816 K HN 0.344 nan 8.250 nan 0.000 0.490 817 S N 0.086 115.831 115.700 0.076 0.000 2.776 817 S HA 0.464 4.934 4.470 0.001 0.000 0.284 817 S C -0.873 173.761 174.600 0.057 0.000 1.160 817 S CA -0.969 57.266 58.200 0.058 0.000 1.051 817 S CB 1.415 64.651 63.200 0.059 0.000 1.037 817 S HN 0.261 nan 8.310 nan 0.000 0.485 818 Q N 1.496 121.318 119.800 0.036 0.000 2.721 818 Q HA 0.699 5.039 4.340 0.001 0.000 0.282 818 Q C -1.091 174.920 176.000 0.020 0.000 0.932 818 Q CA -1.130 54.692 55.803 0.031 0.000 0.816 818 Q CB 1.100 29.853 28.738 0.026 0.000 1.506 818 Q HN 0.623 nan 8.270 nan 0.000 0.399 819 L N -0.048 121.186 121.223 0.019 0.000 1.589 819 L HA 0.297 4.637 4.340 0.001 0.000 0.161 819 L C -0.416 176.463 176.870 0.014 0.000 1.300 819 L CA 1.096 55.944 54.840 0.014 0.000 1.196 819 L CB 0.761 42.828 42.059 0.014 0.000 2.497 819 L HN 0.706 nan 8.230 nan 0.000 0.492 820 S N 1.190 116.902 115.700 0.019 0.000 2.528 820 S HA 0.663 5.134 4.470 0.001 0.000 0.277 820 S C -0.574 174.037 174.600 0.020 0.000 1.297 820 S CA -0.146 58.066 58.200 0.019 0.000 1.052 820 S CB 0.004 63.217 63.200 0.022 0.000 0.917 820 S HN 0.268 nan 8.310 nan 0.000 0.492 821 L N 5.784 127.016 121.223 0.015 0.000 2.752 821 L HA 0.312 4.653 4.340 0.001 0.000 0.257 821 L C -2.578 174.299 176.870 0.012 0.000 0.968 821 L CA -1.177 53.672 54.840 0.015 0.000 0.953 821 L CB 2.314 44.379 42.059 0.010 0.000 1.286 821 L HN 0.558 nan 8.230 nan 0.000 0.443 822 P HA 0.271 nan 4.420 nan 0.000 0.273 822 P C -2.007 175.298 177.300 0.008 0.000 1.319 822 P CA -0.731 62.375 63.100 0.011 0.000 0.885 822 P CB -0.040 31.667 31.700 0.012 0.000 1.015 823 P HA -0.043 nan 4.420 nan 0.000 0.296 823 P C 0.740 178.042 177.300 0.004 0.000 1.358 823 P CA -0.053 63.050 63.100 0.005 0.000 0.876 823 P CB 0.052 31.755 31.700 0.006 0.000 1.471 824 M N -1.875 117.727 119.600 0.003 0.000 1.703 824 M HA 0.480 4.960 4.480 0.001 0.000 0.160 824 M C 0.593 176.895 176.300 0.002 0.000 1.205 824 M CA 0.771 56.071 55.300 0.001 0.000 0.775 824 M CB -0.238 32.361 32.600 -0.000 0.000 1.051 824 M HN 0.505 nan 8.290 nan 0.000 0.417 825 G N -0.813 107.988 108.800 0.001 0.000 2.347 825 G HA2 0.178 4.138 3.960 0.001 0.000 0.224 825 G HA3 0.178 4.138 3.960 0.001 0.000 0.224 825 G C -1.825 173.080 174.900 0.008 0.000 1.318 825 G CA -0.699 44.405 45.100 0.006 0.000 1.016 825 G HN 0.777 nan 8.290 nan 0.000 0.469 826 E N 0.015 120.223 120.200 0.013 0.000 2.202 826 E HA 0.775 5.125 4.350 0.001 0.000 0.272 826 E C -0.678 175.933 176.600 0.017 0.000 0.951 826 E CA -0.469 55.945 56.400 0.022 0.000 0.813 826 E CB 2.339 32.058 29.700 0.032 0.000 1.151 826 E HN 0.494 nan 8.360 nan 0.000 0.398 827 L N 0.351 121.587 121.223 0.022 0.000 2.409 827 L HA 0.375 4.715 4.340 0.001 0.000 0.255 827 L C 0.442 177.333 176.870 0.036 0.000 1.027 827 L CA -0.480 54.371 54.840 0.018 0.000 0.834 827 L CB 2.055 44.115 42.059 0.002 0.000 1.426 827 L HN 0.456 nan 8.230 nan 0.000 0.411 828 E N 1.868 122.086 120.200 0.030 0.000 2.921 828 E HA 0.318 4.668 4.350 0.001 0.000 0.203 828 E C -1.348 175.272 176.600 0.034 0.000 0.975 828 E CA 0.038 56.463 56.400 0.042 0.000 1.225 828 E CB 1.202 30.924 29.700 0.037 0.000 1.048 828 E HN 0.425 nan 8.360 nan 0.000 0.477 829 I N -1.921 118.663 120.570 0.023 0.000 2.787 829 I HA 0.298 4.469 4.170 0.001 0.000 0.294 829 I C -0.366 175.754 176.117 0.005 0.000 1.365 829 I CA -0.968 60.341 61.300 0.016 0.000 1.029 829 I CB 1.493 39.498 38.000 0.008 0.000 1.313 829 I HN -0.187 nan 8.210 nan 0.000 0.431 830 D N 2.962 123.363 120.400 0.001 0.000 3.161 830 D HA 0.668 5.309 4.640 0.001 0.000 0.224 830 D C 0.246 176.538 176.300 -0.015 0.000 1.180 830 D CA 0.295 54.288 54.000 -0.012 0.000 1.207 830 D CB 1.130 41.920 40.800 -0.017 0.000 1.008 830 D HN 0.563 nan 8.370 nan 0.000 0.316 831 S N -1.710 113.980 115.700 -0.017 0.000 4.319 831 S HA 0.168 4.638 4.470 0.001 0.000 0.257 831 S C -1.093 173.498 174.600 -0.015 0.000 0.986 831 S CA -0.324 57.869 58.200 -0.013 0.000 1.189 831 S CB -0.221 62.974 63.200 -0.008 0.000 1.909 831 S HN 0.409 nan 8.310 nan 0.000 0.462 832 E N 0.642 120.833 120.200 -0.015 0.000 2.736 832 E HA 0.463 4.814 4.350 0.001 0.000 0.208 832 E C -1.602 174.983 176.600 -0.025 0.000 0.996 832 E CA 0.062 56.451 56.400 -0.018 0.000 1.104 832 E CB 1.361 31.054 29.700 -0.012 0.000 1.111 832 E HN 0.147 nan 8.360 nan 0.000 0.455 833 V N 1.493 121.388 119.914 -0.032 0.000 2.707 833 V HA 0.363 4.484 4.120 0.001 0.000 0.271 833 V C -0.776 175.280 176.094 -0.063 0.000 1.013 833 V CA -0.716 61.559 62.300 -0.041 0.000 0.908 833 V CB 1.462 33.267 31.823 -0.029 0.000 1.051 833 V HN 0.106 nan 8.190 nan 0.000 0.476 834 R N 3.602 124.057 120.500 -0.074 0.000 2.604 834 R HA 0.749 5.089 4.340 0.001 0.000 0.261 834 R C -1.466 174.779 176.300 -0.091 0.000 1.080 834 R CA -0.601 55.432 56.100 -0.111 0.000 0.917 834 R CB 2.797 33.033 30.300 -0.108 0.000 1.252 834 R HN 0.788 nan 8.270 nan 0.000 0.456 835 R N 1.698 122.121 120.500 -0.129 0.000 2.692 835 R HA 0.525 4.865 4.340 0.001 0.000 0.269 835 R C -1.402 174.826 176.300 -0.120 0.000 1.030 835 R CA -0.601 55.484 56.100 -0.025 0.000 0.882 835 R CB 1.629 31.932 30.300 0.004 0.000 1.250 835 R HN 0.301 nan 8.270 nan 0.000 0.465 836 F N 1.702 121.677 119.950 0.041 0.000 2.561 836 F HA 0.557 5.085 4.527 0.000 0.000 0.321 836 F C -1.866 173.926 175.800 -0.014 0.000 1.065 836 F CA -2.173 55.827 58.000 -0.000 0.000 0.934 836 F CB 1.794 40.802 39.000 0.013 0.000 1.215 836 F HN 0.309 nan 8.300 nan 0.000 0.471 837 P HA 0.224 nan 4.420 nan 0.000 0.269 837 P C -1.106 176.216 177.300 0.038 0.000 1.217 837 P CA 0.245 63.384 63.100 0.064 0.000 0.783 837 P CB 0.829 32.562 31.700 0.055 0.000 0.898 838 L N -3.710 117.521 121.223 0.014 0.000 3.064 838 L HA 0.786 5.126 4.340 0.001 0.000 0.282 838 L C -0.753 176.122 176.870 0.009 0.000 1.045 838 L CA -1.127 53.718 54.840 0.008 0.000 0.986 838 L CB 0.173 42.242 42.059 0.018 0.000 1.571 838 L HN 0.361 nan 8.230 nan 0.000 0.377 860 E N 1.869 122.093 120.200 0.039 0.000 2.055 860 E HA -0.303 4.047 4.350 0.001 0.000 0.209 860 E C 2.198 178.831 176.600 0.055 0.000 1.036 860 E CA 3.169 59.593 56.400 0.041 0.000 0.849 860 E CB -0.009 29.713 29.700 0.038 0.000 0.767 860 E HN 0.399 nan 8.360 nan 0.000 0.461 861 M N 0.627 120.264 119.600 0.063 0.000 2.065 861 M HA -0.138 4.342 4.480 0.001 0.000 0.259 861 M C 2.160 178.514 176.300 0.089 0.000 1.069 861 M CA 1.829 57.175 55.300 0.077 0.000 1.110 861 M CB -1.291 31.356 32.600 0.080 0.000 1.328 861 M HN -0.122 nan 8.290 nan 0.000 0.405 862 K N 0.552 121.006 120.400 0.091 0.000 2.074 862 K HA -0.009 4.311 4.320 0.001 0.000 0.209 862 K C 2.070 178.770 176.600 0.167 0.000 1.048 862 K CA 1.706 58.066 56.287 0.121 0.000 0.926 862 K CB -0.336 32.232 32.500 0.113 0.000 0.713 862 K HN 0.462 nan 8.250 nan 0.000 0.444 863 I N -0.168 120.481 120.570 0.132 0.000 3.030 863 I HA -0.132 4.039 4.170 0.001 0.000 0.270 863 I C 1.408 177.610 176.117 0.142 0.000 1.211 863 I CA 0.649 62.041 61.300 0.153 0.000 1.479 863 I CB 0.160 38.193 38.000 0.055 0.000 1.105 863 I HN 0.077 nan 8.210 nan 0.000 0.447 864 K N 0.171 120.628 120.400 0.095 0.000 2.360 864 K HA -0.142 4.178 4.320 0.001 0.000 0.201 864 K C 1.792 178.432 176.600 0.066 0.000 1.046 864 K CA 0.782 57.108 56.287 0.065 0.000 0.945 864 K CB 0.074 32.599 32.500 0.041 0.000 0.750 864 K HN 0.178 nan 8.250 nan 0.000 0.464 865 L N -0.410 120.872 121.223 0.099 0.000 2.023 865 L HA -0.083 4.257 4.340 0.001 0.000 0.205 865 L C 1.847 178.759 176.870 0.069 0.000 1.073 865 L CA 1.686 56.569 54.840 0.072 0.000 0.745 865 L CB -0.790 41.315 42.059 0.076 0.000 0.900 865 L HN 0.107 nan 8.230 nan 0.000 0.435 866 F N 0.795 120.748 119.950 0.006 0.000 2.060 866 F HA -0.041 4.487 4.527 0.001 0.000 0.295 866 F C 2.451 178.242 175.800 -0.015 0.000 1.120 866 F CA 1.379 59.377 58.000 -0.004 0.000 1.205 866 F CB -1.089 37.912 39.000 0.000 0.000 0.986 866 F HN 0.196 nan 8.300 nan 0.000 0.470 867 G N -0.788 108.158 108.800 0.244 0.000 2.845 867 G HA2 -0.150 3.810 3.960 0.001 0.000 0.224 867 G HA3 -0.150 3.810 3.960 0.001 0.000 0.224 867 G C 0.937 175.887 174.900 0.084 0.000 1.073 867 G CA 1.113 46.283 45.100 0.118 0.000 0.713 867 G HN 0.740 nan 8.290 nan 0.000 0.625 868 G N -0.947 107.897 108.800 0.074 0.000 3.594 868 G HA2 0.497 4.457 3.960 0.001 0.000 0.295 868 G HA3 0.497 4.457 3.960 0.001 0.000 0.295 868 G C -0.330 174.548 174.900 -0.036 0.000 1.576 868 G CA 0.044 45.152 45.100 0.013 0.000 0.661 868 G HN 0.628 nan 8.290 nan 0.000 0.452 869 K N 0.559 120.926 120.400 -0.055 0.000 6.691 869 K HA -0.156 4.165 4.320 0.001 0.000 0.741 869 K C -0.777 175.702 176.600 -0.200 0.000 2.096 869 K CA 0.825 57.032 56.287 -0.133 0.000 1.671 869 K CB -0.769 31.646 32.500 -0.142 0.000 1.891 869 K HN 1.081 nan 8.250 nan 0.000 0.314 870 I N 2.267 122.666 120.570 -0.285 0.000 3.981 870 I HA 0.516 4.687 4.170 0.001 0.000 0.248 870 I C 0.397 176.268 176.117 -0.410 0.000 0.862 870 I CA 1.506 62.594 61.300 -0.353 0.000 1.956 870 I CB 0.797 38.521 38.000 -0.459 0.000 1.107 870 I HN 1.097 nan 8.210 nan 0.000 0.394 871 T N -3.052 111.118 114.554 -0.640 0.000 3.810 871 T HA 0.172 4.523 4.350 0.001 0.000 0.212 871 T C 0.354 174.789 174.700 -0.442 0.000 0.547 871 T CA 0.468 62.293 62.100 -0.458 0.000 1.048 871 T CB -0.772 67.986 68.868 -0.183 0.000 0.668 871 T HN 1.063 nan 8.240 nan 0.000 0.321 872 D N 1.242 121.498 120.400 -0.240 0.000 4.640 872 D HA -0.158 4.483 4.640 0.001 0.000 0.135 872 D C -1.029 175.270 176.300 -0.002 0.000 0.752 872 D CA 2.074 56.031 54.000 -0.072 0.000 1.019 872 D CB -1.363 39.455 40.800 0.029 0.000 0.618 872 D HN 1.124 nan 8.370 nan 0.000 0.594 873 Q N -0.388 119.440 119.800 0.048 0.000 2.058 873 Q HA -0.066 4.274 4.340 0.001 0.000 0.261 873 Q C -0.745 175.274 176.000 0.032 0.000 0.798 873 Q CA 0.932 56.759 55.803 0.040 0.000 0.445 873 Q CB -0.831 27.919 28.738 0.019 0.000 0.519 873 Q HN 0.400 nan 8.270 nan 0.000 0.320 874 Q N 0.776 120.597 119.800 0.035 0.000 2.294 874 Q HA 0.358 4.698 4.340 0.001 0.000 0.256 874 Q C -0.385 175.625 176.000 0.017 0.000 0.907 874 Q CA 0.134 55.954 55.803 0.028 0.000 0.954 874 Q CB 0.606 29.363 28.738 0.031 0.000 1.102 874 Q HN 0.423 nan 8.270 nan 0.000 0.429 875 S N 1.176 116.883 115.700 0.012 0.000 2.607 875 S HA 0.242 4.712 4.470 0.001 0.000 0.273 875 S C -0.517 174.083 174.600 0.001 0.000 1.148 875 S CA -1.005 57.199 58.200 0.005 0.000 0.833 875 S CB 1.600 64.803 63.200 0.005 0.000 1.130 875 S HN 0.477 nan 8.310 nan 0.000 0.470 876 L N 1.119 122.339 121.223 -0.004 0.000 3.435 876 L HA -0.018 4.322 4.340 0.001 0.000 0.345 876 L C -0.725 176.139 176.870 -0.009 0.000 0.884 876 L CA 0.514 55.349 54.840 -0.008 0.000 0.973 876 L CB -2.476 39.577 42.059 -0.010 0.000 1.572 876 L HN 0.823 nan 8.230 nan 0.000 0.530 877 C N 3.822 123.115 119.300 -0.011 0.000 3.285 877 C HA 0.325 4.786 4.460 0.001 0.000 0.325 877 C C 1.762 176.739 174.990 -0.022 0.000 1.304 877 C CA -0.003 59.007 59.018 -0.013 0.000 1.319 877 C CB 1.563 29.301 27.740 -0.003 0.000 1.640 877 C HN 1.029 nan 8.230 nan 0.000 0.477 878 N N 0.795 119.476 118.700 -0.030 0.000 1.457 878 N HA -0.259 4.481 4.740 0.001 0.000 0.122 878 N C 0.011 175.483 175.510 -0.063 0.000 0.316 878 N CA 2.718 55.739 53.050 -0.049 0.000 1.240 878 N CB -0.270 38.196 38.487 -0.035 0.000 0.585 878 N HN 0.649 nan 8.380 nan 0.000 1.386 879 L N -0.884 120.309 121.223 -0.049 0.000 2.491 879 L HA 0.506 4.847 4.340 0.001 0.000 0.254 879 L C -1.246 175.586 176.870 -0.063 0.000 1.048 879 L CA -0.799 53.992 54.840 -0.080 0.000 0.855 879 L CB 1.876 43.883 42.059 -0.086 0.000 1.466 879 L HN 0.036 nan 8.230 nan 0.000 0.409 880 I N 3.081 123.599 120.570 -0.087 0.000 2.468 880 I HA 0.330 4.500 4.170 0.001 0.000 0.284 880 I C -0.331 175.741 176.117 -0.074 0.000 1.038 880 I CA -0.607 60.654 61.300 -0.065 0.000 1.083 880 I CB 1.840 39.801 38.000 -0.064 0.000 1.223 880 I HN 0.407 nan 8.210 nan 0.000 0.443 881 I N 5.919 126.471 120.570 -0.031 0.000 2.488 881 I HA 0.712 4.883 4.170 0.001 0.000 0.299 881 I C -0.471 175.624 176.117 -0.037 0.000 0.984 881 I CA -0.316 60.979 61.300 -0.008 0.000 1.250 881 I CB 1.515 39.568 38.000 0.087 0.000 1.389 881 I HN 0.478 nan 8.210 nan 0.000 0.488 882 I N 2.029 122.549 120.570 -0.082 0.000 2.582 882 I HA 0.619 4.789 4.170 0.001 0.000 0.292 882 I C -2.677 173.366 176.117 -0.124 0.000 1.066 882 I CA -2.372 58.854 61.300 -0.122 0.000 1.053 882 I CB 1.701 39.567 38.000 -0.223 0.000 1.241 882 I HN 0.299 nan 8.210 nan 0.000 0.421 883 P HA 0.172 nan 4.420 nan 0.000 0.274 883 P C -0.724 176.593 177.300 0.029 0.000 1.291 883 P CA 0.136 63.236 63.100 -0.000 0.000 0.815 883 P CB -0.028 31.684 31.700 0.020 0.000 0.897 884 Y N 3.048 123.359 120.300 0.018 0.000 2.536 884 Y HA -0.047 4.503 4.550 0.001 0.000 0.354 884 Y C 2.232 178.137 175.900 0.008 0.000 1.266 884 Y CA 2.022 60.133 58.100 0.018 0.000 1.494 884 Y CB 0.042 38.532 38.460 0.049 0.000 1.355 884 Y HN 0.735 nan 8.280 nan 0.000 0.683 885 T N -3.829 110.935 114.554 0.349 0.000 11.332 885 T HA -0.143 4.207 4.350 0.001 0.000 0.363 885 T C 0.035 174.785 174.700 0.082 0.000 1.811 885 T CA 0.350 62.531 62.100 0.135 0.000 3.028 885 T CB -1.605 67.310 68.868 0.077 0.000 2.124 885 T HN 0.693 nan 8.240 nan 0.000 0.302 886 D N 2.637 123.077 120.400 0.066 0.000 2.723 886 D HA 0.450 5.091 4.640 0.001 0.000 0.205 886 D C -1.837 174.483 176.300 0.034 0.000 1.295 886 D CA 0.063 54.087 54.000 0.041 0.000 1.112 886 D CB -0.617 40.199 40.800 0.026 0.000 1.193 886 D HN 0.411 nan 8.370 nan 0.000 0.610 887 P HA 0.048 nan 4.420 nan 0.000 0.239 887 P C 1.436 178.744 177.300 0.013 0.000 1.184 887 P CA 0.921 64.031 63.100 0.017 0.000 0.760 887 P CB 0.022 31.731 31.700 0.014 0.000 0.884 888 I N -4.458 116.123 120.570 0.017 0.000 3.523 888 I HA 0.076 4.246 4.170 0.001 0.000 0.244 888 I C 2.158 178.278 176.117 0.005 0.000 1.110 888 I CA 0.243 61.550 61.300 0.012 0.000 1.517 888 I CB -0.762 37.247 38.000 0.015 0.000 1.505 888 I HN -0.299 nan 8.210 nan 0.000 0.460 889 L N 0.660 121.893 121.223 0.016 0.000 2.013 889 L HA 0.117 4.457 4.340 0.001 0.000 0.204 889 L C 2.876 179.733 176.870 -0.021 0.000 1.081 889 L CA 1.386 56.227 54.840 0.003 0.000 0.751 889 L CB -0.783 41.294 42.059 0.029 0.000 0.901 889 L HN 0.196 nan 8.230 nan 0.000 0.440 890 R N 0.416 120.928 120.500 0.020 0.000 2.143 890 R HA -0.261 4.079 4.340 0.001 0.000 0.239 890 R C 2.308 178.572 176.300 -0.060 0.000 1.126 890 R CA 2.314 58.411 56.100 -0.005 0.000 0.927 890 R CB -0.203 30.163 30.300 0.110 0.000 0.860 890 R HN 0.327 nan 8.270 nan 0.000 0.433 891 K N -0.582 119.806 120.400 -0.019 0.000 2.021 891 K HA -0.123 4.197 4.320 0.001 0.000 0.205 891 K C 1.835 178.420 176.600 -0.025 0.000 1.047 891 K CA 1.495 57.769 56.287 -0.022 0.000 0.943 891 K CB -0.223 32.279 32.500 0.002 0.000 0.725 891 K HN 0.282 nan 8.250 nan 0.000 0.439 892 D N 0.370 120.760 120.400 -0.016 0.000 2.269 892 D HA -0.102 4.538 4.640 0.001 0.000 0.208 892 D C 1.493 177.778 176.300 -0.024 0.000 0.963 892 D CA 0.796 54.789 54.000 -0.012 0.000 0.864 892 D CB 0.011 40.808 40.800 -0.004 0.000 0.936 892 D HN 0.135 nan 8.370 nan 0.000 0.505 893 C N -0.134 119.137 119.300 -0.047 0.000 2.486 893 C HA 0.139 4.599 4.460 0.001 0.000 0.279 893 C C 2.211 177.143 174.990 -0.097 0.000 1.302 893 C CA -0.001 58.975 59.018 -0.070 0.000 1.720 893 C CB -0.806 26.879 27.740 -0.092 0.000 2.030 893 C HN 0.366 nan 8.230 nan 0.000 0.490 894 M N 2.207 121.718 119.600 -0.148 0.000 2.706 894 M HA 0.036 4.517 4.480 0.001 0.000 0.251 894 M C 0.654 176.954 176.300 -0.000 0.000 1.070 894 M CA -0.409 54.797 55.300 -0.157 0.000 1.073 894 M CB -2.427 30.029 32.600 -0.241 0.000 1.449 894 M HN 0.547 nan 8.290 nan 0.000 0.531 895 N N 1.506 120.203 118.700 -0.004 0.000 2.024 895 N HA -0.210 4.530 4.740 0.001 0.000 0.282 895 N C 0.858 176.412 175.510 0.073 0.000 1.234 895 N CA 1.124 54.189 53.050 0.025 0.000 0.817 895 N CB 0.327 38.817 38.487 0.005 0.000 1.051 895 N HN 0.414 nan 8.380 nan 0.000 0.478 896 E N 0.510 120.746 120.200 0.059 0.000 2.826 896 E HA -0.380 3.970 4.350 0.001 0.000 0.299 896 E C 1.009 177.604 176.600 -0.008 0.000 1.256 896 E CA 2.136 58.541 56.400 0.008 0.000 1.237 896 E CB -0.292 29.409 29.700 0.002 0.000 1.040 896 E HN 0.532 nan 8.360 nan 0.000 0.336 897 V N -0.060 119.862 119.914 0.015 0.000 2.878 897 V HA -0.154 3.967 4.120 0.001 0.000 0.250 897 V C 2.152 178.259 176.094 0.022 0.000 1.075 897 V CA 1.642 63.945 62.300 0.004 0.000 1.096 897 V CB -0.407 31.416 31.823 -0.001 0.000 0.724 897 V HN 0.466 nan 8.190 nan 0.000 0.467 898 H N 0.760 119.802 119.070 -0.046 0.000 2.518 898 H HA -0.170 4.386 4.556 0.001 0.000 0.292 898 H C 2.027 177.340 175.328 -0.025 0.000 1.068 898 H CA 1.779 57.803 56.048 -0.040 0.000 1.275 898 H CB 0.309 30.041 29.762 -0.050 0.000 1.375 898 H HN 0.593 nan 8.280 nan 0.000 0.563 899 E N 0.936 120.997 120.200 -0.232 0.000 2.166 899 E HA -0.047 4.304 4.350 0.001 0.000 0.192 899 E C 1.354 177.875 176.600 -0.131 0.000 0.967 899 E CA -0.160 56.092 56.400 -0.247 0.000 0.840 899 E CB 0.247 29.859 29.700 -0.146 0.000 0.795 899 E HN 0.295 nan 8.360 nan 0.000 0.470 900 K N 0.971 121.326 120.400 -0.075 0.000 2.664 900 K HA -0.051 4.269 4.320 0.001 0.000 0.193 900 K C 1.463 178.034 176.600 -0.048 0.000 1.028 900 K CA 0.239 56.497 56.287 -0.049 0.000 1.005 900 K CB 0.216 32.699 32.500 -0.028 0.000 0.815 900 K HN 0.275 nan 8.250 nan 0.000 0.496 901 I N 0.220 120.749 120.570 -0.068 0.000 2.810 901 I HA -0.059 4.111 4.170 0.001 0.000 0.262 901 I C 0.976 177.055 176.117 -0.062 0.000 1.131 901 I CA 0.709 61.975 61.300 -0.055 0.000 1.453 901 I CB -0.318 37.654 38.000 -0.048 0.000 1.161 901 I HN -0.037 nan 8.210 nan 0.000 0.444 902 K N 1.765 122.111 120.400 -0.091 0.000 3.277 902 K HA 0.044 4.364 4.320 0.001 0.000 0.280 902 K C 0.763 177.328 176.600 -0.058 0.000 1.182 902 K CA 0.048 56.289 56.287 -0.077 0.000 1.219 902 K CB 0.449 32.888 32.500 -0.100 0.000 1.373 902 K HN 0.162 nan 8.250 nan 0.000 0.392 903 E N 0.076 120.248 120.200 -0.046 0.000 2.391 903 E HA -0.023 4.327 4.350 0.001 0.000 0.206 903 E C 1.441 178.024 176.600 -0.027 0.000 0.851 903 E CA 0.373 56.753 56.400 -0.033 0.000 1.059 903 E CB 0.436 30.119 29.700 -0.029 0.000 1.065 903 E HN 0.266 nan 8.360 nan 0.000 0.512 904 Q N 0.803 120.586 119.800 -0.028 0.000 2.173 904 Q HA -0.131 4.210 4.340 0.001 0.000 0.208 904 Q C 2.133 178.120 176.000 -0.021 0.000 0.989 904 Q CA 1.653 57.443 55.803 -0.023 0.000 0.872 904 Q CB -0.132 28.592 28.738 -0.023 0.000 0.909 904 Q HN 0.326 nan 8.270 nan 0.000 0.420 905 I N -0.441 120.114 120.570 -0.024 0.000 2.333 905 I HA -0.181 3.989 4.170 0.001 0.000 0.246 905 I C 2.266 178.371 176.117 -0.019 0.000 1.106 905 I CA 0.801 62.088 61.300 -0.022 0.000 1.411 905 I CB -0.469 37.517 38.000 -0.024 0.000 1.082 905 I HN 0.127 nan 8.210 nan 0.000 0.420 906 K N 1.577 121.965 120.400 -0.020 0.000 2.074 906 K HA -0.193 4.127 4.320 0.001 0.000 0.209 906 K C 1.869 178.460 176.600 -0.015 0.000 1.048 906 K CA 1.592 57.869 56.287 -0.017 0.000 0.926 906 K CB -0.010 32.478 32.500 -0.019 0.000 0.713 906 K HN 0.354 nan 8.250 nan 0.000 0.444 907 A N 0.732 123.543 122.820 -0.016 0.000 3.470 907 A HA 0.014 4.334 4.320 0.001 0.000 0.174 907 A C 0.520 178.096 177.584 -0.013 0.000 1.652 907 A CA 0.647 52.675 52.037 -0.014 0.000 0.777 907 A CB -1.045 17.947 19.000 -0.014 0.000 1.128 907 A HN 0.385 nan 8.150 nan 0.000 0.452 908 S N -0.010 115.682 115.700 -0.013 0.000 3.116 908 S HA -0.153 4.317 4.470 0.001 0.000 0.373 908 S C 0.643 175.236 174.600 -0.012 0.000 1.193 908 S CA 0.931 59.124 58.200 -0.012 0.000 0.972 908 S CB -0.310 62.882 63.200 -0.013 0.000 0.671 908 S HN 0.471 nan 8.310 nan 0.000 0.488 909 D N 2.432 122.826 120.400 -0.010 0.000 2.084 909 D HA 0.009 4.650 4.640 0.001 0.000 0.194 909 D C 1.279 177.573 176.300 -0.010 0.000 0.990 909 D CA 1.950 55.944 54.000 -0.010 0.000 0.826 909 D CB -0.224 40.571 40.800 -0.008 0.000 0.971 909 D HN 0.825 nan 8.370 nan 0.000 0.453 910 T N -0.987 113.561 114.554 -0.011 0.000 2.810 910 T HA 0.360 4.711 4.350 0.001 0.000 0.277 910 T C 0.550 175.243 174.700 -0.013 0.000 0.973 910 T CA -0.862 61.232 62.100 -0.011 0.000 0.949 910 T CB 0.756 69.617 68.868 -0.011 0.000 1.075 910 T HN -0.151 nan 8.240 nan 0.000 0.537 911 I N 2.786 123.348 120.570 -0.013 0.000 2.664 911 I HA 0.153 4.324 4.170 0.001 0.000 0.284 911 I C -1.986 174.121 176.117 -0.016 0.000 1.154 911 I CA -1.506 59.785 61.300 -0.015 0.000 1.402 911 I CB -0.468 37.523 38.000 -0.014 0.000 1.395 911 I HN 0.440 nan 8.210 nan 0.000 0.545 912 P HA 0.040 nan 4.420 nan 0.000 0.264 912 P C -0.642 176.646 177.300 -0.020 0.000 1.229 912 P CA -0.603 62.485 63.100 -0.019 0.000 0.780 912 P CB 0.092 31.780 31.700 -0.019 0.000 0.808 913 K N 4.109 124.495 120.400 -0.023 0.000 2.586 913 K HA 0.006 4.326 4.320 0.001 0.000 0.280 913 K C -0.502 176.082 176.600 -0.027 0.000 0.972 913 K CA 0.371 56.642 56.287 -0.027 0.000 1.040 913 K CB 0.118 32.597 32.500 -0.034 0.000 0.870 913 K HN 0.350 nan 8.250 nan 0.000 0.497 914 I N 2.281 122.835 120.570 -0.026 0.000 2.359 914 I HA 0.258 4.428 4.170 0.001 0.000 0.294 914 I C 0.349 176.446 176.117 -0.032 0.000 0.987 914 I CA -0.802 60.485 61.300 -0.021 0.000 1.225 914 I CB 1.725 39.719 38.000 -0.011 0.000 1.366 914 I HN 0.858 nan 8.210 nan 0.000 0.466 915 A N 7.129 129.928 122.820 -0.035 0.000 2.242 915 A HA 0.648 4.969 4.320 0.001 0.000 0.304 915 A C 0.041 177.590 177.584 -0.058 0.000 1.100 915 A CA -0.591 51.413 52.037 -0.056 0.000 0.860 915 A CB 0.632 19.596 19.000 -0.059 0.000 1.168 915 A HN 0.720 nan 8.150 nan 0.000 0.503 916 R N -0.818 119.625 120.500 -0.095 0.000 2.459 916 R HA 0.453 4.793 4.340 0.001 0.000 0.281 916 R C -0.772 175.456 176.300 -0.120 0.000 1.050 916 R CA -0.379 55.654 56.100 -0.112 0.000 1.055 916 R CB 1.223 31.425 30.300 -0.164 0.000 1.045 916 R HN 0.599 nan 8.270 nan 0.000 0.495 917 V N 0.303 120.174 119.914 -0.071 0.000 2.350 917 V HA 0.568 4.688 4.120 0.001 0.000 0.285 917 V C -0.345 175.766 176.094 0.030 0.000 1.014 917 V CA -0.777 61.511 62.300 -0.020 0.000 0.831 917 V CB 1.384 33.248 31.823 0.069 0.000 1.000 917 V HN 0.474 nan 8.190 nan 0.000 0.433 918 V N 2.561 122.426 119.914 -0.083 0.000 2.588 918 V HA 0.936 5.057 4.120 0.001 0.000 0.304 918 V C 0.857 176.972 176.094 0.035 0.000 1.042 918 V CA -0.606 61.663 62.300 -0.053 0.000 0.877 918 V CB 0.933 32.536 31.823 -0.366 0.000 0.996 918 V HN 1.573 nan 8.190 nan 0.000 0.425 919 A N 6.421 129.296 122.820 0.091 0.000 2.624 919 A HA 0.228 4.548 4.320 0.001 0.000 0.231 919 A C -0.621 177.050 177.584 0.146 0.000 1.034 919 A CA 0.400 52.415 52.037 -0.037 0.000 0.754 919 A CB -0.330 18.675 19.000 0.009 0.000 0.953 919 A HN 0.834 nan 8.150 nan 0.000 0.509 920 P HA -0.195 nan 4.420 nan 0.000 0.215 920 P C 1.164 178.619 177.300 0.259 0.000 1.153 920 P CA 1.290 64.495 63.100 0.175 0.000 0.853 920 P CB -0.059 31.718 31.700 0.130 0.000 0.788 921 E N -0.978 119.399 120.200 0.296 0.000 2.451 921 E HA -0.270 4.080 4.350 0.001 0.000 0.241 921 E C 1.658 178.579 176.600 0.535 0.000 1.139 921 E CA 1.877 58.503 56.400 0.377 0.000 1.034 921 E CB -1.057 28.898 29.700 0.424 0.000 0.867 921 E HN 0.378 nan 8.360 nan 0.000 0.459 922 W N 1.113 122.594 121.300 0.302 0.000 2.309 922 W HA -0.263 4.397 4.660 0.001 0.000 0.326 922 W C 2.401 178.664 176.519 -0.427 0.000 1.222 922 W CA 2.261 59.596 57.345 -0.017 0.000 1.237 922 W CB -0.934 28.576 29.460 0.084 0.000 1.180 922 W HN -0.121 nan 8.180 nan 0.000 0.456 923 V N 1.814 121.676 119.914 -0.086 0.000 2.251 923 V HA -0.497 3.623 4.120 0.001 0.000 0.259 923 V C 2.238 178.089 176.094 -0.404 0.000 1.078 923 V CA 2.538 64.647 62.300 -0.319 0.000 1.072 923 V CB -1.243 30.615 31.823 0.059 0.000 0.681 923 V HN 0.329 nan 8.190 nan 0.000 0.454 924 D N -0.740 119.552 120.400 -0.180 0.000 2.088 924 D HA -0.180 4.460 4.640 0.001 0.000 0.191 924 D C 1.861 178.049 176.300 -0.187 0.000 0.992 924 D CA 1.829 55.753 54.000 -0.125 0.000 0.831 924 D CB -0.532 40.272 40.800 0.007 0.000 0.973 924 D HN 0.816 nan 8.370 nan 0.000 0.447 925 H N -0.031 118.965 119.070 -0.124 0.000 2.568 925 H HA 0.075 4.631 4.556 0.001 0.000 0.281 925 H C 1.435 176.637 175.328 -0.210 0.000 1.028 925 H CA 0.869 56.847 56.048 -0.116 0.000 1.199 925 H CB 0.218 29.952 29.762 -0.047 0.000 1.352 925 H HN -0.010 nan 8.280 nan 0.000 0.605 926 S N 0.200 115.496 115.700 -0.674 0.000 2.811 926 S HA 0.063 4.533 4.470 0.001 0.000 0.237 926 S C 1.934 176.285 174.600 -0.414 0.000 1.038 926 S CA 0.025 57.813 58.200 -0.686 0.000 0.881 926 S CB -0.254 62.151 63.200 -1.326 0.000 0.815 926 S HN 0.299 nan 8.310 nan 0.000 0.582 927 I N 2.867 123.195 120.570 -0.403 0.000 2.450 927 I HA -0.228 3.943 4.170 0.001 0.000 0.260 927 I C 1.286 177.313 176.117 -0.150 0.000 1.145 927 I CA 1.172 62.333 61.300 -0.233 0.000 1.413 927 I CB -0.103 37.791 38.000 -0.176 0.000 1.090 927 I HN 0.303 nan 8.210 nan 0.000 0.445 928 N N 0.454 119.068 118.700 -0.144 0.000 2.362 928 N HA -0.046 4.694 4.740 0.001 0.000 0.204 928 N C 0.535 176.005 175.510 -0.066 0.000 1.166 928 N CA 0.724 53.725 53.050 -0.082 0.000 0.831 928 N CB 0.196 38.650 38.487 -0.056 0.000 1.008 928 N HN 0.674 nan 8.380 nan 0.000 0.472 929 E N -2.258 117.892 120.200 -0.082 0.000 2.512 929 E HA -0.013 4.337 4.350 0.001 0.000 0.281 929 E C 0.215 176.778 176.600 -0.061 0.000 1.098 929 E CA -0.297 56.069 56.400 -0.056 0.000 2.055 929 E CB 0.300 29.978 29.700 -0.037 0.000 2.653 929 E HN 0.133 nan 8.360 nan 0.000 1.080 930 N N 1.135 119.789 118.700 -0.078 0.000 3.710 930 N HA 0.225 4.966 4.740 0.001 0.000 0.336 930 N C -1.413 174.035 175.510 -0.104 0.000 1.321 930 N CA 0.345 53.355 53.050 -0.067 0.000 0.636 930 N CB 1.709 40.183 38.487 -0.021 0.000 3.379 930 N HN 0.518 nan 8.380 nan 0.000 0.492 931 C N 0.434 119.720 119.300 -0.023 0.000 2.686 931 C HA 0.841 5.302 4.460 0.001 0.000 0.318 931 C C -0.573 174.509 174.990 0.154 0.000 1.160 931 C CA -0.590 58.441 59.018 0.021 0.000 1.396 931 C CB 0.800 28.609 27.740 0.116 0.000 1.924 931 C HN 0.772 nan 8.230 nan 0.000 0.471 932 Q N 1.954 121.902 119.800 0.246 0.000 2.990 932 Q HA 0.874 5.214 4.340 0.001 0.000 0.255 932 Q C 0.583 176.867 176.000 0.473 0.000 1.040 932 Q CA -0.434 55.540 55.803 0.286 0.000 0.897 932 Q CB 0.561 29.451 28.738 0.254 0.000 1.429 932 Q HN 1.010 nan 8.270 nan 0.000 0.497 933 V N -5.478 114.626 119.914 0.317 0.000 3.218 933 V HA 0.152 4.273 4.120 0.001 0.000 0.212 933 V C -1.904 174.223 176.094 0.055 0.000 1.596 933 V CA 0.070 62.464 62.300 0.156 0.000 1.113 933 V CB -1.025 30.785 31.823 -0.021 0.000 1.081 933 V HN 0.496 nan 8.190 nan 0.000 0.483 934 P HA 0.010 nan 4.420 nan 0.000 0.215 934 P C 0.595 177.887 177.300 -0.012 0.000 1.157 934 P CA 1.217 64.314 63.100 -0.006 0.000 0.869 934 P CB -0.270 31.430 31.700 -0.001 0.000 0.781 935 E N 1.725 121.937 120.200 0.020 0.000 1.943 935 E HA -0.043 4.308 4.350 0.001 0.000 0.254 935 E C -0.131 176.492 176.600 0.037 0.000 1.239 935 E CA 0.365 56.772 56.400 0.012 0.000 1.027 935 E CB -0.720 28.997 29.700 0.028 0.000 1.087 935 E HN 0.197 nan 8.360 nan 0.000 0.437 936 E N 1.853 122.050 120.200 -0.005 0.000 2.450 936 E HA 0.018 4.368 4.350 0.001 0.000 0.097 936 E C -0.702 175.864 176.600 -0.057 0.000 0.772 936 E CA -0.095 56.329 56.400 0.040 0.000 1.437 936 E CB -0.245 29.584 29.700 0.216 0.000 1.093 936 E HN 0.413 nan 8.360 nan 0.000 0.449 937 D N 0.096 120.348 120.400 -0.246 0.000 2.045 937 D HA 0.352 4.992 4.640 0.001 0.000 0.280 937 D C 0.460 176.509 176.300 -0.418 0.000 1.117 937 D CA 0.752 54.340 54.000 -0.686 0.000 1.001 937 D CB 0.366 40.506 40.800 -1.100 0.000 1.159 937 D HN 0.020 nan 8.370 nan 0.000 0.477 938 F N 0.000 119.996 119.950 0.076 0.000 2.286 938 F HA 0.000 4.527 4.527 0.001 0.000 0.279 938 F CA 0.000 58.136 58.000 0.227 0.000 1.383 938 F CB 0.000 38.979 39.000 -0.036 0.000 1.145 938 F HN 0.000 nan 8.300 nan 0.000 0.574