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 1rre_1_B DATA FIRST_RESID 594 DATA SEQUENCE RVGQVTGLAW TEVGGDLLTI ETAcVPGKGK LTYTGSLGEV XQESIQAALT DATA SEQUENCE VVRARAEKLG INPDFYEKRD IHVHVPEGAT PKDGPAAGIA XCTALVScLT DATA SEQUENCE GNPVRADVAX TGEITLRGQV LPIGGLKEKL LAAHRGGIKT VLIPFENKRD DATA SEQUENCE LEEIPDNVIA DLDIHPVKRI EEVLTLALQN EP 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 594 R HA 0.000 nan 4.340 nan 0.000 0.208 594 R C 0.000 176.294 176.300 -0.011 0.000 0.893 594 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 594 R CB 0.000 nan 30.300 nan 0.000 0.687 595 V N 1.643 121.551 119.914 -0.010 0.000 2.470 595 V HA 0.552 4.672 4.120 0.001 0.000 0.276 595 V C 1.919 178.006 176.094 -0.010 0.000 1.040 595 V CA 1.185 63.478 62.300 -0.012 0.000 1.008 595 V CB 0.823 32.639 31.823 -0.011 0.000 0.990 595 V HN 1.502 nan 8.190 nan 0.000 0.477 596 G N 4.057 112.849 108.800 -0.012 0.000 2.189 596 G HA2 -0.304 3.656 3.960 0.001 0.000 0.267 596 G HA3 -0.304 3.656 3.960 0.001 0.000 0.267 596 G C 0.199 175.095 174.900 -0.006 0.000 0.975 596 G CA 0.593 45.688 45.100 -0.009 0.000 0.644 596 G HN 0.855 nan 8.290 nan 0.000 0.537 597 Q N -0.134 119.662 119.800 -0.008 0.000 2.325 597 Q HA 0.692 5.032 4.340 0.001 0.000 0.262 597 Q C -0.645 175.350 176.000 -0.009 0.000 0.968 597 Q CA -0.609 55.190 55.803 -0.007 0.000 0.877 597 Q CB 2.055 30.789 28.738 -0.007 0.000 1.253 597 Q HN 0.808 nan 8.270 nan 0.000 0.448 598 V N 3.306 123.214 119.914 -0.009 0.000 2.841 598 V HA 0.592 4.712 4.120 0.001 0.000 0.310 598 V C -1.130 174.958 176.094 -0.010 0.000 1.090 598 V CA -0.374 61.920 62.300 -0.010 0.000 0.930 598 V CB 2.715 34.532 31.823 -0.011 0.000 1.014 598 V HN 0.883 nan 8.190 nan 0.000 0.425 599 T N 5.693 120.242 114.554 -0.008 0.000 2.727 599 T HA 0.605 4.956 4.350 0.001 0.000 0.298 599 T C 0.277 174.975 174.700 -0.004 0.000 0.942 599 T CA 0.394 62.490 62.100 -0.007 0.000 0.997 599 T CB 0.743 69.608 68.868 -0.005 0.000 0.917 599 T HN 1.116 nan 8.240 nan 0.000 0.487 600 G N 2.455 111.253 108.800 -0.004 0.000 2.437 600 G HA2 0.661 4.621 3.960 0.001 0.000 0.319 600 G HA3 0.661 4.621 3.960 0.001 0.000 0.319 600 G C -0.859 174.045 174.900 0.006 0.000 1.158 600 G CA -0.825 44.276 45.100 0.002 0.000 0.899 600 G HN 0.691 nan 8.290 nan 0.000 0.502 601 L N 0.976 122.208 121.223 0.015 0.000 2.319 601 L HA 0.746 5.087 4.340 0.001 0.000 0.281 601 L C 0.267 177.160 176.870 0.038 0.000 1.005 601 L CA -0.547 54.306 54.840 0.021 0.000 0.828 601 L CB 1.388 43.461 42.059 0.024 0.000 1.227 601 L HN 0.728 nan 8.230 nan 0.000 0.415 602 A N 2.198 125.047 122.820 0.047 0.000 2.557 602 A HA 0.575 4.896 4.320 0.001 0.000 0.292 602 A C -2.365 175.296 177.584 0.129 0.000 1.139 602 A CA -0.615 51.478 52.037 0.095 0.000 0.665 602 A CB 0.862 19.911 19.000 0.081 0.000 1.285 602 A HN 0.673 nan 8.150 nan 0.000 0.433 603 W N 1.530 122.826 121.300 -0.007 0.000 2.272 603 W HA 0.538 5.198 4.660 0.001 0.000 0.318 603 W C 0.385 176.900 176.519 -0.007 0.000 1.255 603 W CA 1.110 58.451 57.345 -0.005 0.000 1.200 603 W CB 1.208 30.666 29.460 -0.004 0.000 1.170 603 W HN 0.995 nan 8.180 nan 0.000 0.549 604 T N 0.987 115.062 114.554 -0.798 0.000 2.916 604 T HA 0.210 4.561 4.350 0.001 0.000 0.292 604 T C 0.660 174.459 174.700 -1.502 0.000 1.064 604 T CA -0.411 61.183 62.100 -0.843 0.000 1.011 604 T CB 1.731 70.363 68.868 -0.394 0.000 1.152 604 T HN 0.699 nan 8.240 nan 0.000 0.510 605 E N 0.310 119.936 120.200 -0.957 0.000 2.268 605 E HA -0.081 4.270 4.350 0.001 0.000 0.195 605 E C 1.213 177.557 176.600 -0.426 0.000 0.995 605 E CA 0.831 56.821 56.400 -0.684 0.000 0.836 605 E CB -0.056 29.521 29.700 -0.206 0.000 0.763 605 E HN 0.401 nan 8.360 nan 0.000 0.491 606 V N -0.130 119.550 119.914 -0.389 0.000 2.599 606 V HA 0.213 4.333 4.120 0.001 0.000 0.245 606 V C 1.143 177.089 176.094 -0.247 0.000 1.046 606 V CA 1.313 63.470 62.300 -0.238 0.000 1.065 606 V CB 0.710 32.432 31.823 -0.167 0.000 0.703 606 V HN 0.535 nan 8.190 nan 0.000 0.464 607 G N -1.817 106.762 108.800 -0.369 0.000 2.604 607 G HA2 0.415 4.375 3.960 0.001 0.000 0.242 607 G HA3 0.415 4.375 3.960 0.001 0.000 0.242 607 G C 0.429 175.107 174.900 -0.370 0.000 1.208 607 G CA 0.259 45.183 45.100 -0.292 0.000 0.912 607 G HN 0.195 nan 8.290 nan 0.000 0.502 608 G N -0.354 108.365 108.800 -0.136 0.000 3.189 608 G HA2 0.398 4.359 3.960 0.001 0.000 0.225 608 G HA3 0.398 4.359 3.960 0.001 0.000 0.225 608 G C 0.200 175.070 174.900 -0.050 0.000 1.159 608 G CA 0.720 45.793 45.100 -0.045 0.000 0.763 608 G HN 0.624 nan 8.290 nan 0.000 0.549 609 D N -0.446 119.902 120.400 -0.086 0.000 2.088 609 D HA -0.057 4.584 4.640 0.001 0.000 0.084 609 D C 0.410 176.683 176.300 -0.045 0.000 0.930 609 D CA 1.130 55.085 54.000 -0.074 0.000 0.372 609 D CB 0.419 41.150 40.800 -0.115 0.000 0.803 609 D HN 0.288 nan 8.370 nan 0.000 0.299 610 L N -0.487 120.713 121.223 -0.037 0.000 2.334 610 L HA 0.718 5.059 4.340 0.001 0.000 0.270 610 L C -1.318 175.533 176.870 -0.031 0.000 1.018 610 L CA -0.776 54.050 54.840 -0.022 0.000 0.811 610 L CB 1.063 43.114 42.059 -0.013 0.000 1.271 610 L HN 0.309 nan 8.230 nan 0.000 0.443 611 L N 2.051 123.260 121.223 -0.023 0.000 2.349 611 L HA 0.540 4.880 4.340 0.001 0.000 0.278 611 L C 0.062 176.917 176.870 -0.026 0.000 0.996 611 L CA -0.089 54.733 54.840 -0.029 0.000 0.825 611 L CB 1.929 43.974 42.059 -0.023 0.000 1.243 611 L HN 0.852 nan 8.230 nan 0.000 0.412 612 T N 1.528 116.062 114.554 -0.032 0.000 2.997 612 T HA 0.550 4.900 4.350 0.001 0.000 0.311 612 T C 0.228 174.910 174.700 -0.030 0.000 1.079 612 T CA -0.326 61.759 62.100 -0.025 0.000 0.982 612 T CB -0.607 68.249 68.868 -0.021 0.000 1.032 612 T HN 0.284 nan 8.240 nan 0.000 0.581 613 I N 3.088 123.644 120.570 -0.023 0.000 2.441 613 I HA 0.277 4.448 4.170 0.001 0.000 0.287 613 I C 0.622 176.735 176.117 -0.007 0.000 1.049 613 I CA -0.266 61.022 61.300 -0.021 0.000 1.381 613 I CB 0.758 38.748 38.000 -0.016 0.000 1.409 613 I HN 0.603 nan 8.210 nan 0.000 0.523 614 E N 4.240 124.443 120.200 0.005 0.000 2.256 614 E HA 0.587 4.937 4.350 0.001 0.000 0.267 614 E C -0.926 175.685 176.600 0.017 0.000 0.892 614 E CA -0.822 55.586 56.400 0.012 0.000 0.775 614 E CB 2.411 32.127 29.700 0.026 0.000 1.207 614 E HN 0.628 nan 8.360 nan 0.000 0.420 615 T N -1.695 112.865 114.554 0.010 0.000 2.909 615 T HA 0.789 5.139 4.350 0.001 0.000 0.299 615 T C -0.927 173.785 174.700 0.019 0.000 1.073 615 T CA -0.966 61.152 62.100 0.029 0.000 0.999 615 T CB 1.771 70.662 68.868 0.039 0.000 1.098 615 T HN 0.488 nan 8.240 nan 0.000 0.477 616 A N 0.920 123.770 122.820 0.049 0.000 2.393 616 A HA 0.726 5.047 4.320 0.001 0.000 0.306 616 A C -0.562 177.076 177.584 0.089 0.000 1.050 616 A CA -0.912 51.157 52.037 0.054 0.000 0.724 616 A CB 0.987 20.015 19.000 0.046 0.000 1.248 616 A HN 1.182 nan 8.150 nan 0.000 0.424 617 c N 2.740 121.379 118.600 0.064 0.000 2.789 617 c HA 0.609 5.179 4.570 0.001 0.000 0.324 617 c C 0.078 174.202 174.090 0.056 0.000 1.042 617 c CA -0.828 55.544 56.329 0.072 0.000 1.396 617 c CB -0.671 41.870 42.510 0.052 0.000 1.870 617 c HN 0.893 nan 8.230 nan 0.000 0.470 618 V N -0.249 119.701 119.914 0.060 0.000 2.881 618 V HA 0.769 4.890 4.120 0.001 0.000 0.316 618 V C -2.832 173.288 176.094 0.043 0.000 1.070 618 V CA -2.829 59.497 62.300 0.043 0.000 0.976 618 V CB 1.113 32.958 31.823 0.038 0.000 1.038 618 V HN 0.427 nan 8.190 nan 0.000 0.446 619 P HA 0.467 nan 4.420 nan 0.000 0.264 619 P C 0.306 177.617 177.300 0.018 0.000 1.183 619 P CA 1.047 64.162 63.100 0.024 0.000 0.763 619 P CB 0.585 32.294 31.700 0.015 0.000 0.807 620 G N 1.939 110.746 108.800 0.012 0.000 2.450 620 G HA2 0.162 4.122 3.960 0.001 0.000 0.273 620 G HA3 0.162 4.122 3.960 0.001 0.000 0.273 620 G C -0.648 174.243 174.900 -0.014 0.000 1.221 620 G CA -0.623 44.477 45.100 0.001 0.000 0.900 620 G HN 0.283 nan 8.290 nan 0.000 0.483 621 K N 0.268 120.657 120.400 -0.019 0.000 2.397 621 K HA 0.380 4.700 4.320 0.001 0.000 0.202 621 K C 1.042 177.618 176.600 -0.039 0.000 1.022 621 K CA 0.404 56.670 56.287 -0.036 0.000 1.141 621 K CB 1.388 33.871 32.500 -0.029 0.000 0.857 621 K HN 1.643 nan 8.250 nan 0.000 0.514 622 G N 2.686 111.475 108.800 -0.018 0.000 2.165 622 G HA2 -0.275 3.685 3.960 0.001 0.000 0.226 622 G HA3 -0.275 3.685 3.960 0.001 0.000 0.226 622 G C -0.164 174.750 174.900 0.022 0.000 1.035 622 G CA -0.098 45.005 45.100 0.005 0.000 0.744 622 G HN 0.296 nan 8.290 nan 0.000 0.501 623 K N -0.099 120.306 120.400 0.008 0.000 2.295 623 K HA 0.576 4.896 4.320 0.001 0.000 0.270 623 K C 0.284 176.875 176.600 -0.014 0.000 1.011 623 K CA -0.314 55.961 56.287 -0.020 0.000 0.953 623 K CB 0.285 32.761 32.500 -0.041 0.000 0.956 623 K HN 0.055 nan 8.250 nan 0.000 0.477 624 L N 4.231 125.403 121.223 -0.084 0.000 2.376 624 L HA 0.381 4.721 4.340 0.001 0.000 0.275 624 L C -0.742 175.881 176.870 -0.412 0.000 0.987 624 L CA -0.438 54.308 54.840 -0.157 0.000 0.828 624 L CB 1.355 43.341 42.059 -0.120 0.000 1.249 624 L HN 0.944 nan 8.230 nan 0.000 0.409 625 T N 0.446 114.770 114.554 -0.383 0.000 2.881 625 T HA 0.700 5.050 4.350 0.001 0.000 0.290 625 T C -0.918 173.700 174.700 -0.136 0.000 1.000 625 T CA -0.615 61.228 62.100 -0.427 0.000 0.978 625 T CB 1.277 69.854 68.868 -0.487 0.000 0.997 625 T HN 0.314 nan 8.240 nan 0.000 0.443 626 Y N 1.701 122.041 120.300 0.067 0.000 2.346 626 Y HA 0.630 5.180 4.550 0.000 0.000 0.332 626 Y C 0.647 176.643 175.900 0.159 0.000 0.985 626 Y CA -1.190 56.999 58.100 0.148 0.000 1.112 626 Y CB 2.395 40.915 38.460 0.100 0.000 1.170 626 Y HN 0.980 nan 8.280 nan 0.000 0.447 627 T N -1.473 113.325 114.554 0.406 0.000 2.865 627 T HA 0.795 5.146 4.350 0.001 0.000 0.294 627 T C 0.356 175.177 174.700 0.203 0.000 1.119 627 T CA -0.655 61.650 62.100 0.342 0.000 1.007 627 T CB 1.846 71.011 68.868 0.495 0.000 1.225 627 T HN 1.139 nan 8.240 nan 0.000 0.515 628 G N -0.149 108.716 108.800 0.109 0.000 2.188 628 G HA2 0.149 4.110 3.960 0.001 0.000 0.112 628 G HA3 0.149 4.110 3.960 0.001 0.000 0.112 628 G C 0.212 175.105 174.900 -0.011 0.000 1.048 628 G CA -0.005 45.042 45.100 -0.089 0.000 0.720 628 G HN 1.647 nan 8.290 nan 0.000 0.487 629 S N -1.014 114.714 115.700 0.047 0.000 3.631 629 S HA -0.193 4.277 4.470 0.001 0.000 0.366 629 S C 0.740 175.376 174.600 0.061 0.000 0.993 629 S CA 1.142 59.373 58.200 0.052 0.000 1.167 629 S CB -1.335 61.886 63.200 0.036 0.000 0.909 629 S HN 0.975 nan 8.310 nan 0.000 0.478 630 L N 1.289 122.557 121.223 0.074 0.000 2.319 630 L HA 0.517 4.857 4.340 0.001 0.000 0.280 630 L C 1.331 178.255 176.870 0.090 0.000 1.099 630 L CA -0.329 54.560 54.840 0.083 0.000 0.828 630 L CB 0.401 42.514 42.059 0.090 0.000 1.150 630 L HN 0.401 nan 8.230 nan 0.000 0.442 631 G N 1.309 110.166 108.800 0.095 0.000 2.599 631 G HA2 0.075 4.035 3.960 0.001 0.000 0.264 631 G HA3 0.075 4.035 3.960 0.001 0.000 0.264 631 G C 0.597 175.534 174.900 0.063 0.000 1.200 631 G CA -0.344 44.804 45.100 0.081 0.000 0.896 631 G HN 0.848 nan 8.290 nan 0.000 0.536 632 E N -0.874 119.354 120.200 0.047 0.000 2.058 632 E HA -0.126 4.225 4.350 0.001 0.000 0.194 632 E C 1.473 178.091 176.600 0.029 0.000 0.997 632 E CA 0.515 56.939 56.400 0.040 0.000 0.801 632 E CB -0.026 29.690 29.700 0.026 0.000 0.746 632 E HN 0.231 nan 8.360 nan 0.000 0.450 636 E N 1.372 121.580 120.200 0.013 0.000 2.110 636 E HA -0.153 4.197 4.350 0.001 0.000 0.193 636 E C 1.868 178.456 176.600 -0.020 0.000 0.988 636 E CA 1.680 58.085 56.400 0.008 0.000 0.804 636 E CB 0.017 29.724 29.700 0.013 0.000 0.745 636 E HN 0.336 nan 8.360 nan 0.000 0.458 637 S N 0.853 116.534 115.700 -0.033 0.000 2.402 637 S HA -0.124 4.346 4.470 0.001 0.000 0.229 637 S C 2.041 176.595 174.600 -0.078 0.000 1.021 637 S CA 0.613 58.789 58.200 -0.040 0.000 0.974 637 S CB -0.415 62.768 63.200 -0.028 0.000 0.800 637 S HN 0.164 nan 8.310 nan 0.000 0.484 638 I N 1.703 122.182 120.570 -0.153 0.000 2.202 638 I HA -0.201 3.970 4.170 0.001 0.000 0.242 638 I C 3.043 179.042 176.117 -0.196 0.000 1.091 638 I CA 1.519 62.652 61.300 -0.278 0.000 1.368 638 I CB -0.462 37.134 38.000 -0.675 0.000 1.058 638 I HN 0.353 nan 8.210 nan 0.000 0.410 639 Q N 0.595 120.325 119.800 -0.116 0.000 2.084 639 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 639 Q C 2.478 178.484 176.000 0.011 0.000 0.978 639 Q CA 1.836 57.645 55.803 0.009 0.000 0.844 639 Q CB -0.339 28.436 28.738 0.061 0.000 0.898 639 Q HN 0.588 nan 8.270 nan 0.000 0.426 640 A N 1.097 123.913 122.820 -0.006 0.000 1.908 640 A HA -0.187 4.133 4.320 0.001 0.000 0.218 640 A C 2.297 179.883 177.584 0.005 0.000 1.181 640 A CA 1.752 53.789 52.037 0.001 0.000 0.627 640 A CB -0.902 18.095 19.000 -0.004 0.000 0.818 640 A HN 0.419 nan 8.150 nan 0.000 0.445 641 A N -0.732 122.081 122.820 -0.010 0.000 1.902 641 A HA -0.010 4.310 4.320 0.001 0.000 0.217 641 A C 2.138 179.736 177.584 0.025 0.000 1.181 641 A CA 1.742 53.776 52.037 -0.004 0.000 0.623 641 A CB -0.587 18.396 19.000 -0.028 0.000 0.818 641 A HN 0.676 nan 8.150 nan 0.000 0.443 642 L N -0.405 120.842 121.223 0.040 0.000 2.056 642 L HA -0.073 4.267 4.340 0.001 0.000 0.207 642 L C 2.426 179.374 176.870 0.130 0.000 1.078 642 L CA 2.720 57.628 54.840 0.112 0.000 0.749 642 L CB -1.102 41.045 42.059 0.146 0.000 0.901 642 L HN 0.345 nan 8.230 nan 0.000 0.433 643 T N -1.053 113.548 114.554 0.078 0.000 2.746 643 T HA -0.166 4.184 4.350 0.001 0.000 0.267 643 T C 1.996 176.731 174.700 0.057 0.000 1.039 643 T CA 1.612 63.745 62.100 0.056 0.000 1.142 643 T CB -0.332 68.552 68.868 0.027 0.000 0.866 643 T HN 0.194 nan 8.240 nan 0.000 0.444 644 V N 1.239 121.181 119.914 0.047 0.000 2.332 644 V HA -0.175 3.945 4.120 0.001 0.000 0.248 644 V C 2.626 178.756 176.094 0.059 0.000 1.055 644 V CA 1.461 63.785 62.300 0.040 0.000 1.038 644 V CB -0.692 31.147 31.823 0.025 0.000 0.651 644 V HN 0.329 nan 8.190 nan 0.000 0.450 645 V N -0.340 119.622 119.914 0.080 0.000 2.295 645 V HA -0.262 3.858 4.120 0.001 0.000 0.246 645 V C 2.569 178.776 176.094 0.189 0.000 1.049 645 V CA 2.109 64.466 62.300 0.096 0.000 1.024 645 V CB -0.781 31.079 31.823 0.062 0.000 0.648 645 V HN 0.465 nan 8.190 nan 0.000 0.447 646 R N 0.077 120.735 120.500 0.264 0.000 2.083 646 R HA -0.151 4.190 4.340 0.001 0.000 0.237 646 R C 2.447 178.828 176.300 0.134 0.000 1.137 646 R CA 1.551 57.808 56.100 0.262 0.000 0.951 646 R CB -0.653 29.709 30.300 0.102 0.000 0.851 646 R HN 0.539 nan 8.270 nan 0.000 0.434 647 A N 1.135 124.002 122.820 0.079 0.000 1.933 647 A HA -0.153 4.167 4.320 0.001 0.000 0.218 647 A C 1.783 179.398 177.584 0.051 0.000 1.175 647 A CA 1.258 53.322 52.037 0.045 0.000 0.628 647 A CB -0.215 18.802 19.000 0.027 0.000 0.814 647 A HN 0.235 nan 8.150 nan 0.000 0.444 648 R N -0.646 119.890 120.500 0.061 0.000 2.388 648 R HA 0.370 4.710 4.340 0.001 0.000 0.247 648 R C 1.825 178.163 176.300 0.064 0.000 0.931 648 R CA 0.397 56.527 56.100 0.050 0.000 1.082 648 R CB -0.057 30.264 30.300 0.034 0.000 1.135 648 R HN 0.461 nan 8.270 nan 0.000 0.525 649 A N 1.691 124.575 122.820 0.106 0.000 1.908 649 A HA -0.229 4.092 4.320 0.001 0.000 0.218 649 A C 1.789 179.423 177.584 0.083 0.000 1.181 649 A CA 1.400 53.514 52.037 0.128 0.000 0.627 649 A CB -0.148 19.007 19.000 0.259 0.000 0.818 649 A HN 0.343 nan 8.150 nan 0.000 0.445 650 E N -0.183 120.063 120.200 0.075 0.000 2.051 650 E HA -0.190 4.161 4.350 0.001 0.000 0.192 650 E C 1.738 178.359 176.600 0.035 0.000 0.991 650 E CA 1.277 57.710 56.400 0.054 0.000 0.799 650 E CB -0.123 29.606 29.700 0.048 0.000 0.748 650 E HN 0.378 nan 8.360 nan 0.000 0.449 651 K N 0.222 120.640 120.400 0.030 0.000 2.365 651 K HA -0.048 4.272 4.320 0.001 0.000 0.199 651 K C 1.465 178.073 176.600 0.012 0.000 1.045 651 K CA 0.501 56.799 56.287 0.019 0.000 0.962 651 K CB 0.100 32.609 32.500 0.016 0.000 0.759 651 K HN 0.097 nan 8.250 nan 0.000 0.469 652 L N -0.085 121.145 121.223 0.012 0.000 2.607 652 L HA 0.222 4.562 4.340 0.001 0.000 0.228 652 L C 0.884 177.748 176.870 -0.009 0.000 1.123 652 L CA 0.726 55.564 54.840 -0.003 0.000 0.890 652 L CB -0.594 41.457 42.059 -0.012 0.000 1.103 652 L HN 0.458 nan 8.230 nan 0.000 0.468 653 G N 0.295 109.097 108.800 0.003 0.000 2.137 653 G HA2 -0.262 3.698 3.960 0.001 0.000 0.237 653 G HA3 -0.262 3.698 3.960 0.001 0.000 0.237 653 G C 0.331 175.231 174.900 0.000 0.000 1.002 653 G CA 0.259 45.360 45.100 0.002 0.000 0.702 653 G HN 0.306 nan 8.290 nan 0.000 0.515 654 I N 0.158 120.733 120.570 0.008 0.000 2.460 654 I HA 0.245 4.416 4.170 0.001 0.000 0.298 654 I C 0.628 176.801 176.117 0.093 0.000 0.989 654 I CA -0.887 60.418 61.300 0.008 0.000 1.173 654 I CB 1.721 39.673 38.000 -0.079 0.000 1.338 654 I HN 0.213 nan 8.210 nan 0.000 0.456 655 N N 6.637 125.409 118.700 0.119 0.000 2.452 655 N HA 0.105 4.846 4.740 0.001 0.000 0.266 655 N C -1.833 173.852 175.510 0.293 0.000 1.175 655 N CA -1.240 51.904 53.050 0.157 0.000 0.945 655 N CB 1.127 39.688 38.487 0.123 0.000 1.063 655 N HN 0.305 nan 8.380 nan 0.000 0.472 656 P HA -0.153 nan 4.420 nan 0.000 0.221 656 P C 0.210 177.636 177.300 0.209 0.000 1.145 656 P CA 0.975 64.237 63.100 0.268 0.000 0.795 656 P CB 0.045 31.845 31.700 0.167 0.000 0.775 657 D N -0.686 119.789 120.400 0.125 0.000 2.363 657 D HA -0.168 4.473 4.640 0.001 0.000 0.226 657 D C 1.439 177.638 176.300 -0.169 0.000 1.020 657 D CA 0.057 54.017 54.000 -0.066 0.000 0.892 657 D CB -1.448 39.300 40.800 -0.087 0.000 0.900 657 D HN 0.259 nan 8.370 nan 0.000 0.531 658 F N 1.244 121.207 119.950 0.021 0.000 2.250 658 F HA -0.198 4.330 4.527 0.001 0.000 0.301 658 F C 1.961 177.776 175.800 0.024 0.000 1.077 658 F CA 0.565 58.575 58.000 0.017 0.000 1.348 658 F CB -1.381 37.653 39.000 0.057 0.000 1.040 658 F HN 0.109 nan 8.300 nan 0.000 0.509 659 Y N 0.394 120.179 120.300 -0.859 0.000 2.333 659 Y HA 0.018 4.568 4.550 0.000 0.000 0.290 659 Y C 1.974 177.752 175.900 -0.204 0.000 1.144 659 Y CA 1.568 59.314 58.100 -0.589 0.000 1.228 659 Y CB -1.067 37.040 38.460 -0.589 0.000 0.985 659 Y HN 0.317 nan 8.280 nan 0.000 0.542 660 E N -0.139 119.563 120.200 -0.829 0.000 2.460 660 E HA 0.072 4.423 4.350 0.001 0.000 0.200 660 E C 1.228 177.672 176.600 -0.261 0.000 1.011 660 E CA -0.032 56.024 56.400 -0.574 0.000 0.912 660 E CB 0.322 29.534 29.700 -0.813 0.000 0.953 660 E HN 0.480 nan 8.360 nan 0.000 0.494 661 K N 0.059 120.355 120.400 -0.174 0.000 2.373 661 K HA 0.192 4.513 4.320 0.001 0.000 0.200 661 K C 0.290 176.898 176.600 0.014 0.000 1.054 661 K CA -0.016 56.233 56.287 -0.062 0.000 1.065 661 K CB 1.135 33.610 32.500 -0.042 0.000 0.886 661 K HN -0.172 nan 8.250 nan 0.000 0.546 662 R N 1.567 122.106 120.500 0.065 0.000 2.599 662 R HA 0.258 4.598 4.340 0.001 0.000 0.295 662 R C -1.119 175.243 176.300 0.104 0.000 0.963 662 R CA -0.649 55.518 56.100 0.111 0.000 0.883 662 R CB 1.610 32.031 30.300 0.201 0.000 1.171 662 R HN -0.035 nan 8.270 nan 0.000 0.450 663 D N 2.662 123.109 120.400 0.079 0.000 2.225 663 D HA 0.374 5.014 4.640 0.001 0.000 0.248 663 D C 0.120 176.488 176.300 0.113 0.000 1.096 663 D CA -0.024 54.021 54.000 0.075 0.000 0.863 663 D CB 1.364 42.190 40.800 0.043 0.000 1.156 663 D HN 0.292 nan 8.370 nan 0.000 0.450 664 I N 2.295 122.949 120.570 0.139 0.000 2.406 664 I HA 0.134 4.305 4.170 0.001 0.000 0.290 664 I C -0.559 175.696 176.117 0.229 0.000 0.999 664 I CA -0.747 60.669 61.300 0.192 0.000 1.124 664 I CB 1.599 39.745 38.000 0.243 0.000 1.289 664 I HN 0.237 nan 8.210 nan 0.000 0.441 665 H N 6.522 125.666 119.070 0.122 0.000 2.708 665 H HA 0.458 5.015 4.556 0.001 0.000 0.320 665 H C -1.392 174.043 175.328 0.178 0.000 0.991 665 H CA -0.656 55.473 56.048 0.135 0.000 1.243 665 H CB 1.362 31.169 29.762 0.075 0.000 1.446 665 H HN 0.202 nan 8.280 nan 0.000 0.502 666 V N 6.265 126.494 119.914 0.524 0.000 2.432 666 V HA 0.212 4.332 4.120 0.001 0.000 0.275 666 V C -0.163 176.144 176.094 0.354 0.000 1.043 666 V CA -0.452 62.040 62.300 0.321 0.000 0.925 666 V CB 0.813 32.771 31.823 0.224 0.000 0.985 666 V HN 0.806 nan 8.190 nan 0.000 0.466 667 H N 3.149 122.238 119.070 0.033 0.000 2.759 667 H HA 0.679 5.236 4.556 0.000 0.000 0.354 667 H C -1.355 173.973 175.328 -0.000 0.000 1.074 667 H CA -0.544 55.505 56.048 0.002 0.000 1.226 667 H CB 2.084 31.738 29.762 -0.180 0.000 1.648 667 H HN 0.357 nan 8.280 nan 0.000 0.529 668 V N 7.349 126.948 119.914 -0.524 0.000 2.327 668 V HA 0.328 4.448 4.120 0.001 0.000 0.272 668 V C -2.385 173.436 176.094 -0.456 0.000 1.019 668 V CA -1.616 60.478 62.300 -0.344 0.000 0.814 668 V CB 0.650 32.380 31.823 -0.155 0.000 1.040 668 V HN 0.701 nan 8.190 nan 0.000 0.440 669 P HA 0.264 nan 4.420 nan 0.000 0.272 669 P C -0.282 176.959 177.300 -0.098 0.000 1.230 669 P CA -0.298 62.711 63.100 -0.152 0.000 0.788 669 P CB 0.877 32.581 31.700 0.007 0.000 0.949 670 E N -0.022 120.140 120.200 -0.063 0.000 2.338 670 E HA 0.278 4.629 4.350 0.001 0.000 0.272 670 E C 1.741 178.321 176.600 -0.034 0.000 1.029 670 E CA 0.248 56.630 56.400 -0.029 0.000 0.872 670 E CB -0.211 29.475 29.700 -0.023 0.000 1.015 670 E HN 0.528 nan 8.360 nan 0.000 0.417 671 G N 2.536 111.347 108.800 0.018 0.000 2.462 671 G HA2 -0.272 3.689 3.960 0.001 0.000 0.220 671 G HA3 -0.272 3.689 3.960 0.001 0.000 0.220 671 G C 1.153 176.072 174.900 0.033 0.000 1.121 671 G CA 0.892 46.021 45.100 0.049 0.000 0.758 671 G HN 0.550 nan 8.290 nan 0.000 0.559 672 A N -0.563 122.268 122.820 0.019 0.000 2.195 672 A HA 0.363 4.683 4.320 0.001 0.000 0.210 672 A C 1.263 178.846 177.584 -0.002 0.000 1.165 672 A CA 0.474 52.520 52.037 0.015 0.000 0.806 672 A CB 0.055 19.064 19.000 0.014 0.000 0.847 672 A HN 0.165 nan 8.150 nan 0.000 0.482 673 T N 3.620 118.161 114.554 -0.022 0.000 2.752 673 T HA 0.362 4.712 4.350 0.001 0.000 0.295 673 T C -2.700 171.977 174.700 -0.038 0.000 0.923 673 T CA -0.668 61.405 62.100 -0.046 0.000 1.112 673 T CB 0.748 69.574 68.868 -0.070 0.000 0.884 673 T HN 0.113 nan 8.240 nan 0.000 0.525 674 P HA 0.234 nan 4.420 nan 0.000 0.271 674 P C -0.479 176.826 177.300 0.008 0.000 1.220 674 P CA -0.249 62.865 63.100 0.024 0.000 0.768 674 P CB 0.529 32.270 31.700 0.069 0.000 0.848 675 K N 2.179 122.629 120.400 0.083 0.000 2.426 675 K HA 0.712 5.033 4.320 0.001 0.000 0.251 675 K C -1.004 175.744 176.600 0.247 0.000 0.941 675 K CA -0.729 55.633 56.287 0.126 0.000 0.808 675 K CB 2.407 34.934 32.500 0.046 0.000 1.265 675 K HN 0.348 nan 8.250 nan 0.000 0.432 676 D N -0.616 120.018 120.400 0.391 0.000 2.713 676 D HA 0.560 5.200 4.640 0.001 0.000 0.306 676 D C -0.833 175.583 176.300 0.193 0.000 1.299 676 D CA 0.811 54.962 54.000 0.253 0.000 0.823 676 D CB 1.972 42.895 40.800 0.204 0.000 1.353 676 D HN 0.680 nan 8.370 nan 0.000 0.447 677 G N 0.220 109.051 108.800 0.051 0.000 2.712 677 G HA2 -0.050 3.911 3.960 0.001 0.000 0.683 677 G HA3 -0.050 3.911 3.960 0.001 0.000 0.683 677 G C -2.268 172.646 174.900 0.024 0.000 1.320 677 G CA -0.140 44.964 45.100 0.006 0.000 0.847 677 G HN 0.455 nan 8.290 nan 0.000 0.553 678 P HA 0.301 nan 4.420 nan 0.000 0.261 678 P C 1.340 178.651 177.300 0.017 0.000 1.268 678 P CA 1.184 64.289 63.100 0.007 0.000 0.833 678 P CB 0.521 32.219 31.700 -0.003 0.000 1.231 679 A N 0.591 123.431 122.820 0.034 0.000 2.167 679 A HA 0.269 4.590 4.320 0.001 0.000 0.214 679 A C 2.081 179.683 177.584 0.031 0.000 1.151 679 A CA 1.029 53.087 52.037 0.037 0.000 0.735 679 A CB -0.840 18.193 19.000 0.055 0.000 0.802 679 A HN 0.217 nan 8.150 nan 0.000 0.467 680 A N -0.643 122.193 122.820 0.026 0.000 2.251 680 A HA 0.397 4.718 4.320 0.001 0.000 0.209 680 A C 1.999 179.582 177.584 -0.001 0.000 1.187 680 A CA 0.900 52.945 52.037 0.012 0.000 0.823 680 A CB -0.811 18.195 19.000 0.009 0.000 0.846 680 A HN 0.548 nan 8.150 nan 0.000 0.486 681 G N 1.645 110.445 108.800 -0.000 0.000 2.446 681 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 681 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 681 G C 1.496 176.392 174.900 -0.007 0.000 1.168 681 G CA 1.412 46.507 45.100 -0.009 0.000 0.771 681 G HN 0.840 nan 8.290 nan 0.000 0.551 682 I N -0.467 120.104 120.570 0.002 0.000 2.439 682 I HA 0.333 4.503 4.170 0.001 0.000 0.251 682 I C 1.919 178.035 176.117 -0.003 0.000 1.139 682 I CA 0.402 61.704 61.300 0.003 0.000 1.438 682 I CB -0.535 37.471 38.000 0.011 0.000 1.085 682 I HN 0.182 nan 8.210 nan 0.000 0.427 686 T N 1.391 115.935 114.554 -0.016 0.000 2.746 686 T HA -0.048 4.302 4.350 0.001 0.000 0.267 686 T C 1.936 176.622 174.700 -0.022 0.000 1.039 686 T CA 2.200 64.289 62.100 -0.019 0.000 1.142 686 T CB -0.508 68.351 68.868 -0.016 0.000 0.866 686 T HN 0.764 nan 8.240 nan 0.000 0.444 687 A N 1.161 123.970 122.820 -0.018 0.000 1.883 687 A HA -0.028 4.292 4.320 0.001 0.000 0.217 687 A C 2.318 179.891 177.584 -0.019 0.000 1.186 687 A CA 1.341 53.369 52.037 -0.015 0.000 0.624 687 A CB -0.899 18.096 19.000 -0.009 0.000 0.822 687 A HN 0.468 nan 8.150 nan 0.000 0.444 688 L N -0.639 120.571 121.223 -0.022 0.000 2.017 688 L HA -0.164 4.176 4.340 0.001 0.000 0.208 688 L C 2.566 179.389 176.870 -0.080 0.000 1.073 688 L CA 1.193 56.012 54.840 -0.035 0.000 0.745 688 L CB -0.609 41.437 42.059 -0.020 0.000 0.894 688 L HN 0.248 nan 8.230 nan 0.000 0.432 689 V N -0.843 119.026 119.914 -0.074 0.000 2.287 689 V HA -0.344 3.777 4.120 0.001 0.000 0.248 689 V C 2.727 178.777 176.094 -0.073 0.000 1.053 689 V CA 2.128 64.376 62.300 -0.087 0.000 1.027 689 V CB -0.585 31.204 31.823 -0.057 0.000 0.646 689 V HN 0.525 nan 8.190 nan 0.000 0.447 690 S N -1.242 114.428 115.700 -0.050 0.000 2.348 690 S HA -0.279 4.192 4.470 0.001 0.000 0.221 690 S C 2.135 176.711 174.600 -0.041 0.000 1.033 690 S CA 2.024 60.201 58.200 -0.039 0.000 1.010 690 S CB -0.738 62.446 63.200 -0.028 0.000 0.891 690 S HN 0.683 nan 8.310 nan 0.000 0.442 691 c N 1.067 119.644 118.600 -0.039 0.000 2.413 691 c HA 0.044 4.614 4.570 0.001 0.000 0.276 691 c C 2.470 176.528 174.090 -0.052 0.000 1.248 691 c CA 1.057 57.367 56.329 -0.033 0.000 1.742 691 c CB -1.672 40.828 42.510 -0.016 0.000 2.017 691 c HN 0.704 nan 8.230 nan 0.000 0.481 692 L N 0.473 121.638 121.223 -0.097 0.000 2.492 692 L HA 0.032 4.372 4.340 0.001 0.000 0.223 692 L C 2.233 179.042 176.870 -0.101 0.000 1.132 692 L CA 1.663 56.420 54.840 -0.138 0.000 0.850 692 L CB -0.273 41.602 42.059 -0.306 0.000 0.966 692 L HN 0.619 nan 8.230 nan 0.000 0.454 693 T N -5.740 108.769 114.554 -0.074 0.000 3.043 693 T HA 0.283 4.634 4.350 0.001 0.000 0.272 693 T C 1.342 176.023 174.700 -0.032 0.000 0.990 693 T CA 0.344 62.414 62.100 -0.050 0.000 0.897 693 T CB 0.918 69.756 68.868 -0.049 0.000 1.111 693 T HN 0.256 nan 8.240 nan 0.000 0.529 694 G N 1.998 110.780 108.800 -0.029 0.000 2.153 694 G HA2 -0.297 3.664 3.960 0.001 0.000 0.252 694 G HA3 -0.297 3.664 3.960 0.001 0.000 0.252 694 G C -0.119 174.770 174.900 -0.019 0.000 0.994 694 G CA 0.148 45.236 45.100 -0.020 0.000 0.698 694 G HN 0.772 nan 8.290 nan 0.000 0.521 695 N N 1.555 120.241 118.700 -0.023 0.000 2.462 695 N HA 0.454 5.194 4.740 0.001 0.000 0.242 695 N C -2.176 173.322 175.510 -0.020 0.000 1.010 695 N CA -1.771 51.267 53.050 -0.021 0.000 0.939 695 N CB 1.574 40.046 38.487 -0.024 0.000 1.127 695 N HN 0.103 nan 8.380 nan 0.000 0.509 696 P HA -0.029 nan 4.420 nan 0.000 0.271 696 P C 0.089 177.378 177.300 -0.017 0.000 1.218 696 P CA -0.286 62.805 63.100 -0.016 0.000 0.780 696 P CB 1.008 32.701 31.700 -0.013 0.000 0.901 697 V N 1.997 121.901 119.914 -0.017 0.000 3.003 697 V HA 0.331 4.451 4.120 0.001 0.000 0.305 697 V C 0.456 176.540 176.094 -0.017 0.000 1.078 697 V CA -0.593 61.697 62.300 -0.018 0.000 1.083 697 V CB 0.034 31.847 31.823 -0.017 0.000 1.039 697 V HN 0.376 nan 8.190 nan 0.000 0.481 698 R N 2.471 122.959 120.500 -0.020 0.000 2.441 698 R HA 0.640 4.980 4.340 0.001 0.000 0.284 698 R C 0.422 176.713 176.300 -0.015 0.000 1.070 698 R CA 0.116 56.205 56.100 -0.019 0.000 1.047 698 R CB 1.087 31.373 30.300 -0.024 0.000 1.016 698 R HN 1.109 nan 8.270 nan 0.000 0.477 699 A N 2.194 125.006 122.820 -0.013 0.000 2.520 699 A HA 0.018 4.339 4.320 0.001 0.000 0.235 699 A C 0.117 177.696 177.584 -0.010 0.000 1.065 699 A CA 0.108 52.139 52.037 -0.011 0.000 0.764 699 A CB 0.058 19.052 19.000 -0.010 0.000 1.002 699 A HN 0.955 nan 8.150 nan 0.000 0.502 700 D N -0.740 119.655 120.400 -0.008 0.000 3.012 700 D HA -0.141 4.500 4.640 0.001 0.000 0.222 700 D C -0.299 176.000 176.300 -0.001 0.000 1.167 700 D CA 1.325 55.322 54.000 -0.005 0.000 0.854 700 D CB -1.793 39.004 40.800 -0.005 0.000 1.107 700 D HN 0.317 nan 8.370 nan 0.000 0.421 701 V N -0.001 119.910 119.914 -0.005 0.000 2.472 701 V HA 0.766 4.886 4.120 0.001 0.000 0.290 701 V C 0.724 176.818 176.094 -0.000 0.000 1.037 701 V CA 0.098 62.396 62.300 -0.004 0.000 0.908 701 V CB 1.842 33.654 31.823 -0.018 0.000 0.985 701 V HN 0.336 nan 8.190 nan 0.000 0.454 705 G N 2.623 111.440 108.800 0.028 0.000 2.378 705 G HA2 0.402 4.362 3.960 0.001 0.000 0.302 705 G HA3 0.402 4.362 3.960 0.001 0.000 0.302 705 G C -1.497 173.417 174.900 0.022 0.000 1.669 705 G CA -0.560 44.558 45.100 0.029 0.000 0.920 705 G HN 0.820 nan 8.290 nan 0.000 0.697 706 E N 0.910 121.123 120.200 0.021 0.000 2.289 706 E HA 0.492 4.843 4.350 0.001 0.000 0.278 706 E C -0.494 176.114 176.600 0.013 0.000 1.032 706 E CA -0.691 55.718 56.400 0.014 0.000 0.854 706 E CB 1.161 30.868 29.700 0.011 0.000 1.046 706 E HN 0.399 nan 8.360 nan 0.000 0.409 707 I N 3.928 124.503 120.570 0.007 0.000 2.428 707 I HA 0.211 4.382 4.170 0.001 0.000 0.296 707 I C -0.165 175.954 176.117 0.005 0.000 0.985 707 I CA 0.017 61.321 61.300 0.006 0.000 1.260 707 I CB 1.546 39.547 38.000 0.003 0.000 1.389 707 I HN 0.650 nan 8.210 nan 0.000 0.484 708 T N 4.457 119.014 114.554 0.006 0.000 2.950 708 T HA 0.438 4.788 4.350 0.001 0.000 0.288 708 T C 1.197 175.900 174.700 0.005 0.000 1.035 708 T CA -0.792 61.310 62.100 0.004 0.000 1.028 708 T CB 1.043 69.914 68.868 0.004 0.000 1.109 708 T HN 0.492 nan 8.240 nan 0.000 0.514 709 L N 0.346 121.571 121.223 0.004 0.000 2.131 709 L HA -0.027 4.313 4.340 0.001 0.000 0.210 709 L C 2.955 179.828 176.870 0.005 0.000 1.092 709 L CA 1.372 56.215 54.840 0.005 0.000 0.759 709 L CB -0.594 41.467 42.059 0.003 0.000 0.903 709 L HN 0.767 nan 8.230 nan 0.000 0.435 710 R N 0.849 121.351 120.500 0.003 0.000 2.316 710 R HA 0.020 4.360 4.340 0.001 0.000 0.202 710 R C 1.324 177.626 176.300 0.002 0.000 1.029 710 R CA 0.879 56.980 56.100 0.001 0.000 1.018 710 R CB -0.233 30.066 30.300 -0.002 0.000 0.888 710 R HN 0.264 nan 8.270 nan 0.000 0.471 711 G N 0.837 109.640 108.800 0.004 0.000 2.141 711 G HA2 -0.356 3.604 3.960 0.001 0.000 0.242 711 G HA3 -0.356 3.604 3.960 0.001 0.000 0.242 711 G C -0.149 174.754 174.900 0.005 0.000 0.982 711 G CA 0.339 45.442 45.100 0.006 0.000 0.662 711 G HN 0.573 nan 8.290 nan 0.000 0.527 712 Q N 0.300 120.103 119.800 0.004 0.000 2.340 712 Q HA 0.570 4.911 4.340 0.001 0.000 0.249 712 Q C 0.119 176.128 176.000 0.015 0.000 0.957 712 Q CA -0.313 55.493 55.803 0.006 0.000 0.882 712 Q CB 1.404 30.142 28.738 0.001 0.000 1.235 712 Q HN 0.447 nan 8.270 nan 0.000 0.439 713 V N 5.601 125.531 119.914 0.026 0.000 2.370 713 V HA 0.386 4.507 4.120 0.001 0.000 0.283 713 V C -0.107 176.014 176.094 0.044 0.000 1.023 713 V CA -0.613 61.709 62.300 0.036 0.000 0.857 713 V CB 0.903 32.757 31.823 0.051 0.000 0.985 713 V HN 0.746 nan 8.190 nan 0.000 0.443 714 L N 7.028 128.272 121.223 0.035 0.000 2.352 714 L HA 0.585 4.926 4.340 0.001 0.000 0.269 714 L C -2.107 174.786 176.870 0.037 0.000 1.034 714 L CA -1.962 52.899 54.840 0.035 0.000 0.806 714 L CB 2.498 44.569 42.059 0.021 0.000 1.244 714 L HN 0.413 nan 8.230 nan 0.000 0.447 715 P HA 0.219 nan 4.420 nan 0.000 0.274 715 P C -1.090 176.224 177.300 0.022 0.000 1.237 715 P CA -0.182 62.938 63.100 0.033 0.000 0.793 715 P CB 1.008 32.728 31.700 0.033 0.000 0.977 716 I N -1.950 118.633 120.570 0.022 0.000 3.170 716 I HA 0.858 5.029 4.170 0.001 0.000 0.312 716 I C 0.243 176.371 176.117 0.018 0.000 1.085 716 I CA -1.337 59.975 61.300 0.020 0.000 0.999 716 I CB 0.833 38.850 38.000 0.029 0.000 1.233 716 I HN 0.385 nan 8.210 nan 0.000 0.467 717 G N -0.631 108.181 108.800 0.022 0.000 2.552 717 G HA2 0.521 4.482 3.960 0.001 0.000 0.324 717 G HA3 0.521 4.482 3.960 0.001 0.000 0.324 717 G C 0.369 175.296 174.900 0.045 0.000 1.217 717 G CA -0.772 44.342 45.100 0.024 0.000 0.989 717 G HN 1.719 nan 8.290 nan 0.000 0.490 718 G N -1.042 107.785 108.800 0.046 0.000 2.395 718 G HA2 -0.175 3.786 3.960 0.001 0.000 0.300 718 G HA3 -0.175 3.786 3.960 0.001 0.000 0.300 718 G C 1.013 175.939 174.900 0.043 0.000 0.998 718 G CA 0.734 45.867 45.100 0.056 0.000 1.046 718 G HN 1.050 nan 8.290 nan 0.000 0.513 719 L N 0.040 121.279 121.223 0.026 0.000 2.079 719 L HA 0.044 4.385 4.340 0.001 0.000 0.210 719 L C 2.653 179.528 176.870 0.010 0.000 1.081 719 L CA 3.102 57.952 54.840 0.016 0.000 0.752 719 L CB -0.349 41.712 42.059 0.003 0.000 0.896 719 L HN 0.499 nan 8.230 nan 0.000 0.433 720 K N -0.517 119.886 120.400 0.006 0.000 2.026 720 K HA -0.220 4.100 4.320 0.001 0.000 0.208 720 K C 1.922 178.522 176.600 -0.000 0.000 1.048 720 K CA 1.819 58.103 56.287 -0.005 0.000 0.929 720 K CB -0.098 32.398 32.500 -0.008 0.000 0.713 720 K HN 0.285 nan 8.250 nan 0.000 0.439 721 E N 0.656 120.863 120.200 0.013 0.000 2.110 721 E HA -0.150 4.200 4.350 0.001 0.000 0.193 721 E C 1.795 178.403 176.600 0.015 0.000 0.988 721 E CA 1.507 57.916 56.400 0.014 0.000 0.804 721 E CB 0.061 29.776 29.700 0.026 0.000 0.745 721 E HN 0.306 nan 8.360 nan 0.000 0.458 722 K N -0.166 120.248 120.400 0.022 0.000 2.057 722 K HA -0.103 4.218 4.320 0.001 0.000 0.206 722 K C 1.823 178.437 176.600 0.022 0.000 1.050 722 K CA 0.814 57.115 56.287 0.023 0.000 0.935 722 K CB -0.118 32.400 32.500 0.030 0.000 0.715 722 K HN 0.009 nan 8.250 nan 0.000 0.439 723 L N 1.022 122.255 121.223 0.017 0.000 2.093 723 L HA -0.140 4.201 4.340 0.001 0.000 0.208 723 L C 2.101 178.991 176.870 0.032 0.000 1.085 723 L CA 1.346 56.197 54.840 0.019 0.000 0.755 723 L CB -0.691 41.366 42.059 -0.002 0.000 0.904 723 L HN 0.217 nan 8.230 nan 0.000 0.435 724 L N -0.533 120.698 121.223 0.014 0.000 2.012 724 L HA -0.218 4.122 4.340 0.001 0.000 0.210 724 L C 2.580 179.492 176.870 0.069 0.000 1.073 724 L CA 2.196 57.054 54.840 0.030 0.000 0.748 724 L CB -1.302 40.760 42.059 0.004 0.000 0.891 724 L HN 0.327 nan 8.230 nan 0.000 0.431 725 A N -0.741 122.102 122.820 0.038 0.000 1.972 725 A HA -0.127 4.194 4.320 0.001 0.000 0.219 725 A C 2.467 180.073 177.584 0.037 0.000 1.169 725 A CA 1.683 53.736 52.037 0.027 0.000 0.635 725 A CB -0.555 18.448 19.000 0.006 0.000 0.810 725 A HN 0.478 nan 8.150 nan 0.000 0.446 726 A N -1.285 121.565 122.820 0.049 0.000 1.873 726 A HA -0.199 4.121 4.320 0.001 0.000 0.215 726 A C 2.140 179.770 177.584 0.077 0.000 1.186 726 A CA 1.650 53.718 52.037 0.052 0.000 0.616 726 A CB -0.999 18.033 19.000 0.053 0.000 0.823 726 A HN 0.736 nan 8.150 nan 0.000 0.442 727 H N -0.240 118.827 119.070 -0.004 0.000 2.290 727 H HA -0.150 4.406 4.556 0.001 0.000 0.298 727 H C 2.324 177.649 175.328 -0.006 0.000 1.087 727 H CA 2.005 58.050 56.048 -0.004 0.000 1.291 727 H CB -0.121 29.638 29.762 -0.005 0.000 1.369 727 H HN 0.503 nan 8.280 nan 0.000 0.492 728 R N 0.445 120.985 120.500 0.066 0.000 2.241 728 R HA -0.072 4.268 4.340 0.001 0.000 0.224 728 R C 1.807 178.090 176.300 -0.030 0.000 1.101 728 R CA 1.224 57.324 56.100 0.000 0.000 0.995 728 R CB -0.223 30.096 30.300 0.033 0.000 0.870 728 R HN 0.316 nan 8.270 nan 0.000 0.463 729 G N -1.031 107.757 108.800 -0.019 0.000 3.337 729 G HA2 0.201 4.161 3.960 0.001 0.000 0.246 729 G HA3 0.201 4.161 3.960 0.001 0.000 0.246 729 G C 0.678 175.557 174.900 -0.035 0.000 1.131 729 G CA 0.129 45.215 45.100 -0.023 0.000 0.773 729 G HN 0.460 nan 8.290 nan 0.000 0.544 730 G N 0.513 109.276 108.800 -0.062 0.000 2.225 730 G HA2 -0.272 3.688 3.960 0.001 0.000 0.267 730 G HA3 -0.272 3.688 3.960 0.001 0.000 0.267 730 G C 0.361 175.240 174.900 -0.035 0.000 1.024 730 G CA -0.005 45.056 45.100 -0.066 0.000 0.784 730 G HN 0.308 nan 8.290 nan 0.000 0.507 731 I N -0.145 120.415 120.570 -0.016 0.000 2.556 731 I HA 0.167 4.337 4.170 0.001 0.000 0.284 731 I C 1.360 177.484 176.117 0.012 0.000 1.114 731 I CA 0.476 61.778 61.300 0.004 0.000 1.418 731 I CB 1.219 39.230 38.000 0.018 0.000 1.394 731 I HN 0.174 nan 8.210 nan 0.000 0.552 732 K N 2.817 123.226 120.400 0.015 0.000 2.370 732 K HA 0.136 4.456 4.320 0.001 0.000 0.194 732 K C 0.027 176.654 176.600 0.045 0.000 1.070 732 K CA 0.465 56.767 56.287 0.025 0.000 0.998 732 K CB 0.550 33.059 32.500 0.016 0.000 0.911 732 K HN 0.552 nan 8.250 nan 0.000 0.533 733 T N 1.467 116.048 114.554 0.044 0.000 2.841 733 T HA 0.376 4.726 4.350 0.001 0.000 0.285 733 T C -1.016 173.721 174.700 0.062 0.000 0.991 733 T CA -0.553 61.589 62.100 0.069 0.000 0.966 733 T CB 2.264 71.156 68.868 0.041 0.000 0.962 733 T HN -0.270 nan 8.240 nan 0.000 0.438 734 V N 4.917 124.885 119.914 0.090 0.000 2.444 734 V HA 0.477 4.598 4.120 0.001 0.000 0.294 734 V C -0.286 175.863 176.094 0.092 0.000 1.022 734 V CA -0.979 61.362 62.300 0.069 0.000 0.850 734 V CB 1.555 33.410 31.823 0.053 0.000 0.992 734 V HN 0.740 nan 8.190 nan 0.000 0.426 735 L N 6.539 127.800 121.223 0.063 0.000 2.276 735 L HA 0.683 5.024 4.340 0.001 0.000 0.286 735 L C -0.160 176.744 176.870 0.056 0.000 1.061 735 L CA -0.225 54.658 54.840 0.070 0.000 0.807 735 L CB 0.929 43.011 42.059 0.038 0.000 1.177 735 L HN 0.696 nan 8.230 nan 0.000 0.429 736 I N 0.792 121.398 120.570 0.060 0.000 2.934 736 I HA 0.670 4.840 4.170 0.001 0.000 0.306 736 I C -2.742 173.406 176.117 0.052 0.000 1.110 736 I CA -2.900 58.425 61.300 0.040 0.000 1.019 736 I CB 2.490 40.500 38.000 0.016 0.000 1.227 736 I HN 0.234 nan 8.210 nan 0.000 0.434 737 P HA 0.083 nan 4.420 nan 0.000 0.266 737 P C 0.041 177.398 177.300 0.096 0.000 1.195 737 P CA 0.125 63.275 63.100 0.082 0.000 0.768 737 P CB 0.312 32.050 31.700 0.064 0.000 0.838 738 F N 2.637 122.597 119.950 0.015 0.000 2.161 738 F HA -0.204 4.324 4.527 0.001 0.000 0.300 738 F C 1.715 177.519 175.800 0.007 0.000 1.089 738 F CA 1.708 59.715 58.000 0.012 0.000 1.282 738 F CB -0.096 38.911 39.000 0.011 0.000 1.010 738 F HN 0.407 nan 8.300 nan 0.000 0.485 739 E N -0.432 119.885 120.200 0.195 0.000 2.516 739 E HA -0.110 4.241 4.350 0.001 0.000 0.199 739 E C 0.994 177.609 176.600 0.024 0.000 1.069 739 E CA 0.162 56.630 56.400 0.115 0.000 0.876 739 E CB -0.181 29.584 29.700 0.107 0.000 0.843 739 E HN 0.420 nan 8.360 nan 0.000 0.530 740 N N 0.399 119.091 118.700 -0.013 0.000 2.280 740 N HA -0.007 4.733 4.740 0.001 0.000 0.192 740 N C 1.120 176.579 175.510 -0.084 0.000 1.109 740 N CA 0.126 53.155 53.050 -0.035 0.000 0.855 740 N CB 0.371 38.849 38.487 -0.016 0.000 0.974 740 N HN 0.114 nan 8.380 nan 0.000 0.482 741 K N 1.896 122.197 120.400 -0.165 0.000 2.044 741 K HA -0.146 4.174 4.320 0.001 0.000 0.210 741 K C 2.003 178.521 176.600 -0.136 0.000 1.049 741 K CA 1.252 57.406 56.287 -0.222 0.000 0.927 741 K CB 0.136 32.376 32.500 -0.433 0.000 0.713 741 K HN 0.222 nan 8.250 nan 0.000 0.443 742 R N -0.018 120.421 120.500 -0.101 0.000 2.189 742 R HA -0.096 4.245 4.340 0.001 0.000 0.223 742 R C 0.992 177.265 176.300 -0.046 0.000 1.092 742 R CA 1.470 57.533 56.100 -0.062 0.000 0.989 742 R CB -0.371 29.907 30.300 -0.037 0.000 0.876 742 R HN 0.159 nan 8.270 nan 0.000 0.457 743 D N 1.690 122.064 120.400 -0.043 0.000 2.218 743 D HA -0.069 4.571 4.640 0.001 0.000 0.204 743 D C 2.014 178.291 176.300 -0.037 0.000 0.976 743 D CA 0.783 54.764 54.000 -0.032 0.000 0.853 743 D CB -0.115 40.671 40.800 -0.024 0.000 0.939 743 D HN 0.254 nan 8.370 nan 0.000 0.481 744 L N 0.494 121.687 121.223 -0.051 0.000 2.265 744 L HA -0.172 4.168 4.340 0.001 0.000 0.215 744 L C 2.273 179.116 176.870 -0.045 0.000 1.117 744 L CA 0.740 55.549 54.840 -0.051 0.000 0.782 744 L CB -0.181 41.838 42.059 -0.066 0.000 0.914 744 L HN -0.093 nan 8.230 nan 0.000 0.441 745 E N 0.666 120.841 120.200 -0.042 0.000 2.051 745 E HA -0.226 4.125 4.350 0.001 0.000 0.192 745 E C 1.897 178.480 176.600 -0.029 0.000 0.991 745 E CA 1.407 57.786 56.400 -0.035 0.000 0.799 745 E CB -0.013 29.669 29.700 -0.030 0.000 0.748 745 E HN 0.508 nan 8.360 nan 0.000 0.449 746 E N 0.109 120.293 120.200 -0.026 0.000 2.494 746 E HA -0.018 4.332 4.350 0.001 0.000 0.193 746 E C 0.141 176.726 176.600 -0.025 0.000 1.074 746 E CA 0.095 56.481 56.400 -0.022 0.000 0.867 746 E CB -0.047 29.643 29.700 -0.017 0.000 0.924 746 E HN 0.292 nan 8.360 nan 0.000 0.502 747 I N 3.264 123.815 120.570 -0.031 0.000 2.440 747 I HA 0.208 4.378 4.170 0.001 0.000 0.294 747 I C -1.909 174.182 176.117 -0.043 0.000 0.995 747 I CA -2.501 58.776 61.300 -0.038 0.000 1.306 747 I CB 1.066 39.041 38.000 -0.041 0.000 1.407 747 I HN -0.101 nan 8.210 nan 0.000 0.501 748 P HA 0.114 nan 4.420 nan 0.000 0.275 748 P C -0.283 176.983 177.300 -0.058 0.000 1.266 748 P CA -0.215 62.855 63.100 -0.050 0.000 0.793 748 P CB 0.840 32.509 31.700 -0.053 0.000 1.074 749 D N 0.150 120.521 120.400 -0.048 0.000 2.117 749 D HA -0.133 4.508 4.640 0.001 0.000 0.198 749 D C 1.397 177.667 176.300 -0.050 0.000 0.982 749 D CA 1.528 55.503 54.000 -0.042 0.000 0.828 749 D CB -0.602 40.181 40.800 -0.028 0.000 0.967 749 D HN 0.510 nan 8.370 nan 0.000 0.464 750 N N 0.500 119.162 118.700 -0.063 0.000 2.416 750 N HA -0.109 4.631 4.740 0.001 0.000 0.177 750 N C 1.493 176.888 175.510 -0.191 0.000 1.036 750 N CA 0.656 53.663 53.050 -0.071 0.000 0.901 750 N CB -0.559 37.903 38.487 -0.042 0.000 0.976 750 N HN 0.205 nan 8.380 nan 0.000 0.444 751 V N -2.979 116.781 119.914 -0.257 0.000 3.415 751 V HA 0.439 4.560 4.120 0.001 0.000 0.325 751 V C 0.935 176.878 176.094 -0.252 0.000 1.313 751 V CA 0.225 62.251 62.300 -0.455 0.000 1.228 751 V CB -1.064 30.565 31.823 -0.323 0.000 1.131 751 V HN 0.239 nan 8.190 nan 0.000 0.433 752 I N -0.992 119.500 120.570 -0.131 0.000 5.183 752 I HA 0.363 4.533 4.170 0.001 0.000 0.343 752 I C 2.309 178.423 176.117 -0.004 0.000 1.230 752 I CA 0.827 62.098 61.300 -0.047 0.000 1.473 752 I CB 0.284 38.253 38.000 -0.051 0.000 1.569 752 I HN 0.168 nan 8.210 nan 0.000 0.544 753 A N -0.037 122.781 122.820 -0.002 0.000 2.019 753 A HA -0.168 4.152 4.320 0.001 0.000 0.219 753 A C 1.337 178.944 177.584 0.039 0.000 1.164 753 A CA 1.784 53.829 52.037 0.013 0.000 0.644 753 A CB -0.292 18.715 19.000 0.012 0.000 0.805 753 A HN 0.364 nan 8.150 nan 0.000 0.449 754 D N -0.680 119.769 120.400 0.081 0.000 2.388 754 D HA 0.275 4.916 4.640 0.001 0.000 0.221 754 D C -0.403 175.946 176.300 0.082 0.000 1.133 754 D CA 0.189 54.238 54.000 0.082 0.000 0.831 754 D CB 0.305 41.162 40.800 0.096 0.000 0.962 754 D HN 0.311 nan 8.370 nan 0.000 0.502 755 L N 0.946 122.213 121.223 0.073 0.000 2.333 755 L HA 0.261 4.602 4.340 0.001 0.000 0.280 755 L C -0.154 176.739 176.870 0.039 0.000 1.004 755 L CA -0.851 54.026 54.840 0.063 0.000 0.820 755 L CB 2.197 44.295 42.059 0.065 0.000 1.247 755 L HN -0.287 nan 8.230 nan 0.000 0.416 756 D N 4.585 125.018 120.400 0.055 0.000 2.422 756 D HA 0.227 4.867 4.640 0.001 0.000 0.227 756 D C -0.304 176.052 176.300 0.093 0.000 1.190 756 D CA -0.243 53.793 54.000 0.060 0.000 0.905 756 D CB 0.427 41.299 40.800 0.120 0.000 1.034 756 D HN 0.124 nan 8.370 nan 0.000 0.507 757 I N 3.820 124.384 120.570 -0.010 0.000 2.325 757 I HA 0.162 4.333 4.170 0.001 0.000 0.291 757 I C -0.139 175.907 176.117 -0.119 0.000 1.019 757 I CA -0.535 60.763 61.300 -0.004 0.000 1.302 757 I CB 0.748 38.725 38.000 -0.037 0.000 1.401 757 I HN 0.340 nan 8.210 nan 0.000 0.485 758 H N 6.445 125.512 119.070 -0.004 0.000 2.673 758 H HA 0.355 4.911 4.556 0.001 0.000 0.293 758 H C -2.365 172.969 175.328 0.009 0.000 1.065 758 H CA -1.709 54.343 56.048 0.007 0.000 1.236 758 H CB 0.975 30.749 29.762 0.019 0.000 1.389 758 H HN 0.329 nan 8.280 nan 0.000 0.481 759 P HA 0.010 nan 4.420 nan 0.000 0.271 759 P C -0.684 176.736 177.300 0.199 0.000 1.226 759 P CA -0.237 62.882 63.100 0.032 0.000 0.765 759 P CB 0.813 32.381 31.700 -0.219 0.000 0.835 760 V N 1.020 121.058 119.914 0.207 0.000 2.823 760 V HA 0.482 4.602 4.120 0.001 0.000 0.312 760 V C 0.630 176.844 176.094 0.200 0.000 1.072 760 V CA -0.597 61.822 62.300 0.200 0.000 0.937 760 V CB 2.624 34.519 31.823 0.120 0.000 1.013 760 V HN 0.313 nan 8.190 nan 0.000 0.430 761 K N 1.443 121.919 120.400 0.127 0.000 2.244 761 K HA 0.389 4.710 4.320 0.001 0.000 0.200 761 K C 0.415 177.030 176.600 0.026 0.000 1.052 761 K CA 0.312 56.627 56.287 0.046 0.000 0.980 761 K CB 0.379 32.829 32.500 -0.082 0.000 0.838 761 K HN 0.657 nan 8.250 nan 0.000 0.481 762 R N 0.065 120.580 120.500 0.024 0.000 2.837 762 R HA 0.218 4.558 4.340 0.001 0.000 0.271 762 R C 0.565 176.875 176.300 0.017 0.000 0.993 762 R CA -0.478 55.630 56.100 0.013 0.000 0.931 762 R CB 1.245 31.545 30.300 -0.001 0.000 1.206 762 R HN -0.090 nan 8.270 nan 0.000 0.474 763 I N 2.134 122.711 120.570 0.012 0.000 2.361 763 I HA -0.222 3.948 4.170 0.001 0.000 0.251 763 I C 1.382 177.503 176.117 0.006 0.000 1.133 763 I CA 1.839 63.145 61.300 0.009 0.000 1.413 763 I CB -0.008 37.996 38.000 0.007 0.000 1.073 763 I HN 0.625 nan 8.210 nan 0.000 0.424 764 E N 0.601 120.804 120.200 0.005 0.000 2.058 764 E HA -0.255 4.095 4.350 0.001 0.000 0.194 764 E C 2.102 178.703 176.600 0.002 0.000 0.997 764 E CA 1.890 58.291 56.400 0.002 0.000 0.801 764 E CB -0.351 29.350 29.700 0.002 0.000 0.746 764 E HN 0.593 nan 8.360 nan 0.000 0.450 765 E N 0.191 120.397 120.200 0.009 0.000 2.110 765 E HA -0.149 4.201 4.350 0.001 0.000 0.193 765 E C 2.117 178.717 176.600 0.001 0.000 0.988 765 E CA 1.163 57.570 56.400 0.012 0.000 0.804 765 E CB -0.030 29.690 29.700 0.034 0.000 0.745 765 E HN 0.074 nan 8.360 nan 0.000 0.458 766 V N 1.461 121.378 119.914 0.005 0.000 2.295 766 V HA -0.255 3.865 4.120 0.001 0.000 0.246 766 V C 2.277 178.361 176.094 -0.017 0.000 1.049 766 V CA 1.513 63.811 62.300 -0.004 0.000 1.024 766 V CB -0.422 31.404 31.823 0.005 0.000 0.648 766 V HN 0.267 nan 8.190 nan 0.000 0.447 767 L N -0.448 120.767 121.223 -0.013 0.000 2.093 767 L HA -0.133 4.207 4.340 0.001 0.000 0.208 767 L C 2.605 179.461 176.870 -0.024 0.000 1.085 767 L CA 1.701 56.531 54.840 -0.018 0.000 0.755 767 L CB -0.939 41.111 42.059 -0.015 0.000 0.904 767 L HN 0.341 nan 8.230 nan 0.000 0.435 768 T N 0.056 114.596 114.554 -0.022 0.000 2.788 768 T HA -0.118 4.232 4.350 0.001 0.000 0.268 768 T C 1.789 176.463 174.700 -0.043 0.000 1.044 768 T CA 0.951 63.035 62.100 -0.026 0.000 1.139 768 T CB -0.022 68.835 68.868 -0.018 0.000 0.867 768 T HN 0.024 nan 8.240 nan 0.000 0.454 769 L N 0.362 121.548 121.223 -0.061 0.000 2.270 769 L HA 0.364 4.704 4.340 0.001 0.000 0.210 769 L C 2.426 179.243 176.870 -0.087 0.000 1.104 769 L CA 0.860 55.636 54.840 -0.106 0.000 0.804 769 L CB -1.123 40.838 42.059 -0.164 0.000 0.937 769 L HN 0.234 nan 8.230 nan 0.000 0.450 770 A N -1.790 120.996 122.820 -0.057 0.000 2.085 770 A HA 0.246 4.567 4.320 0.001 0.000 0.208 770 A C 1.094 178.658 177.584 -0.035 0.000 1.191 770 A CA 0.043 52.054 52.037 -0.044 0.000 0.799 770 A CB 0.132 19.112 19.000 -0.032 0.000 0.877 770 A HN 0.193 nan 8.150 nan 0.000 0.473 771 L N -0.542 120.662 121.223 -0.032 0.000 2.375 771 L HA 0.279 4.619 4.340 0.001 0.000 0.268 771 L C 1.302 178.157 176.870 -0.025 0.000 1.058 771 L CA -0.585 54.239 54.840 -0.026 0.000 0.803 771 L CB 1.018 43.062 42.059 -0.025 0.000 1.212 771 L HN 0.285 nan 8.230 nan 0.000 0.451 772 Q N 0.568 120.355 119.800 -0.021 0.000 2.163 772 Q HA 0.029 4.369 4.340 0.001 0.000 0.198 772 Q C -0.273 175.717 176.000 -0.016 0.000 0.954 772 Q CA 0.941 56.733 55.803 -0.018 0.000 0.851 772 Q CB 0.292 29.021 28.738 -0.015 0.000 0.928 772 Q HN 0.626 nan 8.270 nan 0.000 0.459 773 N N 1.049 119.740 118.700 -0.016 0.000 2.361 773 N HA 0.148 4.888 4.740 0.001 0.000 0.302 773 N C -1.472 174.030 175.510 -0.014 0.000 1.074 773 N CA -0.460 52.582 53.050 -0.013 0.000 0.850 773 N CB 1.215 39.695 38.487 -0.012 0.000 1.228 773 N HN -0.093 nan 8.380 nan 0.000 0.491 774 E N 2.046 122.239 120.200 -0.012 0.000 2.729 774 E HA 0.007 4.357 4.350 0.001 0.000 0.246 774 E C -1.789 174.804 176.600 -0.011 0.000 0.984 774 E CA -0.631 55.763 56.400 -0.011 0.000 0.951 774 E CB -0.451 29.244 29.700 -0.007 0.000 0.914 774 E HN 0.395 nan 8.360 nan 0.000 0.509 775 P HA 0.000 nan 4.420 nan 0.000 0.216 775 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 775 P CB 0.000 31.691 31.700 -0.016 0.000 0.726