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_A 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 0.000 176.305 176.300 0.009 0.000 0.893 594 R CA 0.000 56.106 56.100 0.010 0.000 0.921 594 R CB 0.000 nan 30.300 nan 0.000 0.687 595 V N 0.270 120.192 119.914 0.012 0.000 3.148 595 V HA 0.099 4.221 4.120 0.003 0.000 0.443 595 V C 0.381 176.480 176.094 0.009 0.000 0.681 595 V CA -0.432 61.874 62.300 0.011 0.000 1.967 595 V CB -1.662 30.165 31.823 0.006 0.000 2.445 595 V HN 1.791 nan 8.190 nan 0.000 0.490 596 G N 3.015 111.823 108.800 0.013 0.000 2.403 596 G HA2 0.534 4.496 3.960 0.003 0.000 0.259 596 G HA3 0.534 4.496 3.960 0.003 0.000 0.259 596 G C -0.411 174.493 174.900 0.007 0.000 1.244 596 G CA 0.217 45.323 45.100 0.010 0.000 0.849 596 G HN 1.258 nan 8.290 nan 0.000 0.532 597 Q N 0.952 120.753 119.800 0.002 0.000 2.296 597 Q HA 0.513 4.855 4.340 0.003 0.000 0.254 597 Q C -1.537 174.460 176.000 -0.005 0.000 0.936 597 Q CA -0.465 55.338 55.803 -0.001 0.000 0.834 597 Q CB 2.106 30.842 28.738 -0.003 0.000 1.340 597 Q HN 0.463 nan 8.270 nan 0.000 0.428 598 V N 2.357 122.267 119.914 -0.006 0.000 2.925 598 V HA 0.576 4.698 4.120 0.003 0.000 0.311 598 V C -0.470 175.617 176.094 -0.012 0.000 1.104 598 V CA -0.781 61.514 62.300 -0.008 0.000 0.954 598 V CB 2.485 34.305 31.823 -0.005 0.000 1.022 598 V HN 0.816 nan 8.190 nan 0.000 0.427 599 T N 3.259 117.805 114.554 -0.013 0.000 2.727 599 T HA 0.572 4.924 4.350 0.003 0.000 0.298 599 T C 0.409 175.102 174.700 -0.012 0.000 0.942 599 T CA -0.039 62.052 62.100 -0.015 0.000 0.997 599 T CB 0.961 69.819 68.868 -0.017 0.000 0.917 599 T HN 0.987 nan 8.240 nan 0.000 0.487 600 G N 2.265 111.059 108.800 -0.011 0.000 2.509 600 G HA2 0.710 4.672 3.960 0.003 0.000 0.328 600 G HA3 0.710 4.672 3.960 0.003 0.000 0.328 600 G C -1.050 173.848 174.900 -0.003 0.000 1.194 600 G CA -0.878 44.220 45.100 -0.004 0.000 0.967 600 G HN 0.672 nan 8.290 nan 0.000 0.488 601 L N 0.708 121.935 121.223 0.007 0.000 2.343 601 L HA 0.746 5.088 4.340 0.003 0.000 0.278 601 L C 0.228 177.116 176.870 0.029 0.000 0.996 601 L CA -0.552 54.295 54.840 0.011 0.000 0.831 601 L CB 1.514 43.581 42.059 0.014 0.000 1.232 601 L HN 0.747 nan 8.230 nan 0.000 0.413 602 A N 2.162 125.003 122.820 0.035 0.000 2.581 602 A HA 0.547 4.869 4.320 0.003 0.000 0.290 602 A C -2.306 175.347 177.584 0.114 0.000 1.119 602 A CA -0.614 51.472 52.037 0.082 0.000 0.670 602 A CB 0.823 19.867 19.000 0.073 0.000 1.280 602 A HN 0.670 nan 8.150 nan 0.000 0.425 603 W N 1.727 123.020 121.300 -0.012 0.000 2.266 603 W HA 0.500 5.162 4.660 0.003 0.000 0.317 603 W C 0.548 177.061 176.519 -0.010 0.000 1.310 603 W CA 1.338 58.678 57.345 -0.009 0.000 1.207 603 W CB 0.990 30.445 29.460 -0.008 0.000 1.199 603 W HN 0.983 nan 8.180 nan 0.000 0.544 604 T N 0.982 115.017 114.554 -0.865 0.000 2.910 604 T HA 0.231 4.583 4.350 0.003 0.000 0.287 604 T C 0.806 174.490 174.700 -1.694 0.000 1.050 604 T CA -0.460 61.083 62.100 -0.929 0.000 1.011 604 T CB 1.626 70.222 68.868 -0.453 0.000 1.195 604 T HN 0.667 nan 8.240 nan 0.000 0.540 605 E N -0.284 119.294 120.200 -1.036 0.000 2.147 605 E HA -0.185 4.167 4.350 0.003 0.000 0.199 605 E C 1.631 177.936 176.600 -0.492 0.000 1.005 605 E CA 2.046 58.030 56.400 -0.693 0.000 0.810 605 E CB -0.240 29.309 29.700 -0.252 0.000 0.736 605 E HN 0.608 nan 8.360 nan 0.000 0.460 606 V N -2.618 117.045 119.914 -0.419 0.000 3.577 606 V HA 0.483 4.605 4.120 0.003 0.000 0.294 606 V C 0.526 176.473 176.094 -0.246 0.000 1.317 606 V CA 0.279 62.431 62.300 -0.247 0.000 1.169 606 V CB -0.428 31.299 31.823 -0.160 0.000 1.011 606 V HN 0.381 nan 8.190 nan 0.000 0.426 607 G N -0.787 107.755 108.800 -0.430 0.000 2.408 607 G HA2 0.309 4.271 3.960 0.003 0.000 0.682 607 G HA3 0.309 4.271 3.960 0.003 0.000 0.682 607 G C 0.023 174.747 174.900 -0.294 0.000 1.303 607 G CA -0.390 44.539 45.100 -0.285 0.000 0.966 607 G HN 1.307 nan 8.290 nan 0.000 0.560 608 G N -0.300 108.458 108.800 -0.071 0.000 2.432 608 G HA2 0.511 4.473 3.960 0.003 0.000 0.239 608 G HA3 0.511 4.473 3.960 0.003 0.000 0.239 608 G C -0.307 174.558 174.900 -0.059 0.000 1.291 608 G CA 1.402 46.490 45.100 -0.020 0.000 0.863 608 G HN 0.949 nan 8.290 nan 0.000 0.560 609 D N 0.094 120.459 120.400 -0.058 0.000 2.639 609 D HA 0.276 4.918 4.640 0.003 0.000 0.271 609 D C -0.883 175.392 176.300 -0.040 0.000 1.254 609 D CA -0.780 53.184 54.000 -0.060 0.000 0.810 609 D CB 1.247 41.987 40.800 -0.099 0.000 1.351 609 D HN 0.171 nan 8.370 nan 0.000 0.427 610 L N 1.402 122.603 121.223 -0.037 0.000 2.455 610 L HA 0.339 4.681 4.340 0.003 0.000 0.272 610 L C -0.707 176.139 176.870 -0.040 0.000 1.174 610 L CA 0.141 54.963 54.840 -0.031 0.000 0.869 610 L CB 0.066 42.107 42.059 -0.030 0.000 1.130 610 L HN 0.299 nan 8.230 nan 0.000 0.474 611 L N 2.938 124.140 121.223 -0.034 0.000 2.386 611 L HA 0.478 4.820 4.340 0.003 0.000 0.271 611 L C -0.019 176.829 176.870 -0.037 0.000 0.993 611 L CA -0.529 54.286 54.840 -0.042 0.000 0.819 611 L CB 2.034 44.069 42.059 -0.039 0.000 1.294 611 L HN 0.675 nan 8.230 nan 0.000 0.414 612 T N 1.387 115.914 114.554 -0.045 0.000 2.727 612 T HA 0.638 4.990 4.350 0.003 0.000 0.298 612 T C 0.233 174.905 174.700 -0.047 0.000 0.942 612 T CA -0.300 61.777 62.100 -0.038 0.000 0.997 612 T CB -0.015 68.831 68.868 -0.035 0.000 0.917 612 T HN 0.298 nan 8.240 nan 0.000 0.487 613 I N 3.143 123.695 120.570 -0.031 0.000 2.342 613 I HA 0.288 4.460 4.170 0.003 0.000 0.291 613 I C 0.587 176.697 176.117 -0.012 0.000 1.010 613 I CA -0.445 60.840 61.300 -0.026 0.000 1.308 613 I CB 0.992 38.985 38.000 -0.012 0.000 1.400 613 I HN 0.611 nan 8.210 nan 0.000 0.488 614 E N 4.590 124.785 120.200 -0.008 0.000 2.195 614 E HA 0.567 4.919 4.350 0.003 0.000 0.271 614 E C -0.817 175.794 176.600 0.019 0.000 0.923 614 E CA -0.716 55.688 56.400 0.007 0.000 0.790 614 E CB 2.271 31.983 29.700 0.020 0.000 1.155 614 E HN 0.620 nan 8.360 nan 0.000 0.402 615 T N -1.422 113.144 114.554 0.021 0.000 2.933 615 T HA 0.756 5.108 4.350 0.003 0.000 0.305 615 T C -0.833 173.889 174.700 0.038 0.000 1.092 615 T CA -0.944 61.182 62.100 0.044 0.000 1.008 615 T CB 1.743 70.647 68.868 0.061 0.000 1.102 615 T HN 0.450 nan 8.240 nan 0.000 0.469 616 A N 1.074 123.931 122.820 0.062 0.000 2.386 616 A HA 0.769 5.091 4.320 0.003 0.000 0.311 616 A C 0.098 177.744 177.584 0.104 0.000 1.068 616 A CA -0.908 51.169 52.037 0.067 0.000 0.743 616 A CB 0.826 19.861 19.000 0.057 0.000 1.258 616 A HN 1.803 nan 8.150 nan 0.000 0.429 617 c N 1.472 120.125 118.600 0.087 0.000 3.418 617 c HA 0.613 5.185 4.570 0.003 0.000 0.238 617 c C -0.030 174.111 174.090 0.084 0.000 1.205 617 c CA -0.676 55.717 56.329 0.105 0.000 1.376 617 c CB -1.337 41.238 42.510 0.109 0.000 1.826 617 c HN 1.120 nan 8.230 nan 0.000 0.513 618 V N -1.704 118.255 119.914 0.075 0.000 2.863 618 V HA 0.759 4.881 4.120 0.003 0.000 0.307 618 V C -2.503 173.621 176.094 0.049 0.000 1.061 618 V CA -2.348 59.984 62.300 0.054 0.000 1.024 618 V CB 0.492 32.342 31.823 0.044 0.000 1.049 618 V HN 0.398 nan 8.190 nan 0.000 0.471 619 P HA 0.358 nan 4.420 nan 0.000 0.263 619 P C 0.347 177.654 177.300 0.012 0.000 1.168 619 P CA 1.353 64.470 63.100 0.028 0.000 0.759 619 P CB 0.221 31.933 31.700 0.021 0.000 0.782 620 G N 2.080 110.878 108.800 -0.003 0.000 2.510 620 G HA2 0.301 4.263 3.960 0.003 0.000 0.277 620 G HA3 0.301 4.263 3.960 0.003 0.000 0.277 620 G C -0.636 174.226 174.900 -0.063 0.000 1.223 620 G CA -0.491 44.591 45.100 -0.030 0.000 0.887 620 G HN 0.247 nan 8.290 nan 0.000 0.485 621 K N -0.319 120.019 120.400 -0.103 0.000 2.483 621 K HA 0.373 4.695 4.320 0.003 0.000 0.206 621 K C 0.904 177.355 176.600 -0.248 0.000 1.086 621 K CA 0.526 56.730 56.287 -0.138 0.000 1.052 621 K CB 1.914 34.353 32.500 -0.102 0.000 0.904 621 K HN 1.765 nan 8.250 nan 0.000 0.557 622 G N 1.991 110.578 108.800 -0.356 0.000 2.145 622 G HA2 -0.195 3.767 3.960 0.003 0.000 0.145 622 G HA3 -0.195 3.767 3.960 0.003 0.000 0.145 622 G C -0.298 174.274 174.900 -0.546 0.000 1.017 622 G CA -0.478 44.171 45.100 -0.752 0.000 0.682 622 G HN 0.062 nan 8.290 nan 0.000 0.504 623 K N 0.129 120.383 120.400 -0.244 0.000 2.249 623 K HA 0.718 5.040 4.320 0.003 0.000 0.280 623 K C -0.183 176.413 176.600 -0.006 0.000 1.033 623 K CA -0.621 55.601 56.287 -0.107 0.000 0.946 623 K CB 1.014 33.459 32.500 -0.091 0.000 1.005 623 K HN 0.286 nan 8.250 nan 0.000 0.469 624 L N 3.684 124.944 121.223 0.062 0.000 2.305 624 L HA 0.532 4.874 4.340 0.003 0.000 0.284 624 L C -0.921 175.912 176.870 -0.060 0.000 1.013 624 L CA 0.089 55.003 54.840 0.123 0.000 0.819 624 L CB 1.413 43.626 42.059 0.258 0.000 1.227 624 L HN 0.793 nan 8.230 nan 0.000 0.417 625 T N 1.725 116.235 114.554 -0.074 0.000 2.841 625 T HA 0.740 5.092 4.350 0.003 0.000 0.283 625 T C -0.975 173.701 174.700 -0.040 0.000 1.000 625 T CA -0.504 61.441 62.100 -0.259 0.000 0.977 625 T CB 1.279 69.903 68.868 -0.407 0.000 0.979 625 T HN 0.464 nan 8.240 nan 0.000 0.446 626 Y N -0.285 120.069 120.300 0.090 0.000 2.386 626 Y HA 0.757 5.308 4.550 0.003 0.000 0.334 626 Y C -0.083 175.929 175.900 0.187 0.000 1.002 626 Y CA -1.240 56.969 58.100 0.182 0.000 1.068 626 Y CB 1.246 39.787 38.460 0.134 0.000 1.203 626 Y HN 0.977 nan 8.280 nan 0.000 0.443 627 T N -1.459 113.376 114.554 0.469 0.000 2.887 627 T HA 0.808 5.160 4.350 0.003 0.000 0.292 627 T C 0.381 175.276 174.700 0.324 0.000 1.087 627 T CA -0.751 61.593 62.100 0.407 0.000 1.009 627 T CB 1.500 70.662 68.868 0.491 0.000 1.203 627 T HN 1.816 nan 8.240 nan 0.000 0.518 628 G N -0.280 108.658 108.800 0.230 0.000 2.165 628 G HA2 0.135 4.097 3.960 0.003 0.000 0.144 628 G HA3 0.135 4.097 3.960 0.003 0.000 0.144 628 G C 0.228 175.164 174.900 0.060 0.000 1.049 628 G CA 0.021 45.148 45.100 0.046 0.000 0.741 628 G HN 1.631 nan 8.290 nan 0.000 0.493 629 S N -1.018 114.742 115.700 0.100 0.000 3.631 629 S HA -0.191 4.281 4.470 0.003 0.000 0.366 629 S C 0.658 175.312 174.600 0.091 0.000 0.993 629 S CA 1.148 59.399 58.200 0.086 0.000 1.167 629 S CB -1.410 61.827 63.200 0.061 0.000 0.909 629 S HN 1.020 nan 8.310 nan 0.000 0.478 630 L N 1.374 122.663 121.223 0.110 0.000 2.281 630 L HA 0.532 4.874 4.340 0.003 0.000 0.285 630 L C 1.364 178.295 176.870 0.102 0.000 1.074 630 L CA -0.413 54.489 54.840 0.103 0.000 0.817 630 L CB 0.355 42.477 42.059 0.104 0.000 1.168 630 L HN 0.379 nan 8.230 nan 0.000 0.434 631 G N 1.948 110.808 108.800 0.101 0.000 2.684 631 G HA2 0.068 4.030 3.960 0.003 0.000 0.255 631 G HA3 0.068 4.030 3.960 0.003 0.000 0.255 631 G C 0.578 175.505 174.900 0.045 0.000 1.219 631 G CA -0.373 44.773 45.100 0.078 0.000 0.901 631 G HN 0.833 nan 8.290 nan 0.000 0.548 632 E N -0.998 119.221 120.200 0.031 0.000 2.106 632 E HA -0.074 4.278 4.350 0.003 0.000 0.192 632 E C 1.452 178.045 176.600 -0.013 0.000 0.984 632 E CA 0.287 56.699 56.400 0.020 0.000 0.806 632 E CB -0.080 29.631 29.700 0.018 0.000 0.750 632 E HN 0.187 nan 8.360 nan 0.000 0.458 636 E N 1.354 121.463 120.200 -0.151 0.000 2.150 636 E HA -0.141 4.211 4.350 0.003 0.000 0.193 636 E C 1.849 178.392 176.600 -0.095 0.000 0.985 636 E CA 1.631 57.974 56.400 -0.096 0.000 0.814 636 E CB 0.021 29.692 29.700 -0.047 0.000 0.752 636 E HN 0.330 nan 8.360 nan 0.000 0.466 637 S N 0.881 116.524 115.700 -0.096 0.000 2.399 637 S HA -0.122 4.350 4.470 0.003 0.000 0.231 637 S C 2.025 176.575 174.600 -0.083 0.000 1.022 637 S CA 0.650 58.808 58.200 -0.070 0.000 0.983 637 S CB -0.390 62.781 63.200 -0.049 0.000 0.803 637 S HN 0.173 nan 8.310 nan 0.000 0.480 638 I N 1.581 122.062 120.570 -0.149 0.000 2.286 638 I HA -0.160 4.012 4.170 0.003 0.000 0.245 638 I C 3.018 179.087 176.117 -0.079 0.000 1.104 638 I CA 1.223 62.442 61.300 -0.135 0.000 1.397 638 I CB -0.464 37.383 38.000 -0.256 0.000 1.072 638 I HN 0.348 nan 8.210 nan 0.000 0.417 639 Q N 0.811 120.552 119.800 -0.100 0.000 2.061 639 Q HA -0.238 4.104 4.340 0.003 0.000 0.204 639 Q C 2.496 178.481 176.000 -0.025 0.000 0.984 639 Q CA 1.973 57.762 55.803 -0.024 0.000 0.846 639 Q CB -0.368 28.366 28.738 -0.007 0.000 0.902 639 Q HN 0.588 nan 8.270 nan 0.000 0.421 640 A N 1.131 123.932 122.820 -0.032 0.000 1.908 640 A HA -0.174 4.148 4.320 0.003 0.000 0.218 640 A C 2.317 179.891 177.584 -0.016 0.000 1.181 640 A CA 1.746 53.769 52.037 -0.023 0.000 0.627 640 A CB -0.871 18.115 19.000 -0.023 0.000 0.818 640 A HN 0.424 nan 8.150 nan 0.000 0.445 641 A N -0.657 122.154 122.820 -0.016 0.000 1.902 641 A HA -0.037 4.285 4.320 0.003 0.000 0.217 641 A C 2.133 179.722 177.584 0.008 0.000 1.181 641 A CA 1.756 53.791 52.037 -0.003 0.000 0.623 641 A CB -0.614 18.385 19.000 -0.002 0.000 0.818 641 A HN 0.674 nan 8.150 nan 0.000 0.443 642 L N -0.233 120.996 121.223 0.010 0.000 2.046 642 L HA -0.105 4.237 4.340 0.003 0.000 0.208 642 L C 2.453 179.318 176.870 -0.008 0.000 1.077 642 L CA 2.757 57.606 54.840 0.016 0.000 0.747 642 L CB -1.086 40.969 42.059 -0.005 0.000 0.896 642 L HN 0.368 nan 8.230 nan 0.000 0.432 643 T N -1.126 113.410 114.554 -0.031 0.000 2.746 643 T HA -0.174 4.178 4.350 0.003 0.000 0.267 643 T C 2.003 176.703 174.700 -0.001 0.000 1.039 643 T CA 1.599 63.680 62.100 -0.032 0.000 1.142 643 T CB -0.394 68.454 68.868 -0.033 0.000 0.866 643 T HN 0.198 nan 8.240 nan 0.000 0.444 644 V N 1.279 121.195 119.914 0.004 0.000 2.282 644 V HA -0.187 3.935 4.120 0.003 0.000 0.249 644 V C 2.640 178.748 176.094 0.022 0.000 1.057 644 V CA 1.564 63.869 62.300 0.010 0.000 1.032 644 V CB -0.725 31.100 31.823 0.005 0.000 0.645 644 V HN 0.334 nan 8.190 nan 0.000 0.447 645 V N -0.546 119.387 119.914 0.032 0.000 2.307 645 V HA -0.228 3.894 4.120 0.003 0.000 0.245 645 V C 2.584 178.741 176.094 0.105 0.000 1.045 645 V CA 1.939 64.263 62.300 0.040 0.000 1.024 645 V CB -0.790 31.049 31.823 0.027 0.000 0.651 645 V HN 0.432 nan 8.190 nan 0.000 0.449 646 R N 0.068 120.668 120.500 0.167 0.000 2.091 646 R HA -0.168 4.174 4.340 0.003 0.000 0.238 646 R C 2.323 178.698 176.300 0.125 0.000 1.136 646 R CA 1.683 57.912 56.100 0.215 0.000 0.959 646 R CB -0.589 29.738 30.300 0.045 0.000 0.856 646 R HN 0.543 nan 8.270 nan 0.000 0.437 647 A N 0.603 123.461 122.820 0.062 0.000 2.066 647 A HA -0.081 4.241 4.320 0.003 0.000 0.218 647 A C 1.690 179.299 177.584 0.040 0.000 1.157 647 A CA 0.867 52.929 52.037 0.040 0.000 0.670 647 A CB -0.039 18.973 19.000 0.019 0.000 0.804 647 A HN 0.220 nan 8.150 nan 0.000 0.453 648 R N -0.850 119.674 120.500 0.041 0.000 2.432 648 R HA 0.357 4.699 4.340 0.003 0.000 0.260 648 R C 1.917 178.233 176.300 0.026 0.000 0.935 648 R CA 0.444 56.559 56.100 0.025 0.000 1.080 648 R CB -0.008 30.298 30.300 0.009 0.000 1.155 648 R HN 0.418 nan 8.270 nan 0.000 0.531 649 A N 1.721 124.577 122.820 0.060 0.000 1.884 649 A HA -0.256 4.065 4.320 0.003 0.000 0.219 649 A C 1.982 179.583 177.584 0.028 0.000 1.197 649 A CA 1.553 53.623 52.037 0.055 0.000 0.637 649 A CB -0.245 18.874 19.000 0.198 0.000 0.827 649 A HN 0.226 nan 8.150 nan 0.000 0.450 650 E N -0.728 119.499 120.200 0.045 0.000 2.106 650 E HA -0.176 4.176 4.350 0.003 0.000 0.192 650 E C 2.085 178.693 176.600 0.013 0.000 0.984 650 E CA 1.394 57.812 56.400 0.030 0.000 0.806 650 E CB -0.144 29.578 29.700 0.035 0.000 0.750 650 E HN 0.642 nan 8.360 nan 0.000 0.458 651 K N 0.216 120.622 120.400 0.010 0.000 2.147 651 K HA -0.122 4.200 4.320 0.003 0.000 0.205 651 K C 1.801 178.398 176.600 -0.006 0.000 1.049 651 K CA 0.599 56.888 56.287 0.003 0.000 0.936 651 K CB 0.031 32.533 32.500 0.004 0.000 0.722 651 K HN -0.016 nan 8.250 nan 0.000 0.446 652 L N -0.300 120.915 121.223 -0.014 0.000 2.554 652 L HA 0.185 4.527 4.340 0.003 0.000 0.226 652 L C 1.250 178.098 176.870 -0.036 0.000 1.137 652 L CA 1.540 56.362 54.840 -0.030 0.000 0.863 652 L CB -0.098 41.930 42.059 -0.051 0.000 0.985 652 L HN 0.512 nan 8.230 nan 0.000 0.451 653 G N -0.490 108.296 108.800 -0.024 0.000 2.141 653 G HA2 -0.263 3.698 3.960 0.003 0.000 0.242 653 G HA3 -0.263 3.698 3.960 0.003 0.000 0.242 653 G C 0.430 175.312 174.900 -0.029 0.000 0.982 653 G CA 0.177 45.265 45.100 -0.019 0.000 0.662 653 G HN 0.305 nan 8.290 nan 0.000 0.527 654 I N 0.818 121.358 120.570 -0.051 0.000 2.396 654 I HA 0.220 4.392 4.170 0.003 0.000 0.292 654 I C 0.703 176.833 176.117 0.022 0.000 0.999 654 I CA -1.063 60.188 61.300 -0.082 0.000 1.310 654 I CB 1.114 38.947 38.000 -0.279 0.000 1.404 654 I HN 0.116 nan 8.210 nan 0.000 0.496 655 N N 8.794 127.538 118.700 0.073 0.000 2.411 655 N HA 0.005 4.747 4.740 0.003 0.000 0.265 655 N C -1.623 174.051 175.510 0.273 0.000 1.266 655 N CA -1.355 51.779 53.050 0.140 0.000 0.889 655 N CB 0.696 39.265 38.487 0.136 0.000 1.069 655 N HN 0.317 nan 8.380 nan 0.000 0.476 656 P HA -0.050 nan 4.420 nan 0.000 0.239 656 P C -0.436 176.976 177.300 0.188 0.000 1.184 656 P CA 0.785 64.036 63.100 0.252 0.000 0.760 656 P CB 0.014 31.796 31.700 0.136 0.000 0.884 657 D N -1.302 119.189 120.400 0.152 0.000 2.463 657 D HA -0.027 4.615 4.640 0.003 0.000 0.224 657 D C 1.264 177.582 176.300 0.030 0.000 1.174 657 D CA -0.783 53.242 54.000 0.040 0.000 0.829 657 D CB -1.327 39.494 40.800 0.035 0.000 0.993 657 D HN 0.170 nan 8.370 nan 0.000 0.497 658 F N -1.190 118.809 119.950 0.083 0.000 2.333 658 F HA -0.038 4.491 4.527 0.003 0.000 0.300 658 F C 1.632 177.506 175.800 0.123 0.000 1.083 658 F CA 0.098 58.149 58.000 0.085 0.000 1.395 658 F CB -0.692 38.360 39.000 0.086 0.000 1.056 658 F HN 0.031 nan 8.300 nan 0.000 0.529 659 Y N 1.270 120.909 120.300 -1.102 0.000 2.439 659 Y HA -0.064 4.487 4.550 0.002 0.000 0.292 659 Y C 2.163 177.895 175.900 -0.280 0.000 1.130 659 Y CA 1.103 58.770 58.100 -0.723 0.000 1.254 659 Y CB -0.153 37.847 38.460 -0.767 0.000 1.000 659 Y HN 0.172 nan 8.280 nan 0.000 0.554 660 E N -0.111 119.945 120.200 -0.241 0.000 2.216 660 E HA -0.105 4.247 4.350 0.003 0.000 0.192 660 E C 0.857 177.365 176.600 -0.153 0.000 0.988 660 E CA 0.782 57.068 56.400 -0.190 0.000 0.834 660 E CB 0.138 29.783 29.700 -0.093 0.000 0.772 660 E HN 0.388 nan 8.360 nan 0.000 0.479 661 K N 0.421 120.766 120.400 -0.092 0.000 2.592 661 K HA 0.227 4.549 4.320 0.003 0.000 0.203 661 K C -0.085 176.518 176.600 0.005 0.000 1.070 661 K CA -0.101 56.166 56.287 -0.033 0.000 1.062 661 K CB 1.160 33.667 32.500 0.012 0.000 0.814 661 K HN -0.152 nan 8.250 nan 0.000 0.502 662 R N 1.081 121.572 120.500 -0.015 0.000 2.673 662 R HA 0.316 4.658 4.340 0.003 0.000 0.281 662 R C -1.188 175.100 176.300 -0.020 0.000 0.991 662 R CA -0.685 55.446 56.100 0.051 0.000 0.896 662 R CB 1.899 32.326 30.300 0.212 0.000 1.201 662 R HN 0.019 nan 8.270 nan 0.000 0.457 663 D N 2.080 122.489 120.400 0.014 0.000 2.185 663 D HA 0.443 5.085 4.640 0.003 0.000 0.247 663 D C 0.027 176.389 176.300 0.102 0.000 1.027 663 D CA -0.359 53.650 54.000 0.015 0.000 0.861 663 D CB 1.713 42.509 40.800 -0.006 0.000 1.202 663 D HN 0.147 nan 8.370 nan 0.000 0.453 664 I N 1.984 122.642 120.570 0.148 0.000 2.436 664 I HA 0.155 4.327 4.170 0.003 0.000 0.289 664 I C -0.503 175.751 176.117 0.229 0.000 1.010 664 I CA -0.538 60.888 61.300 0.210 0.000 1.098 664 I CB 1.331 39.499 38.000 0.280 0.000 1.266 664 I HN 0.347 nan 8.210 nan 0.000 0.434 665 H N 6.352 125.489 119.070 0.111 0.000 2.708 665 H HA 0.555 5.113 4.556 0.003 0.000 0.320 665 H C -1.469 173.944 175.328 0.142 0.000 0.991 665 H CA -0.668 55.446 56.048 0.108 0.000 1.243 665 H CB 1.427 31.228 29.762 0.064 0.000 1.446 665 H HN 0.218 nan 8.280 nan 0.000 0.502 666 V N 7.023 127.196 119.914 0.432 0.000 2.383 666 V HA 0.212 4.334 4.120 0.003 0.000 0.275 666 V C 0.157 176.433 176.094 0.302 0.000 1.036 666 V CA -0.508 61.955 62.300 0.271 0.000 0.889 666 V CB 0.833 32.803 31.823 0.246 0.000 0.985 666 V HN 0.771 nan 8.190 nan 0.000 0.459 667 H N 3.820 122.886 119.070 -0.005 0.000 2.679 667 H HA 0.641 5.199 4.556 0.003 0.000 0.360 667 H C -1.759 173.567 175.328 -0.004 0.000 1.105 667 H CA -0.593 55.439 56.048 -0.027 0.000 1.196 667 H CB 2.435 32.059 29.762 -0.230 0.000 1.636 667 H HN 0.436 nan 8.280 nan 0.000 0.531 668 V N 7.033 126.651 119.914 -0.494 0.000 2.327 668 V HA 0.218 4.340 4.120 0.003 0.000 0.272 668 V C -2.367 173.457 176.094 -0.449 0.000 1.019 668 V CA -1.543 60.548 62.300 -0.348 0.000 0.814 668 V CB 0.640 32.381 31.823 -0.136 0.000 1.040 668 V HN 0.661 nan 8.190 nan 0.000 0.440 669 P HA 0.175 nan 4.420 nan 0.000 0.272 669 P C -0.246 176.978 177.300 -0.127 0.000 1.240 669 P CA -0.192 62.774 63.100 -0.224 0.000 0.791 669 P CB 0.606 32.246 31.700 -0.099 0.000 0.978 670 E N 0.641 120.793 120.200 -0.079 0.000 2.354 670 E HA 0.119 4.471 4.350 0.003 0.000 0.269 670 E C 1.661 178.242 176.600 -0.031 0.000 1.036 670 E CA -0.188 56.186 56.400 -0.043 0.000 0.876 670 E CB 0.100 29.782 29.700 -0.029 0.000 1.009 670 E HN 0.586 nan 8.360 nan 0.000 0.416 671 G N 2.342 111.155 108.800 0.022 0.000 2.450 671 G HA2 -0.261 3.701 3.960 0.003 0.000 0.220 671 G HA3 -0.261 3.701 3.960 0.003 0.000 0.220 671 G C 1.222 176.154 174.900 0.052 0.000 1.130 671 G CA 0.908 46.053 45.100 0.075 0.000 0.760 671 G HN 0.556 nan 8.290 nan 0.000 0.557 672 A N -0.545 122.292 122.820 0.029 0.000 2.218 672 A HA 0.368 4.690 4.320 0.003 0.000 0.209 672 A C 1.148 178.734 177.584 0.005 0.000 1.168 672 A CA 0.585 52.635 52.037 0.022 0.000 0.804 672 A CB 0.078 19.087 19.000 0.015 0.000 0.834 672 A HN 0.173 nan 8.150 nan 0.000 0.482 673 T N 3.195 117.741 114.554 -0.014 0.000 2.727 673 T HA 0.424 4.776 4.350 0.003 0.000 0.298 673 T C -2.775 171.904 174.700 -0.035 0.000 0.942 673 T CA -1.046 61.029 62.100 -0.042 0.000 0.997 673 T CB 1.122 69.947 68.868 -0.072 0.000 0.917 673 T HN 0.071 nan 8.240 nan 0.000 0.487 674 P HA 0.246 nan 4.420 nan 0.000 0.266 674 P C -0.428 176.868 177.300 -0.006 0.000 1.195 674 P CA -0.183 62.935 63.100 0.029 0.000 0.768 674 P CB 0.567 32.313 31.700 0.077 0.000 0.838 675 K N 1.683 122.143 120.400 0.101 0.000 2.512 675 K HA 0.724 5.046 4.320 0.003 0.000 0.263 675 K C -1.238 175.539 176.600 0.295 0.000 0.966 675 K CA -0.687 55.683 56.287 0.140 0.000 0.851 675 K CB 2.360 34.892 32.500 0.053 0.000 1.395 675 K HN 0.354 nan 8.250 nan 0.000 0.440 676 D N -0.917 119.727 120.400 0.406 0.000 2.808 676 D HA 0.488 5.130 4.640 0.003 0.000 0.294 676 D C -1.038 175.386 176.300 0.206 0.000 1.278 676 D CA 0.939 55.099 54.000 0.268 0.000 0.756 676 D CB 1.743 42.662 40.800 0.198 0.000 1.271 676 D HN 0.695 nan 8.370 nan 0.000 0.425 677 G N 0.409 109.232 108.800 0.039 0.000 2.712 677 G HA2 -0.042 3.920 3.960 0.003 0.000 0.683 677 G HA3 -0.042 3.920 3.960 0.003 0.000 0.683 677 G C -2.242 172.666 174.900 0.014 0.000 1.320 677 G CA -0.139 44.957 45.100 -0.006 0.000 0.847 677 G HN 0.472 nan 8.290 nan 0.000 0.553 678 P HA 0.317 nan 4.420 nan 0.000 0.261 678 P C 1.282 178.589 177.300 0.012 0.000 1.268 678 P CA 1.141 64.239 63.100 -0.003 0.000 0.833 678 P CB 0.559 32.252 31.700 -0.013 0.000 1.231 679 A N 0.578 123.417 122.820 0.032 0.000 2.167 679 A HA 0.287 4.609 4.320 0.003 0.000 0.214 679 A C 2.071 179.672 177.584 0.029 0.000 1.151 679 A CA 0.978 53.036 52.037 0.035 0.000 0.735 679 A CB -0.795 18.237 19.000 0.054 0.000 0.802 679 A HN 0.212 nan 8.150 nan 0.000 0.467 680 A N -0.589 122.246 122.820 0.025 0.000 2.251 680 A HA 0.393 4.715 4.320 0.003 0.000 0.209 680 A C 2.006 179.593 177.584 0.005 0.000 1.187 680 A CA 0.910 52.955 52.037 0.014 0.000 0.823 680 A CB -0.847 18.159 19.000 0.010 0.000 0.846 680 A HN 0.553 nan 8.150 nan 0.000 0.486 681 G N 1.761 110.563 108.800 0.004 0.000 2.491 681 G HA2 -0.310 3.652 3.960 0.003 0.000 0.218 681 G HA3 -0.310 3.652 3.960 0.003 0.000 0.218 681 G C 1.496 176.397 174.900 0.002 0.000 1.180 681 G CA 1.470 46.568 45.100 -0.002 0.000 0.774 681 G HN 0.865 nan 8.290 nan 0.000 0.562 682 I N -0.329 120.246 120.570 0.008 0.000 2.394 682 I HA 0.307 4.479 4.170 0.003 0.000 0.251 682 I C 1.918 178.039 176.117 0.008 0.000 1.136 682 I CA 0.490 61.796 61.300 0.010 0.000 1.425 682 I CB -0.531 37.479 38.000 0.017 0.000 1.079 682 I HN 0.199 nan 8.210 nan 0.000 0.425 686 T N 1.565 116.120 114.554 0.003 0.000 2.746 686 T HA -0.083 4.269 4.350 0.003 0.000 0.267 686 T C 1.937 176.636 174.700 -0.001 0.000 1.039 686 T CA 1.945 64.044 62.100 -0.001 0.000 1.142 686 T CB -0.356 68.512 68.868 -0.001 0.000 0.866 686 T HN 0.651 nan 8.240 nan 0.000 0.444 687 A N 1.238 124.061 122.820 0.005 0.000 1.902 687 A HA 0.003 4.325 4.320 0.003 0.000 0.217 687 A C 2.291 179.883 177.584 0.013 0.000 1.181 687 A CA 1.231 53.273 52.037 0.010 0.000 0.623 687 A CB -0.843 18.166 19.000 0.016 0.000 0.818 687 A HN 0.473 nan 8.150 nan 0.000 0.443 688 L N -0.688 120.546 121.223 0.019 0.000 2.046 688 L HA -0.155 4.187 4.340 0.003 0.000 0.208 688 L C 2.526 179.384 176.870 -0.020 0.000 1.077 688 L CA 1.021 55.874 54.840 0.021 0.000 0.747 688 L CB -0.592 41.490 42.059 0.040 0.000 0.896 688 L HN 0.236 nan 8.230 nan 0.000 0.432 689 V N -0.913 118.983 119.914 -0.030 0.000 2.295 689 V HA -0.315 3.807 4.120 0.003 0.000 0.246 689 V C 2.732 178.796 176.094 -0.050 0.000 1.049 689 V CA 2.084 64.350 62.300 -0.057 0.000 1.024 689 V CB -0.379 31.419 31.823 -0.042 0.000 0.648 689 V HN 0.509 nan 8.190 nan 0.000 0.447 690 S N -1.340 114.344 115.700 -0.027 0.000 2.356 690 S HA -0.272 4.200 4.470 0.003 0.000 0.223 690 S C 2.120 176.709 174.600 -0.019 0.000 1.032 690 S CA 2.087 60.275 58.200 -0.020 0.000 1.005 690 S CB -0.673 62.521 63.200 -0.010 0.000 0.867 690 S HN 0.685 nan 8.310 nan 0.000 0.449 691 c N 1.008 119.601 118.600 -0.011 0.000 2.446 691 c HA 0.146 4.718 4.570 0.003 0.000 0.277 691 c C 2.491 176.571 174.090 -0.017 0.000 1.275 691 c CA 0.819 57.147 56.329 -0.001 0.000 1.727 691 c CB -1.644 40.879 42.510 0.022 0.000 2.010 691 c HN 0.696 nan 8.230 nan 0.000 0.486 692 L N 0.715 121.907 121.223 -0.052 0.000 2.395 692 L HA -0.002 4.340 4.340 0.003 0.000 0.218 692 L C 2.490 179.299 176.870 -0.101 0.000 1.130 692 L CA 1.820 56.597 54.840 -0.105 0.000 0.826 692 L CB -0.453 41.448 42.059 -0.263 0.000 0.941 692 L HN 0.607 nan 8.230 nan 0.000 0.451 693 T N -5.256 109.252 114.554 -0.077 0.000 3.023 693 T HA 0.239 4.591 4.350 0.003 0.000 0.253 693 T C 1.474 176.154 174.700 -0.033 0.000 1.038 693 T CA 0.401 62.466 62.100 -0.059 0.000 0.962 693 T CB 0.739 69.571 68.868 -0.059 0.000 1.018 693 T HN 0.321 nan 8.240 nan 0.000 0.521 694 G N 2.091 110.876 108.800 -0.025 0.000 2.168 694 G HA2 -0.324 3.638 3.960 0.003 0.000 0.257 694 G HA3 -0.324 3.638 3.960 0.003 0.000 0.257 694 G C -0.072 174.820 174.900 -0.013 0.000 0.997 694 G CA 0.278 45.370 45.100 -0.014 0.000 0.708 694 G HN 0.818 nan 8.290 nan 0.000 0.520 695 N N 1.526 120.216 118.700 -0.017 0.000 2.415 695 N HA 0.414 5.156 4.740 0.003 0.000 0.246 695 N C -1.989 173.514 175.510 -0.011 0.000 1.078 695 N CA -1.607 51.434 53.050 -0.014 0.000 0.942 695 N CB 1.283 39.760 38.487 -0.017 0.000 1.140 695 N HN 0.116 nan 8.380 nan 0.000 0.501 696 P HA -0.016 nan 4.420 nan 0.000 0.269 696 P C -0.378 176.918 177.300 -0.008 0.000 1.215 696 P CA -0.171 62.925 63.100 -0.007 0.000 0.780 696 P CB 0.981 32.678 31.700 -0.006 0.000 0.898 697 V N 3.569 123.478 119.914 -0.008 0.000 2.686 697 V HA 0.210 4.332 4.120 0.003 0.000 0.295 697 V C 1.372 177.460 176.094 -0.011 0.000 1.057 697 V CA -0.482 61.812 62.300 -0.009 0.000 1.012 697 V CB 0.229 32.046 31.823 -0.009 0.000 1.006 697 V HN 0.484 nan 8.190 nan 0.000 0.477 698 R N 1.906 122.398 120.500 -0.013 0.000 2.643 698 R HA 0.433 4.775 4.340 0.003 0.000 0.270 698 R C 0.331 176.621 176.300 -0.017 0.000 1.061 698 R CA -0.019 56.072 56.100 -0.015 0.000 1.107 698 R CB 0.529 30.817 30.300 -0.020 0.000 0.999 698 R HN 0.916 nan 8.270 nan 0.000 0.460 699 A N 2.285 125.095 122.820 -0.016 0.000 2.462 699 A HA 0.087 4.409 4.320 0.003 0.000 0.243 699 A C 0.039 177.610 177.584 -0.021 0.000 1.076 699 A CA 0.125 52.152 52.037 -0.016 0.000 0.773 699 A CB 0.062 19.054 19.000 -0.013 0.000 1.010 699 A HN 0.962 nan 8.150 nan 0.000 0.493 700 D N -0.938 119.449 120.400 -0.021 0.000 2.945 700 D HA -0.130 4.512 4.640 0.003 0.000 0.225 700 D C -0.469 175.812 176.300 -0.032 0.000 1.158 700 D CA 1.412 55.398 54.000 -0.024 0.000 0.805 700 D CB -1.340 39.447 40.800 -0.021 0.000 1.098 700 D HN 0.357 nan 8.370 nan 0.000 0.426 701 V N -0.190 119.704 119.914 -0.034 0.000 2.513 701 V HA 0.877 4.999 4.120 0.003 0.000 0.299 701 V C 0.559 176.633 176.094 -0.032 0.000 1.035 701 V CA -0.052 62.221 62.300 -0.045 0.000 0.889 701 V CB 1.815 33.607 31.823 -0.051 0.000 0.988 701 V HN 0.248 nan 8.190 nan 0.000 0.440 705 G N 2.753 111.568 108.800 0.026 0.000 2.282 705 G HA2 0.364 4.326 3.960 0.003 0.000 0.274 705 G HA3 0.364 4.326 3.960 0.003 0.000 0.274 705 G C -1.377 173.535 174.900 0.021 0.000 1.718 705 G CA -0.538 44.578 45.100 0.027 0.000 0.927 705 G HN 0.828 nan 8.290 nan 0.000 0.733 706 E N 1.766 121.977 120.200 0.019 0.000 2.290 706 E HA 0.486 4.838 4.350 0.003 0.000 0.277 706 E C -0.094 176.512 176.600 0.010 0.000 1.035 706 E CA -0.621 55.785 56.400 0.011 0.000 0.873 706 E CB 1.060 30.764 29.700 0.007 0.000 1.029 706 E HN 0.494 nan 8.360 nan 0.000 0.419 707 I N 3.789 124.361 120.570 0.004 0.000 2.566 707 I HA 0.294 4.466 4.170 0.003 0.000 0.303 707 I C -0.161 175.955 176.117 -0.001 0.000 0.983 707 I CA -0.232 61.070 61.300 0.003 0.000 1.235 707 I CB 1.398 39.399 38.000 0.001 0.000 1.386 707 I HN 0.701 nan 8.210 nan 0.000 0.494 708 T N 3.734 118.287 114.554 -0.000 0.000 2.916 708 T HA 0.401 4.753 4.350 0.003 0.000 0.292 708 T C 1.020 175.718 174.700 -0.004 0.000 1.064 708 T CA -0.889 61.209 62.100 -0.003 0.000 1.011 708 T CB 1.522 70.389 68.868 -0.002 0.000 1.152 708 T HN 0.524 nan 8.240 nan 0.000 0.510 709 L N 0.494 121.714 121.223 -0.005 0.000 2.131 709 L HA -0.052 4.290 4.340 0.003 0.000 0.210 709 L C 2.969 179.837 176.870 -0.003 0.000 1.092 709 L CA 1.463 56.300 54.840 -0.005 0.000 0.759 709 L CB -0.568 41.487 42.059 -0.006 0.000 0.903 709 L HN 0.770 nan 8.230 nan 0.000 0.435 710 R N 0.696 121.194 120.500 -0.004 0.000 2.316 710 R HA 0.008 4.350 4.340 0.003 0.000 0.202 710 R C 1.335 177.633 176.300 -0.004 0.000 1.029 710 R CA 0.892 56.990 56.100 -0.004 0.000 1.018 710 R CB -0.269 30.028 30.300 -0.006 0.000 0.888 710 R HN 0.303 nan 8.270 nan 0.000 0.471 711 G N 0.786 109.585 108.800 -0.003 0.000 2.176 711 G HA2 -0.366 3.596 3.960 0.003 0.000 0.253 711 G HA3 -0.366 3.596 3.960 0.003 0.000 0.253 711 G C -0.100 174.800 174.900 -0.001 0.000 0.979 711 G CA 0.334 45.433 45.100 -0.001 0.000 0.641 711 G HN 0.558 nan 8.290 nan 0.000 0.530 712 Q N 0.296 120.094 119.800 -0.002 0.000 2.352 712 Q HA 0.524 4.866 4.340 0.003 0.000 0.260 712 Q C 0.147 176.154 176.000 0.011 0.000 0.976 712 Q CA -0.238 55.566 55.803 0.000 0.000 0.881 712 Q CB 1.081 29.817 28.738 -0.003 0.000 1.235 712 Q HN 0.284 nan 8.270 nan 0.000 0.419 713 V N 6.021 125.948 119.914 0.022 0.000 2.370 713 V HA 0.323 4.445 4.120 0.003 0.000 0.279 713 V C -0.104 176.016 176.094 0.043 0.000 1.029 713 V CA -0.543 61.777 62.300 0.034 0.000 0.870 713 V CB 0.892 32.744 31.823 0.049 0.000 0.984 713 V HN 0.717 nan 8.190 nan 0.000 0.451 714 L N 7.211 128.454 121.223 0.034 0.000 2.344 714 L HA 0.565 4.907 4.340 0.003 0.000 0.272 714 L C -2.160 174.731 176.870 0.036 0.000 1.035 714 L CA -1.989 52.872 54.840 0.034 0.000 0.807 714 L CB 1.940 44.011 42.059 0.019 0.000 1.237 714 L HN 0.389 nan 8.230 nan 0.000 0.442 715 P HA 0.208 nan 4.420 nan 0.000 0.272 715 P C -1.031 176.281 177.300 0.020 0.000 1.223 715 P CA -0.188 62.930 63.100 0.030 0.000 0.784 715 P CB 0.891 32.607 31.700 0.027 0.000 0.923 716 I N -1.544 119.037 120.570 0.019 0.000 2.910 716 I HA 0.799 4.971 4.170 0.003 0.000 0.310 716 I C 0.352 176.479 176.117 0.017 0.000 1.043 716 I CA -1.331 59.980 61.300 0.018 0.000 1.053 716 I CB 0.822 38.838 38.000 0.026 0.000 1.242 716 I HN 0.345 nan 8.210 nan 0.000 0.452 717 G N 0.320 109.130 108.800 0.018 0.000 2.528 717 G HA2 0.497 4.459 3.960 0.003 0.000 0.289 717 G HA3 0.497 4.459 3.960 0.003 0.000 0.289 717 G C 0.562 175.487 174.900 0.041 0.000 1.192 717 G CA -0.558 44.554 45.100 0.021 0.000 0.921 717 G HN 1.874 nan 8.290 nan 0.000 0.512 718 G N -1.034 107.790 108.800 0.041 0.000 2.273 718 G HA2 -0.197 3.765 3.960 0.003 0.000 0.280 718 G HA3 -0.197 3.765 3.960 0.003 0.000 0.280 718 G C 1.028 175.952 174.900 0.041 0.000 1.047 718 G CA 0.696 45.828 45.100 0.053 0.000 0.869 718 G HN 1.016 nan 8.290 nan 0.000 0.502 719 L N 0.136 121.374 121.223 0.025 0.000 2.079 719 L HA 0.067 4.409 4.340 0.003 0.000 0.210 719 L C 2.698 179.577 176.870 0.014 0.000 1.081 719 L CA 3.036 57.886 54.840 0.018 0.000 0.752 719 L CB -0.274 41.789 42.059 0.006 0.000 0.896 719 L HN 0.432 nan 8.230 nan 0.000 0.433 720 K N -0.462 119.944 120.400 0.011 0.000 2.032 720 K HA -0.278 4.044 4.320 0.003 0.000 0.209 720 K C 2.149 178.757 176.600 0.014 0.000 1.048 720 K CA 1.984 58.275 56.287 0.007 0.000 0.927 720 K CB -0.204 32.299 32.500 0.004 0.000 0.712 720 K HN 0.498 nan 8.250 nan 0.000 0.441 721 E N 0.582 120.795 120.200 0.021 0.000 2.085 721 E HA -0.216 4.136 4.350 0.003 0.000 0.194 721 E C 1.778 178.390 176.600 0.020 0.000 0.994 721 E CA 1.498 57.911 56.400 0.022 0.000 0.801 721 E CB 0.169 29.888 29.700 0.031 0.000 0.743 721 E HN 0.267 nan 8.360 nan 0.000 0.453 722 K N 0.174 120.589 120.400 0.024 0.000 2.026 722 K HA -0.112 4.210 4.320 0.003 0.000 0.208 722 K C 2.304 178.917 176.600 0.022 0.000 1.048 722 K CA 1.218 57.518 56.287 0.021 0.000 0.929 722 K CB -0.146 32.370 32.500 0.026 0.000 0.713 722 K HN 0.196 nan 8.250 nan 0.000 0.439 723 L N 0.984 122.219 121.223 0.020 0.000 2.083 723 L HA -0.172 4.170 4.340 0.003 0.000 0.209 723 L C 2.394 179.292 176.870 0.047 0.000 1.083 723 L CA 0.689 55.543 54.840 0.023 0.000 0.752 723 L CB -0.434 41.627 42.059 0.003 0.000 0.899 723 L HN 0.235 nan 8.230 nan 0.000 0.433 724 L N -0.074 121.174 121.223 0.042 0.000 2.046 724 L HA -0.198 4.144 4.340 0.003 0.000 0.208 724 L C 2.870 179.784 176.870 0.073 0.000 1.077 724 L CA 1.923 56.806 54.840 0.072 0.000 0.747 724 L CB -1.163 40.923 42.059 0.046 0.000 0.896 724 L HN 0.254 nan 8.230 nan 0.000 0.432 725 A N -0.208 122.634 122.820 0.036 0.000 1.902 725 A HA -0.161 4.161 4.320 0.003 0.000 0.217 725 A C 2.522 180.117 177.584 0.019 0.000 1.181 725 A CA 1.778 53.825 52.037 0.015 0.000 0.623 725 A CB -0.563 18.436 19.000 -0.003 0.000 0.818 725 A HN 0.430 nan 8.150 nan 0.000 0.443 726 A N -1.226 121.615 122.820 0.035 0.000 1.877 726 A HA -0.232 4.090 4.320 0.003 0.000 0.216 726 A C 2.161 179.779 177.584 0.056 0.000 1.186 726 A CA 1.776 53.834 52.037 0.034 0.000 0.620 726 A CB -1.008 18.014 19.000 0.036 0.000 0.822 726 A HN 0.783 nan 8.150 nan 0.000 0.443 727 H N -0.372 118.690 119.070 -0.013 0.000 2.357 727 H HA -0.042 4.516 4.556 0.003 0.000 0.301 727 H C 2.289 177.609 175.328 -0.012 0.000 1.082 727 H CA 1.602 57.643 56.048 -0.012 0.000 1.342 727 H CB -0.035 29.721 29.762 -0.009 0.000 1.389 727 H HN 0.435 nan 8.280 nan 0.000 0.511 728 R N -0.333 120.103 120.500 -0.106 0.000 2.120 728 R HA -0.078 4.264 4.340 0.003 0.000 0.234 728 R C 2.394 178.623 176.300 -0.118 0.000 1.123 728 R CA 0.967 56.983 56.100 -0.141 0.000 0.975 728 R CB -0.244 30.026 30.300 -0.050 0.000 0.866 728 R HN 0.315 nan 8.270 nan 0.000 0.446 729 G N -0.684 108.071 108.800 -0.075 0.000 2.920 729 G HA2 0.115 4.077 3.960 0.003 0.000 0.208 729 G HA3 0.115 4.077 3.960 0.003 0.000 0.208 729 G C 0.807 175.670 174.900 -0.063 0.000 1.159 729 G CA 0.357 45.422 45.100 -0.058 0.000 0.784 729 G HN 0.455 nan 8.290 nan 0.000 0.535 730 G N 0.036 108.781 108.800 -0.092 0.000 2.198 730 G HA2 -0.266 3.696 3.960 0.003 0.000 0.260 730 G HA3 -0.266 3.696 3.960 0.003 0.000 0.260 730 G C 0.370 175.248 174.900 -0.036 0.000 1.025 730 G CA -0.019 45.035 45.100 -0.077 0.000 0.769 730 G HN 0.328 nan 8.290 nan 0.000 0.507 731 I N 0.327 120.885 120.570 -0.020 0.000 2.588 731 I HA 0.147 4.319 4.170 0.003 0.000 0.283 731 I C 1.530 177.650 176.117 0.006 0.000 1.119 731 I CA 0.851 62.146 61.300 -0.009 0.000 1.419 731 I CB 1.460 39.458 38.000 -0.004 0.000 1.394 731 I HN 0.463 nan 8.210 nan 0.000 0.562 732 K N 3.844 124.240 120.400 -0.006 0.000 2.276 732 K HA 0.095 4.417 4.320 0.003 0.000 0.198 732 K C 0.158 176.748 176.600 -0.017 0.000 1.052 732 K CA 0.661 56.947 56.287 -0.002 0.000 0.984 732 K CB 0.398 32.893 32.500 -0.009 0.000 0.836 732 K HN 0.559 nan 8.250 nan 0.000 0.490 733 T N 1.428 115.955 114.554 -0.045 0.000 2.841 733 T HA 0.445 4.797 4.350 0.003 0.000 0.285 733 T C -1.538 173.113 174.700 -0.082 0.000 0.991 733 T CA -0.737 61.303 62.100 -0.098 0.000 0.966 733 T CB 2.021 70.789 68.868 -0.166 0.000 0.962 733 T HN -0.064 nan 8.240 nan 0.000 0.438 734 V N 4.861 124.733 119.914 -0.069 0.000 2.487 734 V HA 0.487 4.609 4.120 0.003 0.000 0.298 734 V C -0.328 175.752 176.094 -0.024 0.000 1.028 734 V CA -0.983 61.296 62.300 -0.036 0.000 0.860 734 V CB 1.590 33.410 31.823 -0.005 0.000 0.991 734 V HN 0.729 nan 8.190 nan 0.000 0.427 735 L N 6.450 127.665 121.223 -0.013 0.000 2.276 735 L HA 0.669 5.011 4.340 0.003 0.000 0.286 735 L C -0.125 176.768 176.870 0.038 0.000 1.061 735 L CA -0.269 54.590 54.840 0.031 0.000 0.807 735 L CB 0.887 42.963 42.059 0.029 0.000 1.177 735 L HN 0.666 nan 8.230 nan 0.000 0.429 736 I N 0.715 121.317 120.570 0.053 0.000 2.957 736 I HA 0.698 4.870 4.170 0.003 0.000 0.310 736 I C -2.652 173.501 176.117 0.060 0.000 1.063 736 I CA -2.992 58.333 61.300 0.041 0.000 1.033 736 I CB 2.127 40.139 38.000 0.020 0.000 1.230 736 I HN 0.240 nan 8.210 nan 0.000 0.447 737 P HA 0.096 nan 4.420 nan 0.000 0.268 737 P C 0.101 177.460 177.300 0.099 0.000 1.205 737 P CA 0.004 63.157 63.100 0.087 0.000 0.771 737 P CB 0.368 32.108 31.700 0.066 0.000 0.858 738 F N 2.643 122.600 119.950 0.012 0.000 2.120 738 F HA -0.223 4.306 4.527 0.003 0.000 0.300 738 F C 1.628 177.431 175.800 0.005 0.000 1.095 738 F CA 1.803 59.808 58.000 0.008 0.000 1.249 738 F CB -0.189 38.813 39.000 0.004 0.000 0.995 738 F HN 0.406 nan 8.300 nan 0.000 0.480 739 E N -0.654 119.631 120.200 0.142 0.000 2.512 739 E HA -0.088 4.264 4.350 0.003 0.000 0.195 739 E C 0.762 177.356 176.600 -0.010 0.000 1.083 739 E CA 0.236 56.673 56.400 0.061 0.000 0.873 739 E CB -0.380 29.380 29.700 0.100 0.000 0.897 739 E HN 0.566 nan 8.360 nan 0.000 0.514 740 N N 0.071 118.750 118.700 -0.035 0.000 2.270 740 N HA 0.034 4.776 4.740 0.003 0.000 0.198 740 N C 0.962 176.420 175.510 -0.087 0.000 1.117 740 N CA -0.063 52.961 53.050 -0.044 0.000 0.845 740 N CB 0.394 38.870 38.487 -0.018 0.000 0.980 740 N HN -0.020 nan 8.380 nan 0.000 0.486 741 K N 0.649 120.950 120.400 -0.165 0.000 2.103 741 K HA -0.068 4.254 4.320 0.003 0.000 0.207 741 K C 1.762 178.289 176.600 -0.122 0.000 1.048 741 K CA 0.945 57.114 56.287 -0.195 0.000 0.930 741 K CB 0.055 32.344 32.500 -0.351 0.000 0.716 741 K HN 0.170 nan 8.250 nan 0.000 0.444 742 R N 0.755 121.197 120.500 -0.097 0.000 2.127 742 R HA -0.129 4.213 4.340 0.003 0.000 0.238 742 R C 1.198 177.471 176.300 -0.045 0.000 1.134 742 R CA 1.385 57.448 56.100 -0.060 0.000 0.975 742 R CB -0.074 30.201 30.300 -0.041 0.000 0.865 742 R HN 0.256 nan 8.270 nan 0.000 0.447 743 D N 0.403 120.778 120.400 -0.042 0.000 2.347 743 D HA -0.062 4.580 4.640 0.003 0.000 0.215 743 D C 1.742 178.023 176.300 -0.032 0.000 0.976 743 D CA 0.513 54.495 54.000 -0.029 0.000 0.884 743 D CB 0.137 40.925 40.800 -0.020 0.000 0.915 743 D HN 0.259 nan 8.370 nan 0.000 0.526 744 L N 0.635 121.832 121.223 -0.043 0.000 2.201 744 L HA -0.115 4.226 4.340 0.003 0.000 0.212 744 L C 2.217 179.064 176.870 -0.037 0.000 1.105 744 L CA 0.880 55.695 54.840 -0.042 0.000 0.775 744 L CB -0.295 41.733 42.059 -0.052 0.000 0.913 744 L HN -0.037 nan 8.230 nan 0.000 0.440 745 E N 0.219 120.397 120.200 -0.036 0.000 2.118 745 E HA -0.231 4.121 4.350 0.003 0.000 0.195 745 E C 1.696 178.280 176.600 -0.026 0.000 0.992 745 E CA 1.191 57.573 56.400 -0.030 0.000 0.804 745 E CB 0.060 29.743 29.700 -0.027 0.000 0.741 745 E HN 0.531 nan 8.360 nan 0.000 0.458 746 E N 0.014 120.200 120.200 -0.024 0.000 2.474 746 E HA 0.015 4.367 4.350 0.003 0.000 0.194 746 E C 0.137 176.724 176.600 -0.022 0.000 1.041 746 E CA -0.134 56.254 56.400 -0.019 0.000 0.874 746 E CB 0.497 30.188 29.700 -0.015 0.000 0.914 746 E HN 0.152 nan 8.360 nan 0.000 0.498 747 I N 2.961 123.515 120.570 -0.028 0.000 2.588 747 I HA 0.087 4.259 4.170 0.003 0.000 0.283 747 I C -2.096 173.995 176.117 -0.043 0.000 1.119 747 I CA -2.743 58.536 61.300 -0.035 0.000 1.419 747 I CB -0.466 37.510 38.000 -0.041 0.000 1.394 747 I HN -0.276 nan 8.210 nan 0.000 0.562 748 P HA -0.012 nan 4.420 nan 0.000 0.263 748 P C 0.351 177.608 177.300 -0.070 0.000 1.175 748 P CA 0.157 63.225 63.100 -0.053 0.000 0.761 748 P CB 0.611 32.277 31.700 -0.057 0.000 0.794 749 D N 1.929 122.297 120.400 -0.054 0.000 2.123 749 D HA -0.176 4.466 4.640 0.003 0.000 0.196 749 D C 1.523 177.781 176.300 -0.070 0.000 0.992 749 D CA 1.753 55.721 54.000 -0.052 0.000 0.833 749 D CB -0.627 40.152 40.800 -0.034 0.000 0.954 749 D HN 0.619 nan 8.370 nan 0.000 0.455 750 N N 0.006 118.658 118.700 -0.079 0.000 2.223 750 N HA -0.125 4.617 4.740 0.003 0.000 0.185 750 N C 1.661 177.044 175.510 -0.212 0.000 1.016 750 N CA 0.971 53.964 53.050 -0.095 0.000 0.863 750 N CB -0.261 38.195 38.487 -0.053 0.000 0.983 750 N HN -0.019 nan 8.380 nan 0.000 0.429 751 V N 1.095 120.821 119.914 -0.313 0.000 2.270 751 V HA -0.175 3.946 4.120 0.003 0.000 0.245 751 V C 2.437 178.389 176.094 -0.237 0.000 1.043 751 V CA 1.099 63.103 62.300 -0.492 0.000 1.014 751 V CB -0.518 31.075 31.823 -0.384 0.000 0.645 751 V HN 0.357 nan 8.190 nan 0.000 0.447 752 I N 0.782 121.269 120.570 -0.138 0.000 2.194 752 I HA -0.268 3.904 4.170 0.003 0.000 0.246 752 I C 2.663 178.747 176.117 -0.055 0.000 1.093 752 I CA 2.158 63.413 61.300 -0.076 0.000 1.355 752 I CB -1.537 36.430 38.000 -0.055 0.000 1.046 752 I HN 0.338 nan 8.210 nan 0.000 0.413 753 A N 0.201 122.986 122.820 -0.060 0.000 1.969 753 A HA -0.182 4.140 4.320 0.003 0.000 0.218 753 A C 1.916 179.494 177.584 -0.011 0.000 1.169 753 A CA 1.689 53.709 52.037 -0.029 0.000 0.635 753 A CB -0.468 18.517 19.000 -0.024 0.000 0.810 753 A HN 0.340 nan 8.150 nan 0.000 0.445 754 D N -0.628 119.760 120.400 -0.019 0.000 2.277 754 D HA 0.124 4.766 4.640 0.003 0.000 0.208 754 D C 0.435 176.771 176.300 0.061 0.000 0.962 754 D CA 0.516 54.548 54.000 0.053 0.000 0.865 754 D CB 0.024 40.925 40.800 0.169 0.000 0.939 754 D HN 0.360 nan 8.370 nan 0.000 0.510 755 L N 0.737 121.977 121.223 0.027 0.000 2.325 755 L HA 0.291 4.633 4.340 0.003 0.000 0.278 755 L C -0.104 176.782 176.870 0.027 0.000 1.023 755 L CA -0.909 53.950 54.840 0.032 0.000 0.811 755 L CB 1.679 43.748 42.059 0.018 0.000 1.249 755 L HN -0.271 nan 8.230 nan 0.000 0.431 756 D N 3.716 124.131 120.400 0.027 0.000 2.411 756 D HA 0.353 4.995 4.640 0.003 0.000 0.225 756 D C -0.526 175.817 176.300 0.071 0.000 1.156 756 D CA -0.066 53.967 54.000 0.055 0.000 0.874 756 D CB 0.427 41.246 40.800 0.031 0.000 1.034 756 D HN 0.220 nan 8.370 nan 0.000 0.502 757 I N 3.848 124.495 120.570 0.128 0.000 2.321 757 I HA 0.239 4.411 4.170 0.003 0.000 0.291 757 I C 0.136 176.406 176.117 0.256 0.000 0.998 757 I CA -0.623 60.751 61.300 0.124 0.000 1.227 757 I CB 1.165 39.196 38.000 0.050 0.000 1.368 757 I HN 0.281 nan 8.210 nan 0.000 0.466 758 H N 6.706 125.779 119.070 0.004 0.000 2.762 758 H HA 0.297 4.854 4.556 0.003 0.000 0.310 758 H C -2.437 172.908 175.328 0.029 0.000 1.004 758 H CA -2.047 54.012 56.048 0.019 0.000 1.267 758 H CB 1.693 31.471 29.762 0.026 0.000 1.437 758 H HN 0.269 nan 8.280 nan 0.000 0.498 759 P HA -0.003 nan 4.420 nan 0.000 0.276 759 P C -0.557 176.883 177.300 0.232 0.000 1.235 759 P CA -0.339 62.823 63.100 0.103 0.000 0.772 759 P CB 1.059 32.710 31.700 -0.081 0.000 0.871 760 V N 0.966 121.015 119.914 0.224 0.000 2.680 760 V HA 0.476 4.598 4.120 0.003 0.000 0.309 760 V C 0.651 176.857 176.094 0.187 0.000 1.052 760 V CA -0.609 61.804 62.300 0.189 0.000 0.908 760 V CB 2.478 34.372 31.823 0.119 0.000 1.001 760 V HN 0.330 nan 8.190 nan 0.000 0.431 761 K N 1.942 122.393 120.400 0.085 0.000 2.276 761 K HA 0.379 4.701 4.320 0.003 0.000 0.198 761 K C 0.485 177.086 176.600 0.002 0.000 1.052 761 K CA 0.367 56.654 56.287 -0.001 0.000 0.984 761 K CB 0.350 32.746 32.500 -0.174 0.000 0.836 761 K HN 0.628 nan 8.250 nan 0.000 0.490 762 R N 0.187 120.690 120.500 0.005 0.000 2.725 762 R HA 0.205 4.547 4.340 0.003 0.000 0.277 762 R C 0.409 176.716 176.300 0.012 0.000 0.987 762 R CA -0.450 55.650 56.100 -0.001 0.000 0.901 762 R CB 1.443 31.732 30.300 -0.018 0.000 1.207 762 R HN -0.088 nan 8.270 nan 0.000 0.463 763 I N 2.759 123.334 120.570 0.009 0.000 2.335 763 I HA -0.279 3.893 4.170 0.003 0.000 0.251 763 I C 2.266 178.388 176.117 0.010 0.000 1.129 763 I CA 1.757 63.063 61.300 0.011 0.000 1.402 763 I CB -0.048 37.956 38.000 0.006 0.000 1.069 763 I HN 0.642 nan 8.210 nan 0.000 0.424 764 E N 0.301 120.504 120.200 0.005 0.000 2.118 764 E HA -0.281 4.071 4.350 0.003 0.000 0.195 764 E C 1.769 178.377 176.600 0.012 0.000 0.992 764 E CA 1.688 58.091 56.400 0.005 0.000 0.804 764 E CB -0.759 28.941 29.700 -0.000 0.000 0.741 764 E HN 0.645 nan 8.360 nan 0.000 0.458 765 E N 0.946 121.157 120.200 0.018 0.000 2.047 765 E HA -0.105 4.247 4.350 0.003 0.000 0.191 765 E C 2.403 179.029 176.600 0.043 0.000 0.987 765 E CA 1.324 57.745 56.400 0.034 0.000 0.799 765 E CB -0.060 29.666 29.700 0.043 0.000 0.752 765 E HN 0.083 nan 8.360 nan 0.000 0.449 766 V N 1.758 121.696 119.914 0.038 0.000 2.282 766 V HA -0.293 3.829 4.120 0.003 0.000 0.249 766 V C 2.327 178.433 176.094 0.021 0.000 1.057 766 V CA 1.666 63.986 62.300 0.033 0.000 1.032 766 V CB -0.527 31.311 31.823 0.026 0.000 0.645 766 V HN 0.278 nan 8.190 nan 0.000 0.447 767 L N -0.535 120.697 121.223 0.015 0.000 2.109 767 L HA -0.117 4.225 4.340 0.003 0.000 0.207 767 L C 2.601 179.476 176.870 0.009 0.000 1.086 767 L CA 1.736 56.580 54.840 0.006 0.000 0.760 767 L CB -0.947 41.112 42.059 0.000 0.000 0.910 767 L HN 0.361 nan 8.230 nan 0.000 0.437 768 T N 0.331 114.895 114.554 0.016 0.000 2.777 768 T HA -0.095 4.257 4.350 0.003 0.000 0.266 768 T C 1.953 176.669 174.700 0.027 0.000 1.040 768 T CA 1.120 63.231 62.100 0.020 0.000 1.141 768 T CB -0.149 68.733 68.868 0.024 0.000 0.868 768 T HN 0.193 nan 8.240 nan 0.000 0.444 769 L N 0.366 121.612 121.223 0.038 0.000 2.179 769 L HA 0.145 4.487 4.340 0.003 0.000 0.208 769 L C 2.815 179.687 176.870 0.004 0.000 1.096 769 L CA 0.881 55.744 54.840 0.038 0.000 0.779 769 L CB -0.426 41.676 42.059 0.071 0.000 0.922 769 L HN 0.233 nan 8.230 nan 0.000 0.443 770 A N -0.600 122.220 122.820 0.001 0.000 2.063 770 A HA 0.259 4.581 4.320 0.003 0.000 0.211 770 A C 1.050 178.628 177.584 -0.009 0.000 1.177 770 A CA 0.002 52.032 52.037 -0.010 0.000 0.759 770 A CB 0.051 19.046 19.000 -0.008 0.000 0.857 770 A HN 0.178 nan 8.150 nan 0.000 0.468 771 L N 0.023 121.244 121.223 -0.004 0.000 2.312 771 L HA 0.225 4.567 4.340 0.003 0.000 0.281 771 L C 1.509 178.376 176.870 -0.004 0.000 1.070 771 L CA -0.360 54.477 54.840 -0.006 0.000 0.805 771 L CB 1.358 43.413 42.059 -0.007 0.000 1.174 771 L HN 0.514 nan 8.230 nan 0.000 0.434 772 Q N 2.674 122.471 119.800 -0.005 0.000 2.084 772 Q HA -0.135 4.206 4.340 0.003 0.000 0.202 772 Q C 0.068 176.067 176.000 -0.002 0.000 0.978 772 Q CA 1.456 57.257 55.803 -0.004 0.000 0.844 772 Q CB 0.256 28.991 28.738 -0.005 0.000 0.898 772 Q HN 0.742 nan 8.270 nan 0.000 0.426 773 N N -0.437 118.262 118.700 -0.003 0.000 2.485 773 N HA 0.081 4.823 4.740 0.003 0.000 0.280 773 N C -0.123 175.386 175.510 -0.002 0.000 1.205 773 N CA -0.459 52.590 53.050 -0.002 0.000 0.959 773 N CB 0.835 39.320 38.487 -0.004 0.000 1.206 773 N HN 0.062 nan 8.380 nan 0.000 0.545 774 E N -0.034 120.165 120.200 -0.001 0.000 2.831 774 E HA -0.266 4.085 4.350 0.003 0.000 0.227 774 E C -1.410 175.190 176.600 -0.001 0.000 0.895 774 E CA 1.666 58.065 56.400 -0.000 0.000 1.313 774 E CB -2.012 27.687 29.700 -0.002 0.000 1.338 774 E HN 0.565 nan 8.360 nan 0.000 0.485 775 P HA 0.000 nan 4.420 nan 0.000 0.216 775 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 775 P CB 0.000 31.694 31.700 -0.011 0.000 0.726