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 1k7y_1_A DATA FIRST_RESID 651 DATA SEQUENCE QAEWRSWEVN KRLEYSLVKG ITEFIEQDTE EARQQATRPI EVIEGPLMDG DATA SEQUENCE MNVVGDLFGE GKMFLPQVVK SARVMKQAVA YLEPFIEASK EQGKTNGKMV DATA SEQUENCE IATVKGDVGD IGKNIVGVVL QCNNYEIVDL GVMVPAEKIL RTAKEVNADL DATA SEQUENCE IGLSGLITPS LDEMVNVAKE MERQGFTIPL LIGGATTSKA HTAVKIEQNY DATA SEQUENCE SGPTVYVQNA SRTVGVVAAL LSDTQRDDFV ARTRKEYETV RIQHGRKKPR DATA SEQUENCE TPPVTLEAAR DNDFAFDWQA YTPPVAHRLG VQEVEASIET LRNYIDWTPF DATA SEQUENCE FMTWSLAGKY PRILEDEVVG VEAQRLFKDA NDMLDKLSAE KTLNPRGVVG DATA SEQUENCE LFPANRVGDD IEIYRDETRT HVINVSHHLR QQTEKTGFAN YCLADFVAPK DATA SEQUENCE LSGKADYIGA FAVTGGLEED ALADAFEAQH DDYNKIMVKA LADRLAEAFA DATA SEQUENCE EYLHERVRKV YWGYAPNENL SNEELIRENY QGIRPAPGYP ACPEHTEKAT DATA SEQUENCE IWELLEVEKH TGMKLTESFA MWPGASVSGW YFSHPDSKYY AVAQIQRDQV DATA SEQUENCE EDYARRKGMS VTEVERWLAP NLGYDAD 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 651 Q HA 0.000 nan 4.340 nan 0.000 0.214 651 Q C 0.000 175.960 176.000 -0.067 0.000 1.003 651 Q CA 0.000 55.785 55.803 -0.029 0.000 1.022 651 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 652 A N 0.621 123.394 122.820 -0.080 0.000 3.367 652 A HA 0.346 4.665 4.320 -0.001 0.000 0.109 652 A C 0.509 178.001 177.584 -0.154 0.000 1.346 652 A CA 1.015 52.946 52.037 -0.177 0.000 1.555 652 A CB -0.280 18.541 19.000 -0.298 0.000 1.386 652 A HN 0.393 nan 8.150 nan 0.000 0.615 653 E N -1.321 118.761 120.200 -0.197 0.000 3.957 653 E HA -0.254 4.096 4.350 -0.001 0.000 0.188 653 E C 1.122 177.461 176.600 -0.436 0.000 1.164 653 E CA 3.416 59.722 56.400 -0.156 0.000 2.370 653 E CB -2.209 27.493 29.700 0.004 0.000 1.771 653 E HN 1.396 nan 8.360 nan 0.000 0.420 654 W N 1.854 122.709 121.300 -0.741 0.000 2.518 654 W HA 0.229 4.889 4.660 -0.001 0.000 0.273 654 W C 1.226 176.964 176.519 -1.301 0.000 1.247 654 W CA 0.974 57.353 57.345 -1.610 0.000 1.288 654 W CB -0.710 28.015 29.460 -1.225 0.000 1.107 654 W HN 0.076 nan 8.180 nan 0.000 0.586 655 R N 2.235 121.774 120.500 -1.602 0.000 2.526 655 R HA -0.036 4.303 4.340 -0.001 0.000 0.223 655 R C 0.975 176.769 176.300 -0.842 0.000 1.250 655 R CA 1.058 56.274 56.100 -1.474 0.000 1.227 655 R CB -0.932 28.559 30.300 -1.348 0.000 1.109 655 R HN 0.415 nan 8.270 nan 0.000 0.499 656 S N -2.607 112.636 115.700 -0.761 0.000 2.993 656 S HA 0.179 4.648 4.470 -0.001 0.000 0.257 656 S C 0.072 174.568 174.600 -0.173 0.000 0.997 656 S CA -0.926 57.035 58.200 -0.398 0.000 1.191 656 S CB 0.128 63.167 63.200 -0.267 0.000 1.143 656 S HN 0.103 nan 8.310 nan 0.000 0.655 657 W N 2.134 123.337 121.300 -0.163 0.000 2.382 657 W HA 0.549 5.208 4.660 -0.001 0.000 0.482 657 W C 0.530 176.992 176.519 -0.094 0.000 1.856 657 W CA -1.464 55.819 57.345 -0.104 0.000 2.018 657 W CB -0.699 28.713 29.460 -0.080 0.000 1.858 657 W HN 0.181 nan 8.180 nan 0.000 0.729 658 E N 0.729 121.063 120.200 0.223 0.000 2.414 658 E HA -0.012 4.337 4.350 -0.001 0.000 0.263 658 E C 0.992 177.648 176.600 0.093 0.000 1.000 658 E CA -0.122 56.340 56.400 0.104 0.000 0.914 658 E CB 1.454 31.199 29.700 0.076 0.000 0.948 658 E HN 0.214 nan 8.360 nan 0.000 0.444 659 V N 4.391 124.323 119.914 0.031 0.000 2.636 659 V HA -0.335 3.784 4.120 -0.001 0.000 0.258 659 V C 1.216 177.345 176.094 0.059 0.000 1.092 659 V CA 2.263 64.570 62.300 0.012 0.000 1.110 659 V CB -0.439 31.375 31.823 -0.015 0.000 0.685 659 V HN 0.636 nan 8.190 nan 0.000 0.481 660 N N -0.997 117.747 118.700 0.074 0.000 2.333 660 N HA -0.057 4.683 4.740 -0.001 0.000 0.178 660 N C 1.698 177.292 175.510 0.139 0.000 1.018 660 N CA 0.698 53.801 53.050 0.088 0.000 0.882 660 N CB -0.017 38.506 38.487 0.060 0.000 0.984 660 N HN 0.477 nan 8.380 nan 0.000 0.434 661 K N 0.823 121.328 120.400 0.174 0.000 2.288 661 K HA 0.006 4.325 4.320 -0.001 0.000 0.201 661 K C 1.870 178.733 176.600 0.438 0.000 1.048 661 K CA 0.623 57.054 56.287 0.241 0.000 0.956 661 K CB 0.159 32.776 32.500 0.195 0.000 0.746 661 K HN 0.074 nan 8.250 nan 0.000 0.461 662 R N 0.632 121.364 120.500 0.387 0.000 2.062 662 R HA 0.008 4.347 4.340 -0.001 0.000 0.229 662 R C 2.187 178.752 176.300 0.442 0.000 1.128 662 R CA 0.920 57.274 56.100 0.423 0.000 0.960 662 R CB -0.261 30.096 30.300 0.094 0.000 0.855 662 R HN 0.064 nan 8.270 nan 0.000 0.432 663 L N 0.481 121.864 121.223 0.268 0.000 1.961 663 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 663 L C 2.562 179.562 176.870 0.217 0.000 1.072 663 L CA 1.628 56.595 54.840 0.211 0.000 0.749 663 L CB -0.552 41.586 42.059 0.131 0.000 0.889 663 L HN 0.304 nan 8.230 nan 0.000 0.432 664 E N -0.841 119.478 120.200 0.198 0.000 2.187 664 E HA -0.315 4.035 4.350 -0.001 0.000 0.199 664 E C 2.033 178.765 176.600 0.221 0.000 1.004 664 E CA 1.777 58.280 56.400 0.171 0.000 0.813 664 E CB -0.123 29.666 29.700 0.148 0.000 0.736 664 E HN 0.514 nan 8.360 nan 0.000 0.468 665 Y N 0.770 121.190 120.300 0.199 0.000 2.153 665 Y HA -0.184 4.366 4.550 -0.001 0.000 0.289 665 Y C 2.735 178.714 175.900 0.133 0.000 1.119 665 Y CA 1.973 60.200 58.100 0.211 0.000 1.116 665 Y CB -0.468 38.245 38.460 0.420 0.000 1.004 665 Y HN 0.141 nan 8.280 nan 0.000 0.501 666 S N 1.063 116.840 115.700 0.130 0.000 2.420 666 S HA -0.219 4.250 4.470 -0.001 0.000 0.237 666 S C 1.970 176.532 174.600 -0.064 0.000 1.023 666 S CA 1.338 59.519 58.200 -0.031 0.000 0.991 666 S CB -0.950 62.420 63.200 0.284 0.000 0.792 666 S HN 0.528 nan 8.310 nan 0.000 0.488 667 L N 1.786 123.014 121.223 0.008 0.000 1.994 667 L HA -0.003 4.336 4.340 -0.001 0.000 0.208 667 L C 2.505 179.341 176.870 -0.056 0.000 1.071 667 L CA 1.721 56.559 54.840 -0.002 0.000 0.745 667 L CB -1.310 40.771 42.059 0.037 0.000 0.892 667 L HN 0.319 nan 8.230 nan 0.000 0.431 668 V N 0.404 120.271 119.914 -0.079 0.000 2.237 668 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 668 V C 2.577 178.571 176.094 -0.166 0.000 1.046 668 V CA 1.546 63.787 62.300 -0.098 0.000 1.007 668 V CB -0.625 31.155 31.823 -0.073 0.000 0.638 668 V HN 0.364 nan 8.190 nan 0.000 0.445 669 K N 0.323 120.536 120.400 -0.313 0.000 2.442 669 K HA -0.007 4.312 4.320 -0.001 0.000 0.198 669 K C 1.302 177.758 176.600 -0.241 0.000 1.044 669 K CA 0.887 56.970 56.287 -0.340 0.000 0.948 669 K CB -0.811 31.319 32.500 -0.616 0.000 0.762 669 K HN 0.688 nan 8.250 nan 0.000 0.472 670 G N 2.186 110.873 108.800 -0.189 0.000 2.385 670 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.294 670 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.294 670 G C -0.176 174.642 174.900 -0.138 0.000 1.070 670 G CA -0.033 44.982 45.100 -0.142 0.000 1.172 670 G HN 0.256 nan 8.290 nan 0.000 0.516 671 I N 0.515 121.020 120.570 -0.107 0.000 2.474 671 I HA 0.602 4.771 4.170 -0.001 0.000 0.294 671 I C 0.446 176.581 176.117 0.029 0.000 1.005 671 I CA -0.645 60.625 61.300 -0.051 0.000 1.113 671 I CB 2.338 40.301 38.000 -0.060 0.000 1.289 671 I HN 0.277 nan 8.210 nan 0.000 0.436 672 T N 0.742 115.306 114.554 0.018 0.000 3.428 672 T HA 0.451 4.801 4.350 -0.001 0.000 0.301 672 T C -0.119 174.559 174.700 -0.038 0.000 1.323 672 T CA -0.553 61.558 62.100 0.017 0.000 1.647 672 T CB 0.220 69.094 68.868 0.010 0.000 0.871 672 T HN 0.695 nan 8.240 nan 0.000 0.627 673 E N -0.161 119.984 120.200 -0.092 0.000 2.703 673 E HA 0.297 4.647 4.350 -0.001 0.000 0.214 673 E C -0.342 175.877 176.600 -0.636 0.000 0.944 673 E CA -0.105 56.086 56.400 -0.349 0.000 1.299 673 E CB 0.583 30.017 29.700 -0.444 0.000 1.189 673 E HN 0.508 nan 8.360 nan 0.000 0.597 674 F N -0.364 119.630 119.950 0.073 0.000 2.925 674 F HA 0.335 4.861 4.527 -0.001 0.000 0.355 674 F C 1.405 177.200 175.800 -0.007 0.000 1.073 674 F CA -0.511 57.499 58.000 0.018 0.000 1.127 674 F CB 0.348 39.358 39.000 0.017 0.000 1.123 674 F HN -0.052 nan 8.300 nan 0.000 0.551 675 I N 0.474 121.126 120.570 0.137 0.000 2.399 675 I HA -0.303 3.866 4.170 -0.001 0.000 0.254 675 I C 2.259 178.349 176.117 -0.044 0.000 1.146 675 I CA 1.761 63.103 61.300 0.070 0.000 1.412 675 I CB 0.096 38.131 38.000 0.057 0.000 1.076 675 I HN 0.292 nan 8.210 nan 0.000 0.432 676 E N 0.359 120.500 120.200 -0.098 0.000 2.021 676 E HA -0.295 4.054 4.350 -0.001 0.000 0.189 676 E C 2.185 178.559 176.600 -0.376 0.000 0.980 676 E CA 1.391 57.619 56.400 -0.287 0.000 0.803 676 E CB -0.106 29.477 29.700 -0.196 0.000 0.766 676 E HN 0.734 nan 8.360 nan 0.000 0.449 677 Q N 0.058 119.756 119.800 -0.169 0.000 2.230 677 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 677 Q C 1.242 177.183 176.000 -0.098 0.000 0.963 677 Q CA 1.567 57.296 55.803 -0.124 0.000 0.866 677 Q CB 0.023 28.742 28.738 -0.031 0.000 0.931 677 Q HN 0.133 nan 8.270 nan 0.000 0.452 678 D N 0.465 120.833 120.400 -0.054 0.000 2.144 678 D HA -0.108 4.532 4.640 -0.001 0.000 0.200 678 D C 1.755 178.033 176.300 -0.037 0.000 0.978 678 D CA 1.651 55.633 54.000 -0.030 0.000 0.833 678 D CB -0.034 40.789 40.800 0.037 0.000 0.961 678 D HN 0.322 nan 8.370 nan 0.000 0.470 679 T N -0.925 113.585 114.554 -0.074 0.000 3.014 679 T HA -0.077 4.273 4.350 -0.001 0.000 0.263 679 T C 1.599 176.272 174.700 -0.044 0.000 1.078 679 T CA 0.942 63.018 62.100 -0.039 0.000 1.135 679 T CB 0.040 68.896 68.868 -0.021 0.000 0.895 679 T HN -0.036 nan 8.240 nan 0.000 0.480 680 E N 1.828 121.943 120.200 -0.141 0.000 2.016 680 E HA -0.089 4.260 4.350 -0.001 0.000 0.190 680 E C 2.050 178.620 176.600 -0.050 0.000 0.985 680 E CA 1.852 58.221 56.400 -0.051 0.000 0.802 680 E CB -0.557 29.081 29.700 -0.105 0.000 0.762 680 E HN 0.651 nan 8.360 nan 0.000 0.448 681 E N -0.385 119.781 120.200 -0.057 0.000 2.160 681 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 681 E C 1.652 178.230 176.600 -0.038 0.000 0.991 681 E CA 1.164 57.536 56.400 -0.046 0.000 0.810 681 E CB -0.289 29.381 29.700 -0.051 0.000 0.742 681 E HN 0.329 nan 8.360 nan 0.000 0.466 682 A N 0.811 123.613 122.820 -0.029 0.000 2.206 682 A HA -0.056 4.263 4.320 -0.001 0.000 0.211 682 A C 2.030 179.601 177.584 -0.022 0.000 1.158 682 A CA 0.773 52.802 52.037 -0.014 0.000 0.761 682 A CB -0.306 18.698 19.000 0.006 0.000 0.801 682 A HN 0.197 nan 8.150 nan 0.000 0.473 683 R N -0.379 120.093 120.500 -0.047 0.000 2.064 683 R HA -0.051 4.288 4.340 -0.001 0.000 0.221 683 R C 2.092 178.337 176.300 -0.092 0.000 1.136 683 R CA 1.219 57.267 56.100 -0.087 0.000 0.980 683 R CB -0.297 29.894 30.300 -0.182 0.000 0.876 683 R HN 0.600 nan 8.270 nan 0.000 0.437 684 Q N 0.170 119.915 119.800 -0.091 0.000 2.181 684 Q HA -0.189 4.150 4.340 -0.001 0.000 0.205 684 Q C 1.758 177.735 176.000 -0.038 0.000 0.980 684 Q CA 1.481 57.244 55.803 -0.066 0.000 0.862 684 Q CB 0.039 28.746 28.738 -0.052 0.000 0.905 684 Q HN 0.479 nan 8.270 nan 0.000 0.429 685 Q N -0.435 119.346 119.800 -0.032 0.000 2.403 685 Q HA 0.193 4.532 4.340 -0.001 0.000 0.203 685 Q C -0.169 175.824 176.000 -0.013 0.000 0.932 685 Q CA -0.100 55.692 55.803 -0.019 0.000 0.945 685 Q CB 0.596 29.325 28.738 -0.015 0.000 1.045 685 Q HN 0.206 nan 8.270 nan 0.000 0.511 686 A N 0.103 122.913 122.820 -0.017 0.000 2.306 686 A HA 0.331 4.650 4.320 -0.001 0.000 0.330 686 A C 1.171 178.752 177.584 -0.006 0.000 1.146 686 A CA -0.281 51.751 52.037 -0.008 0.000 0.827 686 A CB 0.773 19.769 19.000 -0.006 0.000 1.178 686 A HN 0.257 nan 8.150 nan 0.000 0.490 687 T N -0.405 114.150 114.554 0.001 0.000 2.674 687 T HA -0.063 4.287 4.350 -0.001 0.000 0.265 687 T C 0.747 175.452 174.700 0.008 0.000 1.039 687 T CA 1.420 63.522 62.100 0.004 0.000 1.150 687 T CB -0.346 68.526 68.868 0.007 0.000 0.864 687 T HN 0.898 nan 8.240 nan 0.000 0.427 688 R N 0.543 121.050 120.500 0.011 0.000 2.771 688 R HA 0.530 4.870 4.340 -0.001 0.000 0.274 688 R C -2.829 173.485 176.300 0.023 0.000 0.987 688 R CA -2.268 53.845 56.100 0.021 0.000 0.908 688 R CB 0.920 31.234 30.300 0.024 0.000 1.213 688 R HN -0.141 nan 8.270 nan 0.000 0.468 689 P HA -0.240 nan 4.420 nan 0.000 0.214 689 P C 1.370 178.698 177.300 0.047 0.000 1.172 689 P CA 1.108 64.238 63.100 0.051 0.000 0.925 689 P CB 0.000 31.765 31.700 0.109 0.000 0.793 690 I N -0.078 120.519 120.570 0.046 0.000 2.381 690 I HA -0.280 3.890 4.170 -0.001 0.000 0.255 690 I C 1.859 177.994 176.117 0.030 0.000 1.140 690 I CA 1.661 62.983 61.300 0.037 0.000 1.404 690 I CB -0.750 37.268 38.000 0.029 0.000 1.075 690 I HN 0.016 nan 8.210 nan 0.000 0.433 691 E N -0.110 120.105 120.200 0.025 0.000 2.085 691 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 691 E C 2.296 178.910 176.600 0.024 0.000 0.994 691 E CA 2.115 58.527 56.400 0.020 0.000 0.801 691 E CB -0.524 29.186 29.700 0.015 0.000 0.743 691 E HN 0.619 nan 8.360 nan 0.000 0.453 692 V N -0.256 119.675 119.914 0.028 0.000 2.688 692 V HA -0.225 3.894 4.120 -0.001 0.000 0.256 692 V C 2.014 178.132 176.094 0.039 0.000 1.084 692 V CA 1.167 63.488 62.300 0.034 0.000 1.103 692 V CB -0.550 31.296 31.823 0.039 0.000 0.688 692 V HN 0.114 nan 8.190 nan 0.000 0.480 693 I N 1.306 121.898 120.570 0.038 0.000 2.130 693 I HA -0.104 4.066 4.170 -0.001 0.000 0.234 693 I C 2.651 178.785 176.117 0.029 0.000 1.067 693 I CA 1.829 63.151 61.300 0.036 0.000 1.339 693 I CB -1.294 36.725 38.000 0.032 0.000 1.073 693 I HN 0.360 nan 8.210 nan 0.000 0.405 694 E N 0.778 120.991 120.200 0.022 0.000 2.478 694 E HA -0.010 4.339 4.350 -0.001 0.000 0.198 694 E C 1.770 178.382 176.600 0.020 0.000 1.046 694 E CA 0.649 57.059 56.400 0.016 0.000 0.870 694 E CB -0.323 29.383 29.700 0.010 0.000 0.818 694 E HN 0.557 nan 8.360 nan 0.000 0.527 695 G N 1.656 110.471 108.800 0.025 0.000 2.620 695 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.200 695 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.200 695 G C -1.008 173.913 174.900 0.035 0.000 1.710 695 G CA 0.145 45.261 45.100 0.027 0.000 0.919 695 G HN 0.120 nan 8.290 nan 0.000 0.455 696 P HA -0.031 nan 4.420 nan 0.000 0.215 696 P C 2.054 179.391 177.300 0.062 0.000 1.157 696 P CA 0.918 64.054 63.100 0.060 0.000 0.863 696 P CB 0.009 31.751 31.700 0.070 0.000 0.787 697 L N -0.950 120.307 121.223 0.056 0.000 1.943 697 L HA -0.157 4.183 4.340 -0.001 0.000 0.215 697 L C 3.047 179.942 176.870 0.042 0.000 1.074 697 L CA 2.016 56.887 54.840 0.052 0.000 0.759 697 L CB -1.859 40.229 42.059 0.048 0.000 0.888 697 L HN -0.092 nan 8.230 nan 0.000 0.433 698 M N -0.225 119.396 119.600 0.034 0.000 2.088 698 M HA -0.285 4.195 4.480 -0.001 0.000 0.256 698 M C 1.839 178.156 176.300 0.028 0.000 1.071 698 M CA 1.968 57.284 55.300 0.027 0.000 1.097 698 M CB -0.635 31.977 32.600 0.020 0.000 1.315 698 M HN 0.268 nan 8.290 nan 0.000 0.406 699 D N -0.422 119.997 120.400 0.032 0.000 2.104 699 D HA -0.121 4.519 4.640 -0.001 0.000 0.194 699 D C 2.007 178.330 176.300 0.038 0.000 0.994 699 D CA 1.744 55.763 54.000 0.032 0.000 0.830 699 D CB -1.043 39.778 40.800 0.035 0.000 0.959 699 D HN 0.608 nan 8.370 nan 0.000 0.452 700 G N 0.726 109.554 108.800 0.048 0.000 2.446 700 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 700 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 700 G C 1.555 176.474 174.900 0.032 0.000 1.168 700 G CA 0.763 45.893 45.100 0.050 0.000 0.771 700 G HN 0.095 nan 8.290 nan 0.000 0.551 701 M N 1.347 120.964 119.600 0.027 0.000 2.108 701 M HA -0.069 4.411 4.480 -0.001 0.000 0.261 701 M C 2.324 178.633 176.300 0.015 0.000 1.066 701 M CA 0.980 56.289 55.300 0.016 0.000 1.107 701 M CB -1.183 31.427 32.600 0.018 0.000 1.356 701 M HN 0.225 nan 8.290 nan 0.000 0.406 702 N N 0.045 118.758 118.700 0.022 0.000 2.149 702 N HA -0.121 4.618 4.740 -0.001 0.000 0.188 702 N C 1.773 177.299 175.510 0.027 0.000 1.019 702 N CA 1.372 54.437 53.050 0.024 0.000 0.857 702 N CB -0.578 37.924 38.487 0.024 0.000 0.997 702 N HN 0.256 nan 8.380 nan 0.000 0.426 703 V N 1.098 121.027 119.914 0.026 0.000 2.490 703 V HA -0.155 3.965 4.120 -0.001 0.000 0.250 703 V C 2.499 178.608 176.094 0.026 0.000 1.061 703 V CA 1.096 63.412 62.300 0.027 0.000 1.064 703 V CB -0.538 31.303 31.823 0.030 0.000 0.670 703 V HN 0.061 nan 8.190 nan 0.000 0.461 704 V N 1.107 121.033 119.914 0.020 0.000 2.307 704 V HA -0.116 4.003 4.120 -0.001 0.000 0.245 704 V C 2.717 178.842 176.094 0.050 0.000 1.045 704 V CA 2.107 64.418 62.300 0.019 0.000 1.024 704 V CB -1.478 30.337 31.823 -0.013 0.000 0.651 704 V HN 0.576 nan 8.190 nan 0.000 0.449 705 G N -0.302 108.516 108.800 0.030 0.000 2.442 705 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.219 705 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.219 705 G C 1.238 176.218 174.900 0.133 0.000 1.141 705 G CA 1.169 46.309 45.100 0.065 0.000 0.763 705 G HN 0.486 nan 8.290 nan 0.000 0.554 706 D N 0.611 121.059 120.400 0.079 0.000 2.077 706 D HA -0.056 4.583 4.640 -0.001 0.000 0.193 706 D C 2.660 178.991 176.300 0.051 0.000 0.989 706 D CA 0.589 54.624 54.000 0.058 0.000 0.831 706 D CB -0.525 40.295 40.800 0.032 0.000 0.979 706 D HN 0.267 nan 8.370 nan 0.000 0.449 707 L N -0.031 121.215 121.223 0.039 0.000 2.261 707 L HA -0.151 4.188 4.340 -0.001 0.000 0.216 707 L C 2.262 179.122 176.870 -0.016 0.000 1.114 707 L CA 0.324 55.161 54.840 -0.005 0.000 0.777 707 L CB -0.296 41.753 42.059 -0.016 0.000 0.910 707 L HN -0.028 nan 8.230 nan 0.000 0.440 708 F N 0.878 120.766 119.950 -0.103 0.000 2.084 708 F HA -0.083 4.444 4.527 -0.001 0.000 0.296 708 F C 2.313 178.057 175.800 -0.093 0.000 1.111 708 F CA 1.562 59.493 58.000 -0.113 0.000 1.224 708 F CB -0.788 38.181 39.000 -0.051 0.000 0.991 708 F HN -0.023 nan 8.300 nan 0.000 0.471 709 G N -0.289 108.516 108.800 0.007 0.000 2.440 709 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.218 709 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.218 709 G C 1.465 176.293 174.900 -0.120 0.000 1.154 709 G CA 0.909 45.965 45.100 -0.073 0.000 0.767 709 G HN 0.493 nan 8.290 nan 0.000 0.552 710 E N -0.133 120.013 120.200 -0.090 0.000 2.265 710 E HA 0.138 4.487 4.350 -0.001 0.000 0.196 710 E C 1.836 178.357 176.600 -0.132 0.000 0.996 710 E CA 0.405 56.752 56.400 -0.087 0.000 0.832 710 E CB -0.118 29.544 29.700 -0.062 0.000 0.756 710 E HN 0.514 nan 8.360 nan 0.000 0.491 711 G N 0.946 109.608 108.800 -0.230 0.000 2.138 711 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.193 711 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.193 711 G C 0.765 175.416 174.900 -0.415 0.000 0.998 711 G CA 0.318 45.239 45.100 -0.298 0.000 0.668 711 G HN 0.137 nan 8.290 nan 0.000 0.516 712 K N -0.858 119.323 120.400 -0.366 0.000 2.098 712 K HA 0.288 4.607 4.320 -0.001 0.000 0.203 712 K C 1.368 177.634 176.600 -0.557 0.000 1.051 712 K CA 0.632 56.723 56.287 -0.327 0.000 0.957 712 K CB 0.040 32.450 32.500 -0.150 0.000 0.738 712 K HN 0.440 nan 8.250 nan 0.000 0.447 713 M N 0.395 119.680 119.600 -0.525 0.000 2.537 713 M HA 0.311 4.791 4.480 -0.001 0.000 0.324 713 M C -0.750 175.202 176.300 -0.580 0.000 1.187 713 M CA -0.582 54.483 55.300 -0.390 0.000 0.993 713 M CB 1.246 33.833 32.600 -0.023 0.000 1.666 713 M HN -0.195 nan 8.290 nan 0.000 0.461 714 F N -0.136 119.949 119.950 0.225 0.000 2.712 714 F HA 0.377 4.903 4.527 -0.001 0.000 0.367 714 F C 0.791 176.827 175.800 0.394 0.000 1.132 714 F CA -0.898 57.272 58.000 0.282 0.000 1.066 714 F CB 0.314 39.408 39.000 0.157 0.000 1.416 714 F HN 0.343 nan 8.300 nan 0.000 0.515 715 L N 1.917 123.521 121.223 0.635 0.000 1.971 715 L HA -0.122 4.217 4.340 -0.001 0.000 0.215 715 L C -0.788 176.338 176.870 0.427 0.000 1.072 715 L CA 2.753 57.881 54.840 0.480 0.000 0.758 715 L CB -1.958 40.380 42.059 0.467 0.000 0.889 715 L HN 0.345 nan 8.230 nan 0.000 0.433 716 P HA -0.238 nan 4.420 nan 0.000 0.219 716 P C 1.610 179.035 177.300 0.208 0.000 1.158 716 P CA 1.892 65.152 63.100 0.267 0.000 0.895 716 P CB 0.009 31.742 31.700 0.055 0.000 0.792 717 Q N -1.106 118.795 119.800 0.169 0.000 2.020 717 Q HA -0.086 4.253 4.340 -0.001 0.000 0.198 717 Q C 2.179 178.215 176.000 0.058 0.000 0.974 717 Q CA 1.228 57.069 55.803 0.064 0.000 0.829 717 Q CB -0.983 27.800 28.738 0.075 0.000 0.894 717 Q HN 0.048 nan 8.270 nan 0.000 0.433 718 V N 0.691 120.662 119.914 0.096 0.000 2.250 718 V HA -0.282 3.837 4.120 -0.001 0.000 0.253 718 V C 2.158 178.280 176.094 0.046 0.000 1.065 718 V CA 1.965 64.276 62.300 0.018 0.000 1.039 718 V CB -0.703 31.067 31.823 -0.088 0.000 0.647 718 V HN 0.304 nan 8.190 nan 0.000 0.446 719 V N -0.870 119.129 119.914 0.142 0.000 2.913 719 V HA -0.159 3.961 4.120 -0.001 0.000 0.260 719 V C 2.309 178.502 176.094 0.165 0.000 1.098 719 V CA 2.052 64.468 62.300 0.194 0.000 1.121 719 V CB -0.401 31.634 31.823 0.355 0.000 0.714 719 V HN 0.535 nan 8.190 nan 0.000 0.487 720 K N -0.946 119.488 120.400 0.058 0.000 2.305 720 K HA 0.014 4.334 4.320 -0.001 0.000 0.199 720 K C 2.179 178.728 176.600 -0.084 0.000 1.047 720 K CA 1.048 57.250 56.287 -0.141 0.000 0.976 720 K CB 0.102 32.384 32.500 -0.362 0.000 0.765 720 K HN 0.470 nan 8.250 nan 0.000 0.474 721 S N 0.232 115.911 115.700 -0.035 0.000 2.439 721 S HA 0.023 4.492 4.470 -0.001 0.000 0.224 721 S C 1.826 176.428 174.600 0.004 0.000 1.029 721 S CA 0.692 58.875 58.200 -0.028 0.000 0.946 721 S CB 0.227 63.411 63.200 -0.026 0.000 0.797 721 S HN 0.395 nan 8.310 nan 0.000 0.504 722 A N 2.060 124.895 122.820 0.025 0.000 1.978 722 A HA -0.140 4.179 4.320 -0.001 0.000 0.220 722 A C 2.001 179.621 177.584 0.061 0.000 1.170 722 A CA 1.614 53.678 52.037 0.045 0.000 0.636 722 A CB -0.519 18.518 19.000 0.062 0.000 0.810 722 A HN 0.456 nan 8.150 nan 0.000 0.448 723 R N -0.356 120.180 120.500 0.060 0.000 2.096 723 R HA -0.093 4.247 4.340 -0.001 0.000 0.235 723 R C 1.812 178.149 176.300 0.062 0.000 1.127 723 R CA 1.782 57.927 56.100 0.077 0.000 0.968 723 R CB -0.377 29.958 30.300 0.058 0.000 0.861 723 R HN 0.313 nan 8.270 nan 0.000 0.440 724 V N 1.430 121.365 119.914 0.035 0.000 2.244 724 V HA -0.298 3.822 4.120 -0.001 0.000 0.244 724 V C 2.520 178.640 176.094 0.043 0.000 1.042 724 V CA 2.120 64.443 62.300 0.037 0.000 1.006 724 V CB -0.637 31.200 31.823 0.023 0.000 0.641 724 V HN 0.460 nan 8.190 nan 0.000 0.446 725 M N -0.096 119.527 119.600 0.039 0.000 2.113 725 M HA -0.337 4.142 4.480 -0.001 0.000 0.255 725 M C 2.316 178.638 176.300 0.036 0.000 1.073 725 M CA 2.275 57.599 55.300 0.040 0.000 1.091 725 M CB -0.302 32.320 32.600 0.037 0.000 1.309 725 M HN 0.282 nan 8.290 nan 0.000 0.407 726 K N -0.412 120.012 120.400 0.039 0.000 2.007 726 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 726 K C 1.962 178.535 176.600 -0.046 0.000 1.047 726 K CA 1.659 57.953 56.287 0.012 0.000 0.937 726 K CB -0.365 32.177 32.500 0.070 0.000 0.718 726 K HN 0.566 nan 8.250 nan 0.000 0.438 727 Q N 0.172 119.982 119.800 0.016 0.000 2.297 727 Q HA -0.155 4.185 4.340 -0.001 0.000 0.208 727 Q C 1.970 177.989 176.000 0.032 0.000 0.981 727 Q CA 1.183 56.999 55.803 0.022 0.000 0.876 727 Q CB -0.093 28.696 28.738 0.085 0.000 0.921 727 Q HN 0.329 nan 8.270 nan 0.000 0.446 728 A N 0.087 122.932 122.820 0.041 0.000 1.840 728 A HA -0.110 4.209 4.320 -0.001 0.000 0.214 728 A C 2.277 179.925 177.584 0.107 0.000 1.198 728 A CA 1.151 53.233 52.037 0.075 0.000 0.608 728 A CB -0.727 18.312 19.000 0.064 0.000 0.839 728 A HN 0.190 nan 8.150 nan 0.000 0.443 729 V N 0.469 120.415 119.914 0.054 0.000 2.282 729 V HA -0.326 3.793 4.120 -0.001 0.000 0.249 729 V C 3.007 179.121 176.094 0.032 0.000 1.057 729 V CA 2.090 64.418 62.300 0.047 0.000 1.032 729 V CB -1.562 30.268 31.823 0.011 0.000 0.645 729 V HN 0.617 nan 8.190 nan 0.000 0.447 730 A N -1.347 121.431 122.820 -0.071 0.000 2.093 730 A HA -0.308 4.012 4.320 -0.001 0.000 0.222 730 A C 2.113 179.737 177.584 0.067 0.000 1.162 730 A CA 2.402 54.364 52.037 -0.124 0.000 0.655 730 A CB -0.740 18.018 19.000 -0.403 0.000 0.805 730 A HN 0.729 nan 8.150 nan 0.000 0.461 731 Y N -0.278 120.038 120.300 0.026 0.000 2.397 731 Y HA 0.200 4.750 4.550 -0.001 0.000 0.292 731 Y C 1.570 177.594 175.900 0.208 0.000 1.115 731 Y CA 0.973 59.139 58.100 0.111 0.000 1.208 731 Y CB 0.040 38.564 38.460 0.107 0.000 1.046 731 Y HN 0.187 nan 8.280 nan 0.000 0.552 732 L N 0.171 121.525 121.223 0.218 0.000 2.599 732 L HA 0.008 4.347 4.340 -0.001 0.000 0.230 732 L C 1.732 178.667 176.870 0.110 0.000 1.141 732 L CA 0.315 55.288 54.840 0.221 0.000 0.877 732 L CB -0.432 41.737 42.059 0.183 0.000 1.009 732 L HN 0.249 nan 8.230 nan 0.000 0.447 733 E N 1.465 121.676 120.200 0.017 0.000 2.013 733 E HA -0.218 4.131 4.350 -0.001 0.000 0.202 733 E C -0.495 176.051 176.600 -0.090 0.000 1.018 733 E CA 1.688 58.069 56.400 -0.031 0.000 0.834 733 E CB -1.140 28.533 29.700 -0.044 0.000 0.770 733 E HN 0.424 nan 8.360 nan 0.000 0.459 734 P HA -0.172 nan 4.420 nan 0.000 0.215 734 P C 1.297 178.419 177.300 -0.297 0.000 1.157 734 P CA 1.529 64.427 63.100 -0.337 0.000 0.868 734 P CB -0.203 31.156 31.700 -0.568 0.000 0.788 735 F N -0.009 119.890 119.950 -0.086 0.000 2.134 735 F HA -0.102 4.425 4.527 -0.001 0.000 0.299 735 F C 2.670 178.453 175.800 -0.028 0.000 1.097 735 F CA 1.081 59.047 58.000 -0.056 0.000 1.264 735 F CB -1.470 37.493 39.000 -0.062 0.000 1.001 735 F HN -0.202 nan 8.300 nan 0.000 0.479 736 I N -0.466 120.193 120.570 0.148 0.000 2.676 736 I HA -0.181 3.988 4.170 -0.001 0.000 0.259 736 I C 2.393 178.535 176.117 0.042 0.000 1.194 736 I CA 1.061 62.413 61.300 0.087 0.000 1.473 736 I CB -0.319 37.724 38.000 0.073 0.000 1.096 736 I HN 0.261 nan 8.210 nan 0.000 0.443 737 E N 1.644 121.851 120.200 0.011 0.000 2.042 737 E HA -0.099 4.250 4.350 -0.001 0.000 0.189 737 E C 1.988 178.582 176.600 -0.009 0.000 0.974 737 E CA 0.837 57.232 56.400 -0.008 0.000 0.806 737 E CB 0.025 29.704 29.700 -0.034 0.000 0.769 737 E HN 0.367 nan 8.360 nan 0.000 0.451 738 A N 0.987 123.794 122.820 -0.021 0.000 2.250 738 A HA 0.062 4.381 4.320 -0.001 0.000 0.208 738 A C 0.875 178.469 177.584 0.016 0.000 1.254 738 A CA 0.397 52.426 52.037 -0.014 0.000 0.858 738 A CB -0.342 18.637 19.000 -0.036 0.000 0.820 738 A HN 0.154 nan 8.150 nan 0.000 0.484 739 S N -0.752 114.963 115.700 0.026 0.000 2.747 739 S HA 0.468 4.937 4.470 -0.001 0.000 0.300 739 S C 1.194 175.807 174.600 0.022 0.000 1.121 739 S CA -0.746 57.474 58.200 0.034 0.000 0.995 739 S CB 0.639 63.868 63.200 0.048 0.000 1.113 739 S HN 0.425 nan 8.310 nan 0.000 0.547 740 K N 1.270 121.683 120.400 0.022 0.000 2.174 740 K HA 0.169 4.488 4.320 -0.001 0.000 0.186 740 K C 0.343 176.951 176.600 0.014 0.000 1.082 740 K CA 0.082 56.378 56.287 0.016 0.000 1.067 740 K CB -1.241 31.268 32.500 0.015 0.000 1.449 740 K HN 0.588 nan 8.250 nan 0.000 0.474 741 E N 2.105 122.313 120.200 0.013 0.000 2.415 741 E HA -0.062 4.287 4.350 -0.001 0.000 0.260 741 E C -0.218 176.391 176.600 0.014 0.000 1.016 741 E CA 0.396 56.803 56.400 0.011 0.000 0.924 741 E CB 0.396 30.101 29.700 0.009 0.000 0.961 741 E HN 0.228 nan 8.360 nan 0.000 0.459 742 Q N 2.712 122.520 119.800 0.013 0.000 2.296 742 Q HA 0.270 4.609 4.340 -0.001 0.000 0.273 742 Q C 0.568 176.577 176.000 0.014 0.000 0.900 742 Q CA 0.045 55.857 55.803 0.016 0.000 0.993 742 Q CB 0.354 29.101 28.738 0.016 0.000 1.132 742 Q HN 0.817 nan 8.270 nan 0.000 0.439 743 G N 2.135 110.942 108.800 0.011 0.000 2.819 743 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.682 743 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.682 743 G C -0.578 174.321 174.900 -0.001 0.000 1.481 743 G CA -0.362 44.742 45.100 0.006 0.000 0.904 743 G HN 0.391 nan 8.290 nan 0.000 0.563 744 K N -1.270 119.124 120.400 -0.010 0.000 2.313 744 K HA 0.925 5.245 4.320 -0.001 0.000 0.235 744 K C -0.241 176.337 176.600 -0.038 0.000 1.035 744 K CA -0.721 55.554 56.287 -0.020 0.000 0.868 744 K CB 1.962 34.448 32.500 -0.023 0.000 1.232 744 K HN 0.661 nan 8.250 nan 0.000 0.459 745 T N 0.167 114.687 114.554 -0.058 0.000 2.901 745 T HA 0.202 4.552 4.350 -0.001 0.000 0.293 745 T C 0.020 174.610 174.700 -0.184 0.000 1.084 745 T CA -0.865 61.171 62.100 -0.107 0.000 1.008 745 T CB 1.438 70.263 68.868 -0.072 0.000 1.170 745 T HN 0.635 nan 8.240 nan 0.000 0.509 746 N N 0.428 118.900 118.700 -0.381 0.000 2.521 746 N HA 0.378 5.117 4.740 -0.001 0.000 0.188 746 N C 0.554 175.812 175.510 -0.420 0.000 1.146 746 N CA 0.670 53.396 53.050 -0.540 0.000 0.893 746 N CB 0.239 38.077 38.487 -1.082 0.000 0.975 746 N HN 0.951 nan 8.380 nan 0.000 0.451 747 G N -0.457 108.207 108.800 -0.227 0.000 2.333 747 G HA2 0.052 4.012 3.960 -0.001 0.000 0.330 747 G HA3 0.052 4.012 3.960 -0.001 0.000 0.330 747 G C -1.795 173.183 174.900 0.129 0.000 1.465 747 G CA -1.044 44.073 45.100 0.028 0.000 0.996 747 G HN 0.108 nan 8.290 nan 0.000 0.655 748 K N 0.103 120.582 120.400 0.131 0.000 2.292 748 K HA 0.785 5.104 4.320 -0.001 0.000 0.257 748 K C -0.503 176.171 176.600 0.124 0.000 0.940 748 K CA -0.939 55.421 56.287 0.121 0.000 0.811 748 K CB 1.635 34.182 32.500 0.079 0.000 1.120 748 K HN 0.754 nan 8.250 nan 0.000 0.428 749 M N 4.713 124.379 119.600 0.111 0.000 2.393 749 M HA 0.314 4.793 4.480 -0.001 0.000 0.299 749 M C -1.765 174.568 176.300 0.054 0.000 1.103 749 M CA -0.881 54.467 55.300 0.078 0.000 0.910 749 M CB 2.090 34.726 32.600 0.060 0.000 1.659 749 M HN 0.387 nan 8.290 nan 0.000 0.445 750 V N 5.977 125.916 119.914 0.042 0.000 2.350 750 V HA 0.444 4.564 4.120 -0.001 0.000 0.276 750 V C -0.177 175.922 176.094 0.008 0.000 1.028 750 V CA -0.505 61.811 62.300 0.027 0.000 0.860 750 V CB 1.214 33.052 31.823 0.025 0.000 0.990 750 V HN 0.669 nan 8.190 nan 0.000 0.453 751 I N 4.282 124.856 120.570 0.006 0.000 2.441 751 I HA 0.853 5.023 4.170 -0.001 0.000 0.295 751 I C 0.028 176.140 176.117 -0.008 0.000 0.994 751 I CA -0.222 61.075 61.300 -0.005 0.000 1.144 751 I CB 1.890 39.887 38.000 -0.004 0.000 1.314 751 I HN 0.723 nan 8.210 nan 0.000 0.445 752 A N 4.287 127.097 122.820 -0.016 0.000 2.566 752 A HA 0.575 4.895 4.320 -0.001 0.000 0.297 752 A C -0.683 176.888 177.584 -0.021 0.000 1.059 752 A CA -0.474 51.552 52.037 -0.018 0.000 0.691 752 A CB 1.253 20.238 19.000 -0.024 0.000 1.282 752 A HN 0.563 nan 8.150 nan 0.000 0.401 753 T N 1.941 116.485 114.554 -0.017 0.000 2.761 753 T HA 0.363 4.713 4.350 -0.001 0.000 0.296 753 T C 0.804 175.488 174.700 -0.026 0.000 0.934 753 T CA 0.172 62.261 62.100 -0.019 0.000 1.091 753 T CB 0.553 69.414 68.868 -0.012 0.000 0.896 753 T HN 0.742 nan 8.240 nan 0.000 0.515 754 V N 3.685 123.579 119.914 -0.033 0.000 3.702 754 V HA -0.015 4.104 4.120 -0.001 0.000 0.300 754 V C 0.993 177.061 176.094 -0.044 0.000 1.142 754 V CA 0.160 62.434 62.300 -0.043 0.000 1.252 754 V CB 0.418 32.212 31.823 -0.048 0.000 1.086 754 V HN 0.840 nan 8.190 nan 0.000 0.496 755 K N 1.879 122.247 120.400 -0.053 0.000 2.401 755 K HA 0.354 4.674 4.320 -0.001 0.000 0.278 755 K C 0.935 177.504 176.600 -0.053 0.000 1.018 755 K CA 0.704 56.959 56.287 -0.054 0.000 0.981 755 K CB 0.167 32.630 32.500 -0.062 0.000 0.933 755 K HN 1.147 nan 8.250 nan 0.000 0.477 756 G N 2.448 111.220 108.800 -0.047 0.000 2.179 756 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.260 756 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.260 756 G C -0.274 174.611 174.900 -0.026 0.000 0.977 756 G CA 0.418 45.494 45.100 -0.040 0.000 0.641 756 G HN 0.744 nan 8.290 nan 0.000 0.533 757 D N -0.914 119.471 120.400 -0.025 0.000 2.252 757 D HA 0.634 5.273 4.640 -0.001 0.000 0.245 757 D C 0.598 176.898 176.300 0.000 0.000 1.009 757 D CA -0.156 53.834 54.000 -0.016 0.000 0.870 757 D CB 1.924 42.709 40.800 -0.025 0.000 1.251 757 D HN 0.225 nan 8.370 nan 0.000 0.460 758 V N 2.015 121.936 119.914 0.013 0.000 3.346 758 V HA 0.390 4.510 4.120 -0.001 0.000 0.309 758 V C 0.692 176.800 176.094 0.023 0.000 1.457 758 V CA 0.288 62.608 62.300 0.034 0.000 1.069 758 V CB 0.308 32.171 31.823 0.066 0.000 0.944 758 V HN 0.555 nan 8.190 nan 0.000 0.449 759 G N 0.829 109.633 108.800 0.006 0.000 2.442 759 G HA2 0.416 4.375 3.960 -0.001 0.000 0.249 759 G HA3 0.416 4.375 3.960 -0.001 0.000 0.249 759 G C 0.333 175.227 174.900 -0.009 0.000 1.263 759 G CA 0.598 45.696 45.100 -0.005 0.000 0.846 759 G HN 0.507 nan 8.290 nan 0.000 0.555 760 D N 0.773 121.162 120.400 -0.019 0.000 2.153 760 D HA -0.088 4.551 4.640 -0.001 0.000 0.388 760 D C 1.749 178.021 176.300 -0.047 0.000 1.014 760 D CA -0.301 53.685 54.000 -0.023 0.000 0.906 760 D CB -0.425 40.372 40.800 -0.005 0.000 1.552 760 D HN 0.405 nan 8.370 nan 0.000 0.522 761 I N 1.933 122.462 120.570 -0.068 0.000 2.113 761 I HA -0.232 3.937 4.170 -0.001 0.000 0.242 761 I C 2.566 178.605 176.117 -0.130 0.000 1.064 761 I CA 2.250 63.477 61.300 -0.122 0.000 1.320 761 I CB -0.394 37.508 38.000 -0.162 0.000 1.028 761 I HN 0.226 nan 8.210 nan 0.000 0.406 762 G N 0.418 109.157 108.800 -0.101 0.000 2.476 762 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.218 762 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.218 762 G C 1.679 176.539 174.900 -0.067 0.000 1.164 762 G CA 1.109 46.158 45.100 -0.085 0.000 0.768 762 G HN 0.376 nan 8.290 nan 0.000 0.560 763 K N 0.580 120.949 120.400 -0.051 0.000 2.147 763 K HA -0.054 4.265 4.320 -0.001 0.000 0.205 763 K C 2.182 178.758 176.600 -0.040 0.000 1.049 763 K CA 1.341 57.605 56.287 -0.038 0.000 0.936 763 K CB -0.337 32.148 32.500 -0.026 0.000 0.722 763 K HN 0.458 nan 8.250 nan 0.000 0.446 764 N N 0.235 118.904 118.700 -0.052 0.000 2.080 764 N HA -0.131 4.608 4.740 -0.001 0.000 0.189 764 N C 1.826 177.301 175.510 -0.057 0.000 1.036 764 N CA 1.198 54.219 53.050 -0.048 0.000 0.846 764 N CB -0.111 38.338 38.487 -0.064 0.000 1.015 764 N HN 0.037 nan 8.380 nan 0.000 0.423 765 I N 0.951 121.464 120.570 -0.094 0.000 2.118 765 I HA -0.272 3.897 4.170 -0.001 0.000 0.241 765 I C 2.151 178.240 176.117 -0.047 0.000 1.070 765 I CA 1.118 62.368 61.300 -0.084 0.000 1.327 765 I CB -0.451 37.481 38.000 -0.114 0.000 1.034 765 I HN -0.026 nan 8.210 nan 0.000 0.405 766 V N 0.744 120.630 119.914 -0.047 0.000 2.392 766 V HA -0.268 3.851 4.120 -0.001 0.000 0.249 766 V C 2.498 178.566 176.094 -0.043 0.000 1.059 766 V CA 2.065 64.338 62.300 -0.045 0.000 1.051 766 V CB -1.828 29.968 31.823 -0.046 0.000 0.658 766 V HN 0.613 nan 8.190 nan 0.000 0.455 767 G N 0.313 109.095 108.800 -0.031 0.000 2.453 767 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.215 767 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.215 767 G C 1.644 176.543 174.900 -0.002 0.000 1.201 767 G CA 1.308 46.400 45.100 -0.014 0.000 0.784 767 G HN 0.398 nan 8.290 nan 0.000 0.545 768 V N 0.722 120.638 119.914 0.004 0.000 2.332 768 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 768 V C 3.021 179.115 176.094 -0.000 0.000 1.055 768 V CA 1.566 63.877 62.300 0.019 0.000 1.038 768 V CB -0.838 31.005 31.823 0.033 0.000 0.651 768 V HN 0.220 nan 8.190 nan 0.000 0.450 769 V N -0.192 119.704 119.914 -0.029 0.000 2.287 769 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 769 V C 2.342 178.402 176.094 -0.056 0.000 1.053 769 V CA 2.078 64.338 62.300 -0.068 0.000 1.027 769 V CB -0.554 31.219 31.823 -0.083 0.000 0.646 769 V HN 0.458 nan 8.190 nan 0.000 0.447 770 L N -0.547 120.641 121.223 -0.059 0.000 2.275 770 L HA -0.194 4.146 4.340 -0.001 0.000 0.215 770 L C 2.584 179.495 176.870 0.068 0.000 1.119 770 L CA 1.294 56.083 54.840 -0.085 0.000 0.790 770 L CB -0.426 41.533 42.059 -0.166 0.000 0.919 770 L HN 0.446 nan 8.230 nan 0.000 0.443 771 Q N -1.422 118.417 119.800 0.066 0.000 2.245 771 Q HA -0.095 4.244 4.340 -0.001 0.000 0.201 771 Q C 2.078 178.132 176.000 0.089 0.000 0.955 771 Q CA 0.943 56.806 55.803 0.101 0.000 0.870 771 Q CB -0.022 28.761 28.738 0.074 0.000 0.945 771 Q HN 0.508 nan 8.270 nan 0.000 0.461 772 C N 1.674 121.004 119.300 0.050 0.000 2.546 772 C HA 0.080 4.539 4.460 -0.001 0.000 0.275 772 C C 0.973 175.993 174.990 0.050 0.000 1.393 772 C CA -0.010 59.024 59.018 0.026 0.000 1.703 772 C CB -1.078 26.644 27.740 -0.030 0.000 1.710 772 C HN 0.396 nan 8.230 nan 0.000 0.581 773 N N 1.329 120.107 118.700 0.130 0.000 2.365 773 N HA 0.037 4.777 4.740 -0.001 0.000 0.257 773 N C -0.175 175.481 175.510 0.244 0.000 1.287 773 N CA 0.088 53.264 53.050 0.210 0.000 0.882 773 N CB -0.124 38.531 38.487 0.281 0.000 1.250 773 N HN 0.420 nan 8.380 nan 0.000 0.507 774 N N 0.969 119.744 118.700 0.125 0.000 2.667 774 N HA -0.254 4.485 4.740 -0.001 0.000 0.263 774 N C -1.761 173.693 175.510 -0.093 0.000 1.038 774 N CA 0.865 53.922 53.050 0.012 0.000 0.749 774 N CB -1.471 36.979 38.487 -0.062 0.000 0.892 774 N HN 0.294 nan 8.380 nan 0.000 0.546 775 Y N -0.399 119.911 120.300 0.018 0.000 2.512 775 Y HA 0.447 4.997 4.550 -0.001 0.000 0.348 775 Y C 0.467 176.382 175.900 0.024 0.000 0.990 775 Y CA -0.893 57.220 58.100 0.022 0.000 1.033 775 Y CB 1.489 39.961 38.460 0.021 0.000 1.259 775 Y HN 0.071 nan 8.280 nan 0.000 0.461 776 E N 3.304 123.610 120.200 0.177 0.000 2.229 776 E HA 0.334 4.683 4.350 -0.001 0.000 0.283 776 E C -1.186 175.485 176.600 0.118 0.000 1.030 776 E CA -0.191 56.278 56.400 0.115 0.000 0.836 776 E CB 0.962 30.709 29.700 0.079 0.000 1.068 776 E HN 0.389 nan 8.360 nan 0.000 0.401 777 I N 4.271 124.895 120.570 0.090 0.000 2.439 777 I HA 0.134 4.304 4.170 -0.001 0.000 0.285 777 I C -0.212 175.939 176.117 0.056 0.000 1.021 777 I CA -0.727 60.614 61.300 0.069 0.000 1.091 777 I CB 1.524 39.558 38.000 0.057 0.000 1.242 777 I HN 0.166 nan 8.210 nan 0.000 0.439 778 V N 6.610 126.553 119.914 0.048 0.000 2.294 778 V HA 0.367 4.487 4.120 -0.001 0.000 0.272 778 V C -0.268 175.844 176.094 0.030 0.000 1.027 778 V CA -0.296 62.028 62.300 0.041 0.000 0.823 778 V CB 1.142 32.989 31.823 0.040 0.000 1.030 778 V HN 0.667 nan 8.190 nan 0.000 0.457 779 D N 5.075 125.493 120.400 0.030 0.000 2.317 779 D HA 0.156 4.796 4.640 -0.001 0.000 0.252 779 D C 0.512 176.822 176.300 0.017 0.000 1.174 779 D CA -0.213 53.799 54.000 0.021 0.000 0.866 779 D CB 1.880 42.694 40.800 0.023 0.000 1.127 779 D HN 0.508 nan 8.370 nan 0.000 0.467 780 L N 3.477 124.705 121.223 0.009 0.000 2.611 780 L HA 0.248 4.588 4.340 -0.001 0.000 0.229 780 L C 1.524 178.396 176.870 0.003 0.000 1.137 780 L CA 0.667 55.510 54.840 0.005 0.000 0.901 780 L CB -0.676 41.381 42.059 -0.004 0.000 1.098 780 L HN 0.808 nan 8.230 nan 0.000 0.456 781 G N -0.496 108.309 108.800 0.007 0.000 2.512 781 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.240 781 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.240 781 G C -0.171 174.732 174.900 0.005 0.000 1.246 781 G CA -0.201 44.905 45.100 0.011 0.000 0.919 781 G HN 0.483 nan 8.290 nan 0.000 0.577 782 V N -3.268 116.652 119.914 0.010 0.000 3.177 782 V HA 0.791 4.911 4.120 -0.001 0.000 0.319 782 V C 1.463 177.553 176.094 -0.005 0.000 1.125 782 V CA 0.108 62.411 62.300 0.006 0.000 1.029 782 V CB 1.386 33.223 31.823 0.024 0.000 1.119 782 V HN 1.772 nan 8.190 nan 0.000 0.452 783 M N 0.017 119.609 119.600 -0.012 0.000 2.259 783 M HA -0.139 4.341 4.480 -0.001 0.000 0.188 783 M C -0.405 175.876 176.300 -0.032 0.000 0.665 783 M CA 0.783 56.068 55.300 -0.026 0.000 0.464 783 M CB -1.197 31.387 32.600 -0.027 0.000 1.063 783 M HN 0.844 nan 8.290 nan 0.000 0.912 784 V N 1.549 121.443 119.914 -0.033 0.000 2.384 784 V HA 0.611 4.731 4.120 -0.001 0.000 0.287 784 V C -2.152 173.915 176.094 -0.045 0.000 1.020 784 V CA -1.848 60.431 62.300 -0.035 0.000 0.850 784 V CB 1.896 33.701 31.823 -0.029 0.000 0.987 784 V HN 0.146 nan 8.190 nan 0.000 0.436 785 P HA 0.206 nan 4.420 nan 0.000 0.269 785 P C 0.561 177.825 177.300 -0.060 0.000 1.209 785 P CA 0.297 63.365 63.100 -0.053 0.000 0.776 785 P CB 0.979 32.651 31.700 -0.047 0.000 0.876 786 A N 2.787 125.564 122.820 -0.072 0.000 2.024 786 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 786 A C 2.053 179.586 177.584 -0.084 0.000 1.164 786 A CA 1.445 53.426 52.037 -0.094 0.000 0.643 786 A CB -0.993 17.942 19.000 -0.109 0.000 0.806 786 A HN 0.628 nan 8.150 nan 0.000 0.451 787 E N 0.472 120.638 120.200 -0.057 0.000 2.051 787 E HA -0.238 4.111 4.350 -0.001 0.000 0.192 787 E C 2.016 178.603 176.600 -0.022 0.000 0.991 787 E CA 1.691 58.071 56.400 -0.034 0.000 0.799 787 E CB -0.249 29.436 29.700 -0.024 0.000 0.748 787 E HN 0.678 nan 8.360 nan 0.000 0.449 788 K N 0.324 120.708 120.400 -0.027 0.000 2.026 788 K HA -0.109 4.210 4.320 -0.001 0.000 0.208 788 K C 2.457 179.046 176.600 -0.017 0.000 1.048 788 K CA 1.342 57.619 56.287 -0.016 0.000 0.929 788 K CB -0.176 32.312 32.500 -0.020 0.000 0.713 788 K HN 0.120 nan 8.250 nan 0.000 0.439 789 I N 1.433 121.978 120.570 -0.042 0.000 2.069 789 I HA -0.378 3.791 4.170 -0.001 0.000 0.237 789 I C 2.338 178.425 176.117 -0.051 0.000 1.053 789 I CA 1.483 62.748 61.300 -0.057 0.000 1.311 789 I CB -0.512 37.429 38.000 -0.099 0.000 1.030 789 I HN 0.206 nan 8.210 nan 0.000 0.398 790 L N 0.073 121.241 121.223 -0.091 0.000 1.989 790 L HA -0.238 4.101 4.340 -0.001 0.000 0.211 790 L C 2.823 179.794 176.870 0.169 0.000 1.071 790 L CA 1.566 56.386 54.840 -0.033 0.000 0.749 790 L CB -0.869 41.126 42.059 -0.107 0.000 0.890 790 L HN 0.280 nan 8.230 nan 0.000 0.431 791 R N -0.056 120.503 120.500 0.099 0.000 2.113 791 R HA -0.204 4.136 4.340 -0.001 0.000 0.244 791 R C 2.233 178.583 176.300 0.084 0.000 1.142 791 R CA 2.444 58.598 56.100 0.091 0.000 0.953 791 R CB -0.325 30.002 30.300 0.045 0.000 0.860 791 R HN 0.370 nan 8.270 nan 0.000 0.438 792 T N 0.325 114.916 114.554 0.061 0.000 2.777 792 T HA -0.071 4.278 4.350 -0.001 0.000 0.266 792 T C 1.855 176.603 174.700 0.080 0.000 1.040 792 T CA 1.189 63.321 62.100 0.054 0.000 1.141 792 T CB -0.334 68.554 68.868 0.032 0.000 0.868 792 T HN 0.462 nan 8.240 nan 0.000 0.444 793 A N 2.214 125.102 122.820 0.113 0.000 1.892 793 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 793 A C 2.328 180.016 177.584 0.173 0.000 1.188 793 A CA 1.461 53.596 52.037 0.163 0.000 0.631 793 A CB -0.431 18.712 19.000 0.238 0.000 0.822 793 A HN 0.278 nan 8.150 nan 0.000 0.447 794 K N -0.290 120.224 120.400 0.191 0.000 1.978 794 K HA -0.178 4.141 4.320 -0.001 0.000 0.214 794 K C 1.952 178.574 176.600 0.036 0.000 1.049 794 K CA 1.783 58.109 56.287 0.064 0.000 0.939 794 K CB -0.587 31.931 32.500 0.029 0.000 0.721 794 K HN 0.698 nan 8.250 nan 0.000 0.441 795 E N 0.464 120.688 120.200 0.041 0.000 2.065 795 E HA -0.202 4.148 4.350 -0.001 0.000 0.201 795 E C 1.939 178.555 176.600 0.027 0.000 1.016 795 E CA 1.433 57.849 56.400 0.027 0.000 0.818 795 E CB -0.274 29.442 29.700 0.027 0.000 0.749 795 E HN 0.021 nan 8.360 nan 0.000 0.453 796 V N 1.493 121.430 119.914 0.039 0.000 3.380 796 V HA -0.100 4.020 4.120 -0.001 0.000 0.268 796 V C 0.518 176.636 176.094 0.040 0.000 1.168 796 V CA 0.618 62.941 62.300 0.038 0.000 1.156 796 V CB -0.713 31.136 31.823 0.043 0.000 0.785 796 V HN 0.435 nan 8.190 nan 0.000 0.487 797 N N 0.564 119.290 118.700 0.043 0.000 2.708 797 N HA -0.180 4.560 4.740 -0.001 0.000 0.255 797 N C 0.034 175.578 175.510 0.058 0.000 1.046 797 N CA 0.687 53.761 53.050 0.041 0.000 0.715 797 N CB -0.936 37.565 38.487 0.023 0.000 0.895 797 N HN 0.666 nan 8.380 nan 0.000 0.545 798 A N 0.551 123.419 122.820 0.080 0.000 2.346 798 A HA 0.177 4.497 4.320 -0.001 0.000 0.252 798 A C 1.128 178.771 177.584 0.098 0.000 1.089 798 A CA 0.236 52.326 52.037 0.088 0.000 0.797 798 A CB 0.309 19.365 19.000 0.093 0.000 1.047 798 A HN 0.468 nan 8.150 nan 0.000 0.494 799 D N -0.910 119.549 120.400 0.099 0.000 2.327 799 D HA 0.189 4.829 4.640 -0.001 0.000 0.205 799 D C 0.298 176.666 176.300 0.113 0.000 0.989 799 D CA 1.143 55.205 54.000 0.104 0.000 0.873 799 D CB 0.073 40.939 40.800 0.110 0.000 0.955 799 D HN 0.563 nan 8.370 nan 0.000 0.515 800 L N -2.585 118.701 121.223 0.106 0.000 2.794 800 L HA 0.505 4.844 4.340 -0.001 0.000 0.261 800 L C -1.641 175.266 176.870 0.061 0.000 0.989 800 L CA -1.029 53.866 54.840 0.092 0.000 0.900 800 L CB 1.899 44.007 42.059 0.082 0.000 1.473 800 L HN -0.355 nan 8.230 nan 0.000 0.414 801 I N 0.744 121.332 120.570 0.030 0.000 2.474 801 I HA 0.733 4.902 4.170 -0.001 0.000 0.294 801 I C 0.155 176.261 176.117 -0.019 0.000 1.005 801 I CA -0.594 60.698 61.300 -0.015 0.000 1.113 801 I CB 2.024 39.970 38.000 -0.089 0.000 1.289 801 I HN 0.815 nan 8.210 nan 0.000 0.436 802 G N 6.863 115.651 108.800 -0.020 0.000 2.609 802 G HA2 0.714 4.674 3.960 -0.001 0.000 0.308 802 G HA3 0.714 4.674 3.960 -0.001 0.000 0.308 802 G C -1.039 173.846 174.900 -0.025 0.000 1.369 802 G CA -0.450 44.639 45.100 -0.018 0.000 0.958 802 G HN 0.404 nan 8.290 nan 0.000 0.499 803 L N 1.329 122.539 121.223 -0.021 0.000 2.325 803 L HA 0.750 5.090 4.340 -0.001 0.000 0.278 803 L C 0.325 177.190 176.870 -0.009 0.000 1.023 803 L CA -0.880 53.946 54.840 -0.023 0.000 0.811 803 L CB 2.145 44.186 42.059 -0.030 0.000 1.249 803 L HN 0.497 nan 8.230 nan 0.000 0.431 804 S N 0.438 116.130 115.700 -0.014 0.000 2.526 804 S HA 0.905 5.375 4.470 -0.001 0.000 0.293 804 S C -0.537 174.055 174.600 -0.014 0.000 1.092 804 S CA -0.390 57.805 58.200 -0.009 0.000 0.980 804 S CB 1.867 65.058 63.200 -0.014 0.000 1.048 804 S HN 0.834 nan 8.310 nan 0.000 0.483 805 G N 2.052 110.845 108.800 -0.011 0.000 2.690 805 G HA2 0.591 4.550 3.960 -0.001 0.000 0.293 805 G HA3 0.591 4.550 3.960 -0.001 0.000 0.293 805 G C -0.737 174.149 174.900 -0.022 0.000 1.399 805 G CA -0.469 44.617 45.100 -0.024 0.000 0.890 805 G HN 0.606 nan 8.290 nan 0.000 0.485 806 L N 0.380 121.586 121.223 -0.028 0.000 2.641 806 L HA 0.493 4.833 4.340 -0.001 0.000 0.207 806 L C 1.269 178.121 176.870 -0.029 0.000 1.049 806 L CA 0.394 55.219 54.840 -0.024 0.000 0.866 806 L CB 0.004 42.053 42.059 -0.017 0.000 1.264 806 L HN 0.713 nan 8.230 nan 0.000 0.483 807 I N -4.985 115.566 120.570 -0.032 0.000 3.062 807 I HA 0.282 4.452 4.170 -0.001 0.000 0.318 807 I C 1.304 177.390 176.117 -0.052 0.000 1.026 807 I CA -0.446 60.841 61.300 -0.022 0.000 1.096 807 I CB 0.763 38.737 38.000 -0.044 0.000 1.348 807 I HN -0.178 nan 8.210 nan 0.000 0.543 808 T N 1.695 116.243 114.554 -0.011 0.000 2.708 808 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 808 T C -0.800 173.858 174.700 -0.070 0.000 1.037 808 T CA 2.114 64.206 62.100 -0.013 0.000 1.146 808 T CB -1.192 67.758 68.868 0.137 0.000 0.865 808 T HN 0.609 nan 8.240 nan 0.000 0.435 809 P HA -0.097 nan 4.420 nan 0.000 0.217 809 P C 1.676 178.909 177.300 -0.113 0.000 1.151 809 P CA 1.234 64.276 63.100 -0.096 0.000 0.849 809 P CB -0.170 31.517 31.700 -0.021 0.000 0.787 810 S N -0.431 115.211 115.700 -0.098 0.000 2.365 810 S HA -0.168 4.301 4.470 -0.001 0.000 0.225 810 S C 1.821 176.361 174.600 -0.099 0.000 1.039 810 S CA 1.124 59.271 58.200 -0.089 0.000 1.033 810 S CB -1.253 61.903 63.200 -0.074 0.000 0.887 810 S HN 0.023 nan 8.310 nan 0.000 0.447 811 L N 2.288 123.422 121.223 -0.148 0.000 2.010 811 L HA -0.219 4.120 4.340 -0.001 0.000 0.219 811 L C 2.100 178.947 176.870 -0.038 0.000 1.077 811 L CA 1.965 56.685 54.840 -0.200 0.000 0.773 811 L CB -1.867 39.898 42.059 -0.491 0.000 0.892 811 L HN 0.274 nan 8.230 nan 0.000 0.436 812 D N -0.551 119.814 120.400 -0.059 0.000 2.117 812 D HA -0.155 4.485 4.640 -0.001 0.000 0.197 812 D C 2.163 178.428 176.300 -0.058 0.000 0.987 812 D CA 0.730 54.703 54.000 -0.045 0.000 0.829 812 D CB -0.039 40.700 40.800 -0.102 0.000 0.961 812 D HN 0.316 nan 8.370 nan 0.000 0.460 813 E N 0.244 120.398 120.200 -0.078 0.000 2.118 813 E HA -0.131 4.219 4.350 -0.001 0.000 0.195 813 E C 2.203 178.766 176.600 -0.062 0.000 0.992 813 E CA 0.694 57.048 56.400 -0.077 0.000 0.804 813 E CB -0.252 29.400 29.700 -0.080 0.000 0.741 813 E HN 0.467 nan 8.360 nan 0.000 0.458 814 M N -0.014 119.562 119.600 -0.039 0.000 2.254 814 M HA -0.088 4.392 4.480 -0.001 0.000 0.265 814 M C 2.378 178.660 176.300 -0.031 0.000 1.066 814 M CA 0.763 56.045 55.300 -0.030 0.000 1.123 814 M CB -0.257 32.347 32.600 0.006 0.000 1.388 814 M HN -0.088 nan 8.290 nan 0.000 0.425 815 V N 1.259 121.167 119.914 -0.011 0.000 2.343 815 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 815 V C 2.118 178.180 176.094 -0.053 0.000 1.051 815 V CA 2.275 64.559 62.300 -0.026 0.000 1.036 815 V CB -1.093 30.718 31.823 -0.019 0.000 0.654 815 V HN 0.513 nan 8.190 nan 0.000 0.451 816 N N 0.670 119.332 118.700 -0.062 0.000 2.025 816 N HA -0.174 4.566 4.740 -0.001 0.000 0.194 816 N C 1.625 177.075 175.510 -0.100 0.000 1.044 816 N CA 2.010 55.015 53.050 -0.075 0.000 0.851 816 N CB -0.441 37.999 38.487 -0.078 0.000 1.036 816 N HN 0.247 nan 8.380 nan 0.000 0.422 817 V N 0.813 120.656 119.914 -0.118 0.000 2.324 817 V HA -0.258 3.862 4.120 -0.001 0.000 0.250 817 V C 2.420 178.376 176.094 -0.230 0.000 1.060 817 V CA 1.949 64.143 62.300 -0.176 0.000 1.042 817 V CB -1.396 30.323 31.823 -0.173 0.000 0.650 817 V HN 0.510 nan 8.190 nan 0.000 0.450 818 A N 0.045 122.763 122.820 -0.171 0.000 1.845 818 A HA -0.268 4.051 4.320 -0.001 0.000 0.215 818 A C 2.295 179.794 177.584 -0.143 0.000 1.195 818 A CA 2.209 54.142 52.037 -0.175 0.000 0.616 818 A CB -0.554 18.419 19.000 -0.044 0.000 0.832 818 A HN 0.524 nan 8.150 nan 0.000 0.443 819 K N -0.554 119.801 120.400 -0.074 0.000 2.152 819 K HA -0.147 4.172 4.320 -0.001 0.000 0.206 819 K C 2.048 178.617 176.600 -0.051 0.000 1.048 819 K CA 1.415 57.680 56.287 -0.036 0.000 0.933 819 K CB -0.045 32.435 32.500 -0.032 0.000 0.721 819 K HN 0.425 nan 8.250 nan 0.000 0.447 820 E N 0.507 120.643 120.200 -0.105 0.000 2.028 820 E HA -0.098 4.252 4.350 -0.001 0.000 0.190 820 E C 2.002 178.529 176.600 -0.123 0.000 0.984 820 E CA 1.202 57.540 56.400 -0.103 0.000 0.800 820 E CB -0.099 29.520 29.700 -0.136 0.000 0.758 820 E HN 0.312 nan 8.360 nan 0.000 0.448 821 M N 0.609 120.021 119.600 -0.314 0.000 2.144 821 M HA -0.226 4.253 4.480 -0.001 0.000 0.260 821 M C 2.155 178.428 176.300 -0.044 0.000 1.067 821 M CA 1.500 56.546 55.300 -0.424 0.000 1.095 821 M CB -0.178 31.835 32.600 -0.979 0.000 1.365 821 M HN -0.049 nan 8.290 nan 0.000 0.406 822 E N 0.536 120.740 120.200 0.006 0.000 2.072 822 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 822 E C 1.950 178.639 176.600 0.148 0.000 0.985 822 E CA 1.443 57.976 56.400 0.222 0.000 0.801 822 E CB -0.107 29.718 29.700 0.209 0.000 0.750 822 E HN 0.341 nan 8.360 nan 0.000 0.452 823 R N -0.208 120.344 120.500 0.088 0.000 2.090 823 R HA 0.020 4.359 4.340 -0.001 0.000 0.228 823 R C 1.576 177.933 176.300 0.096 0.000 1.110 823 R CA 1.130 57.274 56.100 0.073 0.000 0.973 823 R CB 0.031 30.355 30.300 0.040 0.000 0.869 823 R HN 0.231 nan 8.270 nan 0.000 0.440 824 Q N -0.387 119.501 119.800 0.147 0.000 2.282 824 Q HA 0.100 4.440 4.340 -0.001 0.000 0.205 824 Q C 0.207 176.315 176.000 0.180 0.000 0.915 824 Q CA 0.356 56.273 55.803 0.190 0.000 0.949 824 Q CB 0.760 29.690 28.738 0.320 0.000 1.035 824 Q HN 0.588 nan 8.270 nan 0.000 0.484 825 G N 1.143 110.045 108.800 0.170 0.000 2.341 825 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.292 825 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.292 825 G C -0.119 174.866 174.900 0.143 0.000 1.021 825 G CA 0.079 45.259 45.100 0.133 0.000 0.905 825 G HN 0.330 nan 8.290 nan 0.000 0.508 826 F N -1.379 118.631 119.950 0.100 0.000 2.435 826 F HA 0.522 5.049 4.527 -0.001 0.000 0.316 826 F C 1.779 177.719 175.800 0.233 0.000 1.220 826 F CA 1.240 59.307 58.000 0.111 0.000 1.241 826 F CB 1.353 40.359 39.000 0.009 0.000 1.234 826 F HN 0.040 nan 8.300 nan 0.000 0.569 827 T N 0.919 115.717 114.554 0.407 0.000 3.051 827 T HA 0.219 4.568 4.350 -0.001 0.000 0.254 827 T C 0.365 175.241 174.700 0.293 0.000 0.916 827 T CA -0.179 62.094 62.100 0.288 0.000 0.894 827 T CB -0.197 68.743 68.868 0.121 0.000 1.251 827 T HN 0.367 nan 8.240 nan 0.000 0.517 828 I N 2.366 123.129 120.570 0.322 0.000 2.993 828 I HA 0.372 4.542 4.170 -0.001 0.000 0.286 828 I C -2.337 173.954 176.117 0.290 0.000 1.215 828 I CA -1.875 59.574 61.300 0.247 0.000 1.393 828 I CB 0.032 38.165 38.000 0.223 0.000 1.371 828 I HN -0.016 nan 8.210 nan 0.000 0.602 829 P HA 0.130 nan 4.420 nan 0.000 0.275 829 P C -0.943 176.451 177.300 0.157 0.000 1.227 829 P CA -0.342 62.856 63.100 0.164 0.000 0.781 829 P CB 1.572 33.313 31.700 0.069 0.000 0.906 830 L N 4.508 125.838 121.223 0.180 0.000 2.262 830 L HA 0.373 4.712 4.340 -0.001 0.000 0.288 830 L C -1.007 175.903 176.870 0.067 0.000 1.035 830 L CA -0.592 54.299 54.840 0.086 0.000 0.820 830 L CB 0.196 42.297 42.059 0.071 0.000 1.204 830 L HN 0.143 nan 8.230 nan 0.000 0.424 831 L N 6.621 127.866 121.223 0.036 0.000 2.292 831 L HA 0.553 4.892 4.340 -0.001 0.000 0.284 831 L C -0.139 176.751 176.870 0.034 0.000 1.065 831 L CA 0.093 54.954 54.840 0.034 0.000 0.806 831 L CB 1.430 43.496 42.059 0.012 0.000 1.175 831 L HN 0.684 nan 8.230 nan 0.000 0.431 832 I N 1.036 121.647 120.570 0.068 0.000 2.509 832 I HA 0.992 5.162 4.170 -0.001 0.000 0.293 832 I C -0.156 176.030 176.117 0.116 0.000 1.020 832 I CA -0.004 61.349 61.300 0.089 0.000 1.088 832 I CB 1.937 40.009 38.000 0.120 0.000 1.267 832 I HN 0.567 nan 8.210 nan 0.000 0.430 833 G N 3.052 111.902 108.800 0.083 0.000 2.706 833 G HA2 0.799 4.758 3.960 -0.001 0.000 0.307 833 G HA3 0.799 4.758 3.960 -0.001 0.000 0.307 833 G C -0.504 174.439 174.900 0.072 0.000 1.307 833 G CA -0.545 44.600 45.100 0.075 0.000 0.790 833 G HN 1.572 nan 8.290 nan 0.000 0.503 834 G N -2.227 106.607 108.800 0.057 0.000 2.541 834 G HA2 0.421 4.380 3.960 -0.001 0.000 0.686 834 G HA3 0.421 4.380 3.960 -0.001 0.000 0.686 834 G C 1.005 175.936 174.900 0.052 0.000 1.286 834 G CA 0.741 45.861 45.100 0.034 0.000 0.894 834 G HN 2.038 nan 8.290 nan 0.000 0.575 835 A N -0.561 122.272 122.820 0.021 0.000 1.848 835 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 835 A C 2.841 180.432 177.584 0.012 0.000 1.220 835 A CA 4.326 56.374 52.037 0.017 0.000 0.645 835 A CB -1.677 17.320 19.000 -0.005 0.000 0.842 835 A HN 2.422 nan 8.150 nan 0.000 0.451 836 T N -0.852 113.689 114.554 -0.021 0.000 2.929 836 T HA -0.020 4.329 4.350 -0.001 0.000 0.271 836 T C 1.059 175.708 174.700 -0.084 0.000 1.085 836 T CA 1.235 63.298 62.100 -0.062 0.000 1.125 836 T CB -1.651 67.157 68.868 -0.099 0.000 0.874 836 T HN 0.827 nan 8.240 nan 0.000 0.494 837 T N 1.981 116.524 114.554 -0.018 0.000 2.888 837 T HA 0.442 4.791 4.350 -0.001 0.000 0.301 837 T C 0.021 174.639 174.700 -0.137 0.000 1.001 837 T CA -0.606 61.486 62.100 -0.013 0.000 1.147 837 T CB 0.757 69.742 68.868 0.195 0.000 0.931 837 T HN 0.480 nan 8.240 nan 0.000 0.541 838 S N 1.502 116.929 115.700 -0.454 0.000 2.569 838 S HA 0.468 4.937 4.470 -0.001 0.000 0.280 838 S C 0.691 174.652 174.600 -1.065 0.000 1.111 838 S CA -1.136 56.645 58.200 -0.698 0.000 0.887 838 S CB 2.079 65.105 63.200 -0.289 0.000 1.095 838 S HN 0.722 nan 8.310 nan 0.000 0.476 839 K N 1.675 121.446 120.400 -1.048 0.000 2.160 839 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 839 K C 1.834 178.151 176.600 -0.473 0.000 1.047 839 K CA 2.078 58.007 56.287 -0.596 0.000 0.930 839 K CB -0.897 31.545 32.500 -0.097 0.000 0.720 839 K HN 0.752 nan 8.250 nan 0.000 0.450 840 A N 0.272 122.848 122.820 -0.407 0.000 1.825 840 A HA -0.195 4.124 4.320 -0.001 0.000 0.214 840 A C 2.276 179.617 177.584 -0.405 0.000 1.206 840 A CA 1.687 53.449 52.037 -0.459 0.000 0.609 840 A CB -1.264 17.434 19.000 -0.503 0.000 0.851 840 A HN 0.617 nan 8.150 nan 0.000 0.445 841 H N 0.114 118.954 119.070 -0.383 0.000 2.422 841 H HA -0.107 4.448 4.556 -0.001 0.000 0.298 841 H C 1.468 176.619 175.328 -0.295 0.000 1.098 841 H CA 1.916 57.788 56.048 -0.292 0.000 1.315 841 H CB -0.195 29.431 29.762 -0.226 0.000 1.382 841 H HN 0.400 nan 8.280 nan 0.000 0.523 842 T N -0.064 114.294 114.554 -0.327 0.000 3.163 842 T HA 0.147 4.496 4.350 -0.001 0.000 0.260 842 T C 1.450 175.850 174.700 -0.500 0.000 1.156 842 T CA 0.698 62.595 62.100 -0.338 0.000 1.072 842 T CB -0.055 68.642 68.868 -0.285 0.000 0.937 842 T HN 0.478 nan 8.240 nan 0.000 0.528 843 A N -0.120 122.374 122.820 -0.543 0.000 2.508 843 A HA 0.544 4.864 4.320 -0.001 0.000 0.250 843 A C 1.485 178.899 177.584 -0.283 0.000 1.208 843 A CA -0.173 51.572 52.037 -0.486 0.000 0.960 843 A CB 0.666 19.309 19.000 -0.596 0.000 1.099 843 A HN 0.326 nan 8.150 nan 0.000 0.542 844 V N -1.043 118.676 119.914 -0.325 0.000 3.497 844 V HA 0.222 4.341 4.120 -0.001 0.000 0.272 844 V C 1.143 177.076 176.094 -0.267 0.000 1.474 844 V CA 0.690 62.844 62.300 -0.244 0.000 1.025 844 V CB 0.283 31.967 31.823 -0.231 0.000 0.820 844 V HN 0.413 nan 8.190 nan 0.000 0.437 845 K N -0.688 119.458 120.400 -0.424 0.000 2.553 845 K HA 0.490 4.809 4.320 -0.001 0.000 0.205 845 K C 0.646 177.035 176.600 -0.352 0.000 1.168 845 K CA 0.148 56.181 56.287 -0.425 0.000 1.043 845 K CB 1.296 33.428 32.500 -0.613 0.000 0.967 845 K HN 0.294 nan 8.250 nan 0.000 0.585 846 I N -0.424 119.974 120.570 -0.286 0.000 3.685 846 I HA -0.043 4.126 4.170 -0.001 0.000 0.258 846 I C 2.116 178.201 176.117 -0.053 0.000 1.135 846 I CA 0.002 61.214 61.300 -0.146 0.000 1.436 846 I CB 0.180 38.108 38.000 -0.119 0.000 1.670 846 I HN 0.042 nan 8.210 nan 0.000 0.424 847 E N 1.861 122.036 120.200 -0.042 0.000 2.108 847 E HA -0.327 4.022 4.350 -0.001 0.000 0.203 847 E C 1.717 178.336 176.600 0.033 0.000 1.022 847 E CA 1.906 58.331 56.400 0.040 0.000 0.823 847 E CB -0.067 29.690 29.700 0.096 0.000 0.744 847 E HN 0.447 nan 8.360 nan 0.000 0.456 848 Q N -0.408 119.390 119.800 -0.004 0.000 2.576 848 Q HA -0.099 4.241 4.340 -0.001 0.000 0.218 848 Q C 1.000 177.006 176.000 0.010 0.000 0.983 848 Q CA 0.710 56.511 55.803 -0.003 0.000 0.920 848 Q CB -0.183 28.542 28.738 -0.022 0.000 0.973 848 Q HN 0.420 nan 8.270 nan 0.000 0.528 849 N N -1.046 117.674 118.700 0.033 0.000 2.368 849 N HA -0.010 4.729 4.740 -0.001 0.000 0.178 849 N C -0.731 174.861 175.510 0.137 0.000 1.076 849 N CA -0.107 52.975 53.050 0.054 0.000 0.889 849 N CB 0.614 39.116 38.487 0.025 0.000 1.040 849 N HN 0.053 nan 8.380 nan 0.000 0.463 850 Y N 1.020 121.312 120.300 -0.014 0.000 2.350 850 Y HA 0.239 4.789 4.550 -0.001 0.000 0.338 850 Y C 1.032 176.935 175.900 0.006 0.000 0.961 850 Y CA -1.793 56.305 58.100 -0.003 0.000 1.100 850 Y CB 1.155 39.609 38.460 -0.010 0.000 1.179 850 Y HN -0.072 nan 8.280 nan 0.000 0.454 851 S N 2.478 118.035 115.700 -0.239 0.000 2.423 851 S HA 0.064 4.534 4.470 -0.001 0.000 0.231 851 S C 1.014 175.256 174.600 -0.598 0.000 1.014 851 S CA 0.582 58.596 58.200 -0.311 0.000 0.965 851 S CB -0.663 62.449 63.200 -0.147 0.000 0.785 851 S HN 0.859 nan 8.310 nan 0.000 0.495 852 G N 1.854 109.769 108.800 -1.475 0.000 2.599 852 G HA2 0.488 4.447 3.960 -0.001 0.000 0.264 852 G HA3 0.488 4.447 3.960 -0.001 0.000 0.264 852 G C -3.057 171.449 174.900 -0.657 0.000 1.200 852 G CA -1.753 42.652 45.100 -1.158 0.000 0.896 852 G HN 0.216 nan 8.290 nan 0.000 0.536 853 P HA 0.213 nan 4.420 nan 0.000 0.269 853 P C -0.428 176.877 177.300 0.007 0.000 1.252 853 P CA 0.320 63.344 63.100 -0.127 0.000 0.780 853 P CB 0.792 32.417 31.700 -0.125 0.000 0.829 854 T N 3.386 117.975 114.554 0.058 0.000 2.772 854 T HA 0.413 4.762 4.350 -0.001 0.000 0.288 854 T C -0.138 174.675 174.700 0.188 0.000 0.994 854 T CA -0.413 61.780 62.100 0.156 0.000 0.951 854 T CB 0.595 69.579 68.868 0.192 0.000 0.933 854 T HN -0.036 nan 8.240 nan 0.000 0.447 855 V N 4.047 124.040 119.914 0.132 0.000 2.540 855 V HA 0.429 4.549 4.120 -0.001 0.000 0.302 855 V C -0.726 175.501 176.094 0.220 0.000 1.035 855 V CA -1.234 61.172 62.300 0.177 0.000 0.873 855 V CB 1.298 33.087 31.823 -0.058 0.000 0.992 855 V HN 0.829 nan 8.190 nan 0.000 0.428 856 Y N 5.053 125.467 120.300 0.190 0.000 2.307 856 Y HA 0.728 5.278 4.550 -0.001 0.000 0.324 856 Y C -0.516 175.457 175.900 0.122 0.000 1.238 856 Y CA -0.551 57.607 58.100 0.096 0.000 1.280 856 Y CB 1.585 40.057 38.460 0.020 0.000 1.248 856 Y HN 0.403 nan 8.280 nan 0.000 0.508 857 V N 6.264 125.632 119.914 -0.911 0.000 2.733 857 V HA 0.150 4.269 4.120 -0.001 0.000 0.306 857 V C 0.215 175.766 176.094 -0.905 0.000 1.084 857 V CA -0.764 61.131 62.300 -0.675 0.000 0.905 857 V CB 1.858 33.534 31.823 -0.245 0.000 1.010 857 V HN 0.930 nan 8.190 nan 0.000 0.424 858 Q N 2.228 121.703 119.800 -0.542 0.000 2.172 858 Q HA 0.033 4.372 4.340 -0.001 0.000 0.200 858 Q C 0.413 176.355 176.000 -0.097 0.000 0.964 858 Q CA 1.103 56.766 55.803 -0.234 0.000 0.855 858 Q CB 0.277 29.003 28.738 -0.020 0.000 0.918 858 Q HN 0.910 nan 8.270 nan 0.000 0.444 859 N N -3.076 115.577 118.700 -0.079 0.000 2.708 859 N HA 0.236 4.976 4.740 -0.001 0.000 0.257 859 N C 0.108 175.608 175.510 -0.016 0.000 1.373 859 N CA 0.272 53.308 53.050 -0.023 0.000 0.843 859 N CB 0.953 39.456 38.487 0.027 0.000 1.503 859 N HN -0.122 nan 8.380 nan 0.000 0.504 860 A N 0.999 123.819 122.820 -0.000 0.000 1.927 860 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 860 A C 2.294 179.889 177.584 0.018 0.000 1.185 860 A CA 2.782 54.816 52.037 -0.005 0.000 0.639 860 A CB -1.070 17.931 19.000 0.001 0.000 0.820 860 A HN 0.802 nan 8.150 nan 0.000 0.451 861 S N -0.513 115.237 115.700 0.083 0.000 2.365 861 S HA -0.255 4.214 4.470 -0.001 0.000 0.221 861 S C 2.150 176.796 174.600 0.075 0.000 1.037 861 S CA 1.780 60.066 58.200 0.142 0.000 1.060 861 S CB -0.379 62.960 63.200 0.231 0.000 0.974 861 S HN 0.639 nan 8.310 nan 0.000 0.427 862 R N 0.064 120.591 120.500 0.047 0.000 2.159 862 R HA -0.052 4.288 4.340 -0.001 0.000 0.237 862 R C 2.428 178.731 176.300 0.005 0.000 1.131 862 R CA 1.636 57.749 56.100 0.022 0.000 0.982 862 R CB -0.864 29.441 30.300 0.009 0.000 0.868 862 R HN 0.455 nan 8.270 nan 0.000 0.453 863 T N 0.777 115.321 114.554 -0.018 0.000 2.665 863 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 863 T C 1.979 176.644 174.700 -0.058 0.000 1.035 863 T CA 1.719 63.793 62.100 -0.042 0.000 1.151 863 T CB -0.253 68.572 68.868 -0.071 0.000 0.862 863 T HN 0.038 nan 8.240 nan 0.000 0.438 864 V N 1.425 121.297 119.914 -0.070 0.000 2.469 864 V HA -0.150 3.969 4.120 -0.001 0.000 0.251 864 V C 2.790 178.870 176.094 -0.024 0.000 1.064 864 V CA 1.883 64.127 62.300 -0.094 0.000 1.066 864 V CB -1.522 30.277 31.823 -0.041 0.000 0.667 864 V HN 0.606 nan 8.190 nan 0.000 0.461 865 G N 0.002 108.801 108.800 -0.001 0.000 2.414 865 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.215 865 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.215 865 G C 1.652 176.560 174.900 0.014 0.000 1.188 865 G CA 1.166 46.262 45.100 -0.008 0.000 0.783 865 G HN 0.362 nan 8.290 nan 0.000 0.537 866 V N 0.749 120.718 119.914 0.092 0.000 2.233 866 V HA -0.203 3.916 4.120 -0.001 0.000 0.247 866 V C 3.073 179.320 176.094 0.255 0.000 1.050 866 V CA 1.746 64.240 62.300 0.324 0.000 1.010 866 V CB -0.701 31.293 31.823 0.284 0.000 0.637 866 V HN 0.231 nan 8.190 nan 0.000 0.444 867 V N 0.298 120.269 119.914 0.095 0.000 2.688 867 V HA -0.254 3.865 4.120 -0.001 0.000 0.256 867 V C 2.576 178.756 176.094 0.143 0.000 1.084 867 V CA 1.708 64.046 62.300 0.063 0.000 1.103 867 V CB -1.328 30.415 31.823 -0.134 0.000 0.688 867 V HN 0.560 nan 8.190 nan 0.000 0.480 868 A N 0.407 123.306 122.820 0.132 0.000 1.845 868 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 868 A C 2.476 180.143 177.584 0.139 0.000 1.195 868 A CA 2.100 54.231 52.037 0.157 0.000 0.616 868 A CB -0.957 18.100 19.000 0.095 0.000 0.832 868 A HN 0.550 nan 8.150 nan 0.000 0.443 869 A N -0.889 122.006 122.820 0.125 0.000 1.877 869 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 869 A C 2.002 179.723 177.584 0.227 0.000 1.186 869 A CA 1.734 53.861 52.037 0.151 0.000 0.620 869 A CB -0.655 18.409 19.000 0.106 0.000 0.822 869 A HN 0.402 nan 8.150 nan 0.000 0.443 870 L N -0.674 120.719 121.223 0.283 0.000 2.187 870 L HA -0.083 4.256 4.340 -0.001 0.000 0.213 870 L C 1.846 178.801 176.870 0.141 0.000 1.100 870 L CA 1.406 56.358 54.840 0.188 0.000 0.765 870 L CB -0.454 41.693 42.059 0.146 0.000 0.904 870 L HN 0.381 nan 8.230 nan 0.000 0.437 871 L N -1.879 119.436 121.223 0.153 0.000 2.769 871 L HA 0.183 4.522 4.340 -0.001 0.000 0.240 871 L C 0.733 177.664 176.870 0.102 0.000 1.163 871 L CA -0.146 54.773 54.840 0.133 0.000 0.962 871 L CB 0.099 42.265 42.059 0.178 0.000 1.258 871 L HN 0.083 nan 8.230 nan 0.000 0.513 872 S N -0.486 115.274 115.700 0.100 0.000 2.480 872 S HA 0.159 4.628 4.470 -0.001 0.000 0.286 872 S C 0.367 175.004 174.600 0.060 0.000 1.180 872 S CA -0.610 57.633 58.200 0.073 0.000 1.075 872 S CB 1.163 64.405 63.200 0.070 0.000 0.996 872 S HN 0.219 nan 8.310 nan 0.000 0.487 873 D N 3.341 123.767 120.400 0.043 0.000 2.332 873 D HA 0.160 4.799 4.640 -0.001 0.000 0.244 873 D C 0.909 177.228 176.300 0.032 0.000 1.136 873 D CA 0.491 54.512 54.000 0.035 0.000 0.884 873 D CB 0.341 41.156 40.800 0.025 0.000 0.906 873 D HN 0.526 nan 8.370 nan 0.000 0.520 874 T N -0.718 113.859 114.554 0.037 0.000 3.409 874 T HA -0.013 4.336 4.350 -0.001 0.000 0.242 874 T C 1.418 176.141 174.700 0.039 0.000 1.000 874 T CA -0.126 61.993 62.100 0.031 0.000 1.180 874 T CB 0.009 68.891 68.868 0.022 0.000 1.210 874 T HN -0.098 nan 8.240 nan 0.000 0.373 875 Q N 1.168 120.994 119.800 0.044 0.000 2.488 875 Q HA 0.210 4.549 4.340 -0.001 0.000 0.211 875 Q C 2.138 178.211 176.000 0.121 0.000 0.967 875 Q CA 0.464 56.300 55.803 0.054 0.000 0.926 875 Q CB 0.068 28.814 28.738 0.013 0.000 0.992 875 Q HN 0.248 nan 8.270 nan 0.000 0.506 876 R N 0.983 121.553 120.500 0.116 0.000 2.103 876 R HA -0.203 4.137 4.340 -0.001 0.000 0.234 876 R C 1.210 177.578 176.300 0.112 0.000 1.132 876 R CA 2.087 58.267 56.100 0.134 0.000 0.925 876 R CB -0.141 30.209 30.300 0.085 0.000 0.842 876 R HN 0.312 nan 8.270 nan 0.000 0.430 877 D N 0.481 120.921 120.400 0.067 0.000 2.104 877 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 877 D C 1.601 177.935 176.300 0.057 0.000 0.994 877 D CA 1.387 55.412 54.000 0.041 0.000 0.830 877 D CB -0.562 40.254 40.800 0.026 0.000 0.959 877 D HN 0.329 nan 8.370 nan 0.000 0.452 878 D N -0.041 120.404 120.400 0.074 0.000 2.123 878 D HA -0.162 4.478 4.640 -0.001 0.000 0.196 878 D C 2.029 178.417 176.300 0.147 0.000 0.992 878 D CA 0.491 54.538 54.000 0.078 0.000 0.833 878 D CB -0.475 40.358 40.800 0.055 0.000 0.954 878 D HN 0.287 nan 8.370 nan 0.000 0.455 879 F N 1.884 121.820 119.950 -0.025 0.000 2.014 879 F HA -0.271 4.255 4.527 -0.001 0.000 0.295 879 F C 2.644 178.406 175.800 -0.063 0.000 1.145 879 F CA 1.364 59.343 58.000 -0.035 0.000 1.178 879 F CB -0.116 38.872 39.000 -0.021 0.000 0.972 879 F HN -0.140 nan 8.300 nan 0.000 0.476 880 V N 0.212 120.091 119.914 -0.058 0.000 2.317 880 V HA -0.334 3.786 4.120 -0.001 0.000 0.251 880 V C 2.296 178.305 176.094 -0.142 0.000 1.065 880 V CA 1.815 63.981 62.300 -0.223 0.000 1.049 880 V CB -2.084 29.645 31.823 -0.156 0.000 0.651 880 V HN 0.453 nan 8.190 nan 0.000 0.450 881 A N 0.996 123.787 122.820 -0.048 0.000 1.865 881 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 881 A C 2.526 180.087 177.584 -0.039 0.000 1.191 881 A CA 2.481 54.496 52.037 -0.037 0.000 0.623 881 A CB -0.754 18.243 19.000 -0.005 0.000 0.826 881 A HN 0.676 nan 8.150 nan 0.000 0.444 882 R N -0.872 119.633 120.500 0.008 0.000 2.096 882 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 882 R C 2.030 178.295 176.300 -0.057 0.000 1.127 882 R CA 2.042 58.151 56.100 0.015 0.000 0.968 882 R CB -0.598 29.752 30.300 0.083 0.000 0.861 882 R HN 0.494 nan 8.270 nan 0.000 0.440 883 T N 0.497 114.965 114.554 -0.143 0.000 2.737 883 T HA -0.070 4.279 4.350 -0.001 0.000 0.265 883 T C 1.764 176.126 174.700 -0.564 0.000 1.038 883 T CA 1.471 63.307 62.100 -0.441 0.000 1.144 883 T CB -0.189 68.295 68.868 -0.640 0.000 0.866 883 T HN 0.353 nan 8.240 nan 0.000 0.434 884 R N 0.960 121.253 120.500 -0.344 0.000 2.083 884 R HA -0.026 4.314 4.340 -0.001 0.000 0.237 884 R C 2.544 178.787 176.300 -0.095 0.000 1.137 884 R CA 1.036 57.018 56.100 -0.196 0.000 0.951 884 R CB -0.123 30.106 30.300 -0.117 0.000 0.851 884 R HN 0.098 nan 8.270 nan 0.000 0.434 885 K N 0.764 121.118 120.400 -0.076 0.000 2.217 885 K HA -0.139 4.181 4.320 -0.001 0.000 0.202 885 K C 1.824 178.425 176.600 0.002 0.000 1.051 885 K CA 1.052 57.326 56.287 -0.021 0.000 0.952 885 K CB 0.094 32.586 32.500 -0.013 0.000 0.736 885 K HN 0.313 nan 8.250 nan 0.000 0.453 886 E N -0.614 119.567 120.200 -0.032 0.000 2.076 886 E HA -0.109 4.240 4.350 -0.001 0.000 0.190 886 E C 1.542 178.246 176.600 0.173 0.000 0.979 886 E CA 0.698 57.120 56.400 0.037 0.000 0.807 886 E CB -0.019 29.679 29.700 -0.004 0.000 0.761 886 E HN 0.401 nan 8.360 nan 0.000 0.454 887 Y N -0.145 120.162 120.300 0.013 0.000 2.421 887 Y HA -0.134 4.415 4.550 -0.001 0.000 0.292 887 Y C 2.291 178.184 175.900 -0.011 0.000 1.136 887 Y CA 0.488 58.584 58.100 -0.007 0.000 1.255 887 Y CB 0.214 38.660 38.460 -0.023 0.000 0.991 887 Y HN 0.187 nan 8.280 nan 0.000 0.552 888 E N 0.527 120.817 120.200 0.149 0.000 2.072 888 E HA -0.130 4.220 4.350 -0.001 0.000 0.191 888 E C 1.961 178.605 176.600 0.074 0.000 0.985 888 E CA 1.950 58.400 56.400 0.082 0.000 0.801 888 E CB -0.251 29.479 29.700 0.050 0.000 0.750 888 E HN 0.178 nan 8.360 nan 0.000 0.452 889 T N 0.127 114.729 114.554 0.081 0.000 2.674 889 T HA -0.168 4.181 4.350 -0.001 0.000 0.265 889 T C 1.862 176.615 174.700 0.089 0.000 1.039 889 T CA 1.537 63.682 62.100 0.075 0.000 1.150 889 T CB -0.702 68.211 68.868 0.075 0.000 0.864 889 T HN 0.155 nan 8.240 nan 0.000 0.427 890 V N 1.573 121.552 119.914 0.109 0.000 2.720 890 V HA -0.107 4.013 4.120 -0.001 0.000 0.256 890 V C 2.506 178.664 176.094 0.106 0.000 1.082 890 V CA 1.806 64.178 62.300 0.121 0.000 1.101 890 V CB -0.574 31.299 31.823 0.084 0.000 0.693 890 V HN 0.358 nan 8.190 nan 0.000 0.479 891 R N 0.510 121.046 120.500 0.060 0.000 2.057 891 R HA -0.078 4.262 4.340 -0.001 0.000 0.229 891 R C 2.322 178.660 176.300 0.063 0.000 1.136 891 R CA 2.186 58.304 56.100 0.029 0.000 0.952 891 R CB -0.439 29.871 30.300 0.017 0.000 0.848 891 R HN 0.753 nan 8.270 nan 0.000 0.430 892 I N -1.136 119.471 120.570 0.061 0.000 2.546 892 I HA -0.129 4.041 4.170 -0.001 0.000 0.255 892 I C 2.247 178.400 176.117 0.060 0.000 1.163 892 I CA 1.015 62.346 61.300 0.052 0.000 1.457 892 I CB -0.373 37.650 38.000 0.039 0.000 1.092 892 I HN 0.208 nan 8.210 nan 0.000 0.434 893 Q N 1.513 121.364 119.800 0.083 0.000 2.119 893 Q HA -0.223 4.117 4.340 -0.001 0.000 0.201 893 Q C 1.113 177.133 176.000 0.033 0.000 0.972 893 Q CA 1.726 57.566 55.803 0.062 0.000 0.847 893 Q CB -0.310 28.479 28.738 0.086 0.000 0.903 893 Q HN 0.696 nan 8.270 nan 0.000 0.433 894 H N -1.528 117.540 119.070 -0.004 0.000 2.645 894 H HA 0.239 4.794 4.556 -0.001 0.000 0.300 894 H C 0.587 175.909 175.328 -0.010 0.000 1.065 894 H CA 0.724 56.766 56.048 -0.010 0.000 1.173 894 H CB 0.120 29.869 29.762 -0.022 0.000 1.383 894 H HN 0.269 nan 8.280 nan 0.000 0.566 895 G N -0.223 108.614 108.800 0.063 0.000 4.385 895 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.283 895 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.283 895 G C 1.200 176.110 174.900 0.017 0.000 1.020 895 G CA -0.517 44.606 45.100 0.038 0.000 0.790 895 G HN 0.387 nan 8.290 nan 0.000 0.420 896 R N 0.604 121.106 120.500 0.003 0.000 2.276 896 R HA 0.314 4.654 4.340 -0.001 0.000 0.196 896 R C 0.703 177.000 176.300 -0.005 0.000 0.961 896 R CA 0.026 56.125 56.100 -0.002 0.000 1.024 896 R CB -0.306 29.988 30.300 -0.010 0.000 0.940 896 R HN 0.051 nan 8.270 nan 0.000 0.480 897 K N 2.717 123.113 120.400 -0.007 0.000 4.040 897 K HA -0.218 4.102 4.320 -0.001 0.000 0.279 897 K C -0.751 175.845 176.600 -0.007 0.000 0.890 897 K CA 1.106 57.390 56.287 -0.005 0.000 0.782 897 K CB -0.798 31.706 32.500 0.006 0.000 1.613 897 K HN 0.618 nan 8.250 nan 0.000 0.440 898 K N -0.551 119.839 120.400 -0.017 0.000 2.344 898 K HA 0.060 4.379 4.320 -0.001 0.000 0.260 898 K C -2.189 174.406 176.600 -0.008 0.000 0.988 898 K CA -1.121 55.157 56.287 -0.015 0.000 0.909 898 K CB 0.090 32.576 32.500 -0.024 0.000 0.968 898 K HN -0.131 nan 8.250 nan 0.000 0.505 899 P HA 0.051 nan 4.420 nan 0.000 0.232 899 P C -0.781 176.518 177.300 -0.002 0.000 1.606 899 P CA 0.148 63.247 63.100 -0.002 0.000 1.105 899 P CB -0.030 31.669 31.700 -0.001 0.000 1.919 900 R N 0.912 121.411 120.500 -0.001 0.000 2.652 900 R HA 0.353 4.692 4.340 -0.001 0.000 0.272 900 R C 0.595 176.896 176.300 0.002 0.000 1.162 900 R CA -0.054 56.046 56.100 -0.000 0.000 1.199 900 R CB 0.039 30.340 30.300 0.002 0.000 1.166 900 R HN 0.181 nan 8.270 nan 0.000 0.597 901 T N 0.028 114.583 114.554 0.002 0.000 2.780 901 T HA 0.395 4.745 4.350 -0.001 0.000 0.294 901 T C -2.308 172.396 174.700 0.007 0.000 0.949 901 T CA -1.830 60.272 62.100 0.003 0.000 1.074 901 T CB 1.063 69.930 68.868 -0.001 0.000 0.910 901 T HN 0.264 nan 8.240 nan 0.000 0.501 902 P HA 0.140 nan 4.420 nan 0.000 0.260 902 P C -1.959 175.347 177.300 0.011 0.000 1.185 902 P CA -0.786 62.320 63.100 0.010 0.000 0.763 902 P CB -0.193 31.512 31.700 0.009 0.000 0.776 903 P HA 0.012 nan 4.420 nan 0.000 0.271 903 P C -0.455 176.852 177.300 0.012 0.000 1.238 903 P CA 0.160 63.272 63.100 0.019 0.000 0.794 903 P CB 0.747 32.465 31.700 0.031 0.000 0.959 904 V N -0.123 119.798 119.914 0.011 0.000 3.001 904 V HA 0.329 4.448 4.120 -0.001 0.000 0.314 904 V C 0.336 176.434 176.094 0.006 0.000 1.099 904 V CA -0.528 61.776 62.300 0.006 0.000 0.989 904 V CB 2.171 33.994 31.823 -0.000 0.000 1.040 904 V HN 0.782 nan 8.190 nan 0.000 0.434 905 T N 1.836 116.392 114.554 0.003 0.000 2.900 905 T HA 0.167 4.516 4.350 -0.001 0.000 0.307 905 T C 1.035 175.738 174.700 0.005 0.000 1.065 905 T CA -0.179 61.923 62.100 0.002 0.000 1.105 905 T CB 0.665 69.533 68.868 -0.001 0.000 0.979 905 T HN 0.542 nan 8.240 nan 0.000 0.544 906 L N 0.878 122.106 121.223 0.008 0.000 2.043 906 L HA -0.099 4.240 4.340 -0.001 0.000 0.212 906 L C 2.293 179.171 176.870 0.014 0.000 1.075 906 L CA 1.847 56.697 54.840 0.015 0.000 0.752 906 L CB -1.006 41.065 42.059 0.021 0.000 0.891 906 L HN 0.669 nan 8.230 nan 0.000 0.432 907 E N -0.126 120.080 120.200 0.009 0.000 2.208 907 E HA -0.053 4.296 4.350 -0.001 0.000 0.193 907 E C 2.220 178.822 176.600 0.004 0.000 0.988 907 E CA 1.088 57.493 56.400 0.008 0.000 0.828 907 E CB -0.464 29.240 29.700 0.005 0.000 0.763 907 E HN 0.641 nan 8.360 nan 0.000 0.478 908 A N 1.562 124.383 122.820 0.002 0.000 1.898 908 A HA 0.003 4.323 4.320 -0.001 0.000 0.216 908 A C 2.401 179.982 177.584 -0.005 0.000 1.181 908 A CA 1.750 53.786 52.037 -0.002 0.000 0.620 908 A CB -0.477 18.522 19.000 -0.002 0.000 0.819 908 A HN 0.257 nan 8.150 nan 0.000 0.442 909 A N -0.074 122.743 122.820 -0.004 0.000 1.845 909 A HA -0.149 4.170 4.320 -0.001 0.000 0.215 909 A C 2.191 179.770 177.584 -0.009 0.000 1.195 909 A CA 1.636 53.667 52.037 -0.010 0.000 0.616 909 A CB -0.560 18.439 19.000 -0.003 0.000 0.832 909 A HN 0.484 nan 8.150 nan 0.000 0.443 910 R N -0.582 119.920 120.500 0.004 0.000 2.133 910 R HA -0.201 4.138 4.340 -0.001 0.000 0.247 910 R C 1.950 178.253 176.300 0.005 0.000 1.151 910 R CA 1.669 57.774 56.100 0.009 0.000 0.971 910 R CB -0.359 29.951 30.300 0.017 0.000 0.866 910 R HN 0.648 nan 8.270 nan 0.000 0.447 911 D N 0.208 120.609 120.400 0.001 0.000 2.144 911 D HA -0.158 4.481 4.640 -0.001 0.000 0.200 911 D C 0.691 176.987 176.300 -0.006 0.000 0.978 911 D CA 0.951 54.951 54.000 -0.001 0.000 0.833 911 D CB -0.236 40.562 40.800 -0.003 0.000 0.961 911 D HN 0.034 nan 8.370 nan 0.000 0.470 912 N N 1.000 119.692 118.700 -0.014 0.000 2.597 912 N HA -0.000 4.739 4.740 -0.001 0.000 0.269 912 N C -0.793 174.700 175.510 -0.027 0.000 1.204 912 N CA -0.326 52.710 53.050 -0.024 0.000 0.947 912 N CB -0.225 38.241 38.487 -0.035 0.000 1.258 912 N HN 0.170 nan 8.380 nan 0.000 0.508 913 D N -0.759 119.640 120.400 -0.002 0.000 2.398 913 D HA -0.084 4.556 4.640 -0.001 0.000 0.247 913 D C 0.027 176.373 176.300 0.077 0.000 1.227 913 D CA -0.506 53.509 54.000 0.024 0.000 0.980 913 D CB 0.417 41.241 40.800 0.039 0.000 1.106 913 D HN 0.063 nan 8.370 nan 0.000 0.493 914 F N 0.725 120.631 119.950 -0.073 0.000 2.580 914 F HA 0.209 4.735 4.527 -0.001 0.000 0.398 914 F C -0.027 175.808 175.800 0.058 0.000 1.023 914 F CA -0.877 57.100 58.000 -0.039 0.000 1.188 914 F CB -0.266 38.644 39.000 -0.151 0.000 1.005 914 F HN 0.389 nan 8.300 nan 0.000 0.546 915 A N 8.165 130.779 122.820 -0.344 0.000 2.310 915 A HA 0.521 4.840 4.320 -0.001 0.000 0.300 915 A C -1.271 175.913 177.584 -0.667 0.000 1.269 915 A CA -0.249 51.567 52.037 -0.369 0.000 0.909 915 A CB -0.475 18.421 19.000 -0.174 0.000 1.144 915 A HN 0.732 nan 8.150 nan 0.000 0.540 916 F N 2.117 121.623 119.950 -0.740 0.000 2.628 916 F HA 0.407 4.934 4.527 -0.001 0.000 0.309 916 F C -1.079 174.444 175.800 -0.462 0.000 1.108 916 F CA -1.206 56.326 58.000 -0.779 0.000 0.971 916 F CB 1.889 40.143 39.000 -1.244 0.000 1.279 916 F HN 0.498 nan 8.300 nan 0.000 0.441 917 D N 4.294 124.056 120.400 -1.064 0.000 2.422 917 D HA 0.092 4.731 4.640 -0.001 0.000 0.227 917 D C 0.271 176.102 176.300 -0.782 0.000 1.190 917 D CA -0.008 53.595 54.000 -0.662 0.000 0.905 917 D CB 0.189 40.715 40.800 -0.457 0.000 1.034 917 D HN 0.553 nan 8.370 nan 0.000 0.507 918 W N 1.882 123.025 121.300 -0.262 0.000 2.519 918 W HA -0.069 4.591 4.660 -0.001 0.000 0.266 918 W C 2.042 178.584 176.519 0.038 0.000 1.253 918 W CA -0.133 57.221 57.345 0.015 0.000 1.274 918 W CB 0.166 29.724 29.460 0.163 0.000 1.114 918 W HN 0.395 nan 8.180 nan 0.000 0.596 919 Q N 0.060 119.954 119.800 0.156 0.000 2.119 919 Q HA -0.085 4.254 4.340 -0.001 0.000 0.201 919 Q C 2.311 178.351 176.000 0.066 0.000 0.972 919 Q CA 1.749 57.616 55.803 0.107 0.000 0.847 919 Q CB -1.128 27.642 28.738 0.055 0.000 0.903 919 Q HN 0.337 nan 8.270 nan 0.000 0.433 920 A N -0.714 122.104 122.820 -0.004 0.000 2.119 920 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 920 A C 0.555 178.181 177.584 0.069 0.000 1.152 920 A CA 0.129 52.163 52.037 -0.005 0.000 0.708 920 A CB -0.197 18.761 19.000 -0.071 0.000 0.805 920 A HN 0.283 nan 8.150 nan 0.000 0.460 921 Y N 0.031 120.312 120.300 -0.033 0.000 2.361 921 Y HA 0.518 5.067 4.550 -0.001 0.000 0.332 921 Y C -0.549 175.497 175.900 0.243 0.000 1.101 921 Y CA -0.488 57.681 58.100 0.114 0.000 1.137 921 Y CB 1.488 40.067 38.460 0.197 0.000 1.207 921 Y HN -0.088 nan 8.280 nan 0.000 0.463 922 T N 8.629 122.840 114.554 -0.573 0.000 2.934 922 T HA 0.326 4.675 4.350 -0.001 0.000 0.328 922 T C -2.687 171.672 174.700 -0.567 0.000 1.068 922 T CA -1.267 60.637 62.100 -0.327 0.000 1.018 922 T CB 0.959 69.765 68.868 -0.102 0.000 1.009 922 T HN 0.458 nan 8.240 nan 0.000 0.471 923 P HA 0.086 nan 4.420 nan 0.000 0.267 923 P C -2.446 174.975 177.300 0.202 0.000 1.195 923 P CA -0.870 62.327 63.100 0.162 0.000 0.773 923 P CB -0.089 31.940 31.700 0.547 0.000 0.837 924 P HA 0.034 nan 4.420 nan 0.000 0.276 924 P C -0.605 176.938 177.300 0.406 0.000 1.243 924 P CA 0.092 63.360 63.100 0.280 0.000 0.768 924 P CB 0.427 32.263 31.700 0.227 0.000 0.856 925 V N 3.278 123.325 119.914 0.221 0.000 2.740 925 V HA 0.182 4.301 4.120 -0.001 0.000 0.303 925 V C 1.217 177.171 176.094 -0.232 0.000 1.054 925 V CA -0.365 61.906 62.300 -0.048 0.000 1.106 925 V CB 0.206 32.056 31.823 0.046 0.000 0.957 925 V HN 0.703 nan 8.190 nan 0.000 0.486 926 A N 2.314 124.532 122.820 -1.004 0.000 2.451 926 A HA 0.185 4.505 4.320 -0.001 0.000 0.266 926 A C 1.020 178.443 177.584 -0.268 0.000 1.119 926 A CA -0.039 51.567 52.037 -0.717 0.000 0.786 926 A CB -0.462 17.892 19.000 -1.077 0.000 1.061 926 A HN 1.070 nan 8.150 nan 0.000 0.503 927 H N 2.196 121.188 119.070 -0.129 0.000 2.423 927 H HA 0.023 4.578 4.556 -0.001 0.000 0.297 927 H C 0.888 176.168 175.328 -0.081 0.000 1.075 927 H CA 2.054 58.063 56.048 -0.064 0.000 1.342 927 H CB 0.133 29.893 29.762 -0.003 0.000 1.395 927 H HN 0.600 nan 8.280 nan 0.000 0.530 928 R N 0.686 121.037 120.500 -0.249 0.000 2.576 928 R HA 0.255 4.595 4.340 -0.001 0.000 0.283 928 R C -1.144 174.982 176.300 -0.292 0.000 1.493 928 R CA -0.411 55.503 56.100 -0.311 0.000 1.170 928 R CB 0.208 30.366 30.300 -0.237 0.000 1.189 928 R HN 0.174 nan 8.270 nan 0.000 0.542 929 L N 2.370 123.438 121.223 -0.258 0.000 2.472 929 L HA 0.523 4.862 4.340 -0.001 0.000 0.260 929 L C 0.909 177.615 176.870 -0.273 0.000 1.209 929 L CA 0.851 55.542 54.840 -0.249 0.000 0.817 929 L CB 0.747 42.738 42.059 -0.113 0.000 1.106 929 L HN 0.898 nan 8.230 nan 0.000 0.479 930 G N 0.325 108.922 108.800 -0.338 0.000 2.707 930 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.686 930 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.686 930 G C -1.157 173.516 174.900 -0.379 0.000 1.315 930 G CA -0.954 43.975 45.100 -0.285 0.000 0.832 930 G HN 0.448 nan 8.290 nan 0.000 0.573 931 V N 2.056 121.830 119.914 -0.232 0.000 2.432 931 V HA 0.612 4.731 4.120 -0.001 0.000 0.275 931 V C 0.661 176.583 176.094 -0.287 0.000 1.043 931 V CA 0.233 62.387 62.300 -0.244 0.000 0.925 931 V CB 1.343 33.102 31.823 -0.105 0.000 0.985 931 V HN 0.928 nan 8.190 nan 0.000 0.466 932 Q N 3.360 122.948 119.800 -0.353 0.000 2.413 932 Q HA 0.469 4.808 4.340 -0.001 0.000 0.276 932 Q C -0.869 174.929 176.000 -0.337 0.000 1.099 932 Q CA -0.725 54.879 55.803 -0.331 0.000 0.814 932 Q CB 2.417 30.935 28.738 -0.367 0.000 1.379 932 Q HN 0.796 nan 8.270 nan 0.000 0.436 933 E N 2.172 122.230 120.200 -0.236 0.000 2.146 933 E HA 0.363 4.713 4.350 -0.001 0.000 0.282 933 E C -1.173 175.401 176.600 -0.042 0.000 0.989 933 E CA -0.489 55.823 56.400 -0.146 0.000 0.799 933 E CB 1.246 30.934 29.700 -0.020 0.000 1.088 933 E HN 0.405 nan 8.360 nan 0.000 0.397 934 V N 3.815 123.730 119.914 0.001 0.000 2.834 934 V HA 0.409 4.529 4.120 -0.001 0.000 0.313 934 V C -0.230 176.036 176.094 0.287 0.000 1.060 934 V CA -0.597 61.794 62.300 0.152 0.000 0.989 934 V CB 1.545 33.502 31.823 0.223 0.000 1.041 934 V HN 0.770 nan 8.190 nan 0.000 0.459 935 E N 1.820 122.216 120.200 0.325 0.000 2.321 935 E HA 0.835 5.184 4.350 -0.001 0.000 0.278 935 E C -1.133 175.526 176.600 0.098 0.000 0.902 935 E CA -1.021 55.539 56.400 0.267 0.000 0.758 935 E CB 2.405 32.185 29.700 0.134 0.000 1.213 935 E HN 0.891 nan 8.360 nan 0.000 0.426 936 A N 1.597 124.312 122.820 -0.176 0.000 2.488 936 A HA 0.613 4.932 4.320 -0.001 0.000 0.298 936 A C -0.331 177.004 177.584 -0.415 0.000 1.044 936 A CA -0.589 51.190 52.037 -0.430 0.000 0.693 936 A CB 1.605 20.083 19.000 -0.869 0.000 1.272 936 A HN 0.789 nan 8.150 nan 0.000 0.402 937 S N 1.375 116.894 115.700 -0.301 0.000 2.634 937 S HA 0.495 4.965 4.470 -0.001 0.000 0.261 937 S C 1.140 175.588 174.600 -0.254 0.000 1.271 937 S CA -0.287 57.780 58.200 -0.221 0.000 0.985 937 S CB 0.229 63.342 63.200 -0.146 0.000 0.968 937 S HN 0.579 nan 8.310 nan 0.000 0.568 938 I N 0.316 120.780 120.570 -0.176 0.000 2.286 938 I HA -0.138 4.031 4.170 -0.001 0.000 0.248 938 I C 2.766 178.796 176.117 -0.144 0.000 1.115 938 I CA 1.595 62.799 61.300 -0.160 0.000 1.392 938 I CB -0.468 37.468 38.000 -0.107 0.000 1.065 938 I HN 0.757 nan 8.210 nan 0.000 0.418 939 E N 0.599 120.727 120.200 -0.119 0.000 2.153 939 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 939 E C 2.030 178.567 176.600 -0.105 0.000 0.988 939 E CA 1.623 57.970 56.400 -0.089 0.000 0.811 939 E CB 0.001 29.659 29.700 -0.070 0.000 0.746 939 E HN 0.331 nan 8.360 nan 0.000 0.466 940 T N -0.100 114.345 114.554 -0.181 0.000 2.896 940 T HA 0.019 4.368 4.350 -0.001 0.000 0.263 940 T C 1.606 176.148 174.700 -0.262 0.000 1.050 940 T CA 0.778 62.729 62.100 -0.249 0.000 1.140 940 T CB -0.003 68.609 68.868 -0.426 0.000 0.877 940 T HN 0.123 nan 8.240 nan 0.000 0.457 941 L N 0.122 121.165 121.223 -0.300 0.000 2.375 941 L HA 0.180 4.519 4.340 -0.001 0.000 0.215 941 L C 2.654 179.503 176.870 -0.036 0.000 1.108 941 L CA 0.366 55.074 54.840 -0.220 0.000 0.830 941 L CB -0.372 41.481 42.059 -0.343 0.000 0.959 941 L HN 0.101 nan 8.230 nan 0.000 0.457 942 R N 1.058 121.521 120.500 -0.061 0.000 2.112 942 R HA -0.240 4.100 4.340 -0.001 0.000 0.242 942 R C 1.943 178.257 176.300 0.024 0.000 1.137 942 R CA 2.404 58.480 56.100 -0.040 0.000 0.944 942 R CB -0.733 29.567 30.300 -0.001 0.000 0.857 942 R HN 0.514 nan 8.270 nan 0.000 0.435 943 N N -0.646 118.093 118.700 0.063 0.000 2.192 943 N HA -0.213 4.527 4.740 -0.001 0.000 0.188 943 N C 1.008 176.482 175.510 -0.061 0.000 1.013 943 N CA 1.228 54.287 53.050 0.015 0.000 0.863 943 N CB -0.190 38.269 38.487 -0.048 0.000 0.990 943 N HN 0.291 nan 8.380 nan 0.000 0.430 944 Y N 0.846 121.133 120.300 -0.021 0.000 2.490 944 Y HA 0.255 4.804 4.550 -0.001 0.000 0.281 944 Y C 0.605 176.471 175.900 -0.057 0.000 1.174 944 Y CA -0.265 57.835 58.100 0.000 0.000 1.295 944 Y CB -0.035 38.447 38.460 0.036 0.000 1.062 944 Y HN -0.001 nan 8.280 nan 0.000 0.522 945 I N 1.200 121.741 120.570 -0.049 0.000 2.588 945 I HA -0.043 4.126 4.170 -0.001 0.000 0.283 945 I C -0.029 175.919 176.117 -0.280 0.000 1.119 945 I CA 0.084 61.204 61.300 -0.300 0.000 1.419 945 I CB 0.587 38.144 38.000 -0.738 0.000 1.394 945 I HN 0.056 nan 8.210 nan 0.000 0.562 946 D N 5.481 125.744 120.400 -0.227 0.000 2.454 946 D HA 0.149 4.789 4.640 -0.001 0.000 0.225 946 D C 0.266 176.525 176.300 -0.069 0.000 1.081 946 D CA -0.411 53.555 54.000 -0.056 0.000 0.864 946 D CB 0.563 41.397 40.800 0.057 0.000 1.040 946 D HN 0.332 nan 8.370 nan 0.000 0.517 947 W N 2.200 123.492 121.300 -0.014 0.000 2.518 947 W HA -0.043 4.617 4.660 -0.001 0.000 0.273 947 W C 2.228 178.890 176.519 0.238 0.000 1.247 947 W CA 0.406 57.716 57.345 -0.058 0.000 1.288 947 W CB -0.228 28.983 29.460 -0.414 0.000 1.107 947 W HN 0.346 nan 8.180 nan 0.000 0.586 948 T N 0.979 115.852 114.554 0.531 0.000 2.624 948 T HA -0.243 4.106 4.350 -0.001 0.000 0.268 948 T C -0.611 174.351 174.700 0.438 0.000 1.041 948 T CA 1.913 64.339 62.100 0.544 0.000 1.159 948 T CB -1.771 67.316 68.868 0.366 0.000 0.863 948 T HN 0.011 nan 8.240 nan 0.000 0.434 949 P HA -0.072 nan 4.420 nan 0.000 0.215 949 P C 1.317 178.765 177.300 0.247 0.000 1.153 949 P CA 0.743 63.977 63.100 0.223 0.000 0.853 949 P CB -0.207 31.586 31.700 0.155 0.000 0.788 950 F N -0.392 119.614 119.950 0.093 0.000 2.087 950 F HA -0.264 4.262 4.527 -0.001 0.000 0.299 950 F C 1.884 177.781 175.800 0.162 0.000 1.100 950 F CA 1.667 59.704 58.000 0.062 0.000 1.226 950 F CB -1.015 37.980 39.000 -0.008 0.000 0.983 950 F HN -0.203 nan 8.300 nan 0.000 0.479 951 F N 0.120 120.284 119.950 0.358 0.000 2.134 951 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 951 F C 2.489 178.368 175.800 0.132 0.000 1.097 951 F CA 1.681 59.808 58.000 0.211 0.000 1.264 951 F CB -1.064 38.095 39.000 0.265 0.000 1.001 951 F HN -0.033 nan 8.300 nan 0.000 0.479 952 M N -0.624 119.156 119.600 0.301 0.000 2.195 952 M HA -0.226 4.254 4.480 -0.001 0.000 0.260 952 M C 1.932 178.278 176.300 0.078 0.000 1.066 952 M CA 1.928 57.334 55.300 0.177 0.000 1.089 952 M CB -0.919 31.772 32.600 0.151 0.000 1.377 952 M HN 0.056 nan 8.290 nan 0.000 0.411 953 T N -1.427 113.117 114.554 -0.017 0.000 2.962 953 T HA -0.141 4.209 4.350 -0.001 0.000 0.270 953 T C 0.630 175.145 174.700 -0.309 0.000 1.088 953 T CA 1.008 62.982 62.100 -0.210 0.000 1.127 953 T CB -0.235 68.420 68.868 -0.356 0.000 0.883 953 T HN 0.549 nan 8.240 nan 0.000 0.493 954 W N 1.086 122.295 121.300 -0.151 0.000 3.239 954 W HA 0.404 5.063 4.660 -0.001 0.000 0.368 954 W C 0.640 177.182 176.519 0.039 0.000 1.154 954 W CA -0.477 56.816 57.345 -0.087 0.000 1.860 954 W CB -0.099 29.260 29.460 -0.168 0.000 1.094 954 W HN -0.059 nan 8.180 nan 0.000 0.643 955 S N 1.019 116.850 115.700 0.218 0.000 3.749 955 S HA -0.181 4.289 4.470 -0.001 0.000 0.348 955 S C -0.641 174.070 174.600 0.185 0.000 1.045 955 S CA 0.306 58.620 58.200 0.191 0.000 1.051 955 S CB -1.757 61.569 63.200 0.210 0.000 0.898 955 S HN 0.072 nan 8.310 nan 0.000 0.472 956 L N 1.338 122.671 121.223 0.183 0.000 2.366 956 L HA 0.704 5.044 4.340 -0.001 0.000 0.266 956 L C 0.518 177.438 176.870 0.082 0.000 1.010 956 L CA -0.074 54.819 54.840 0.088 0.000 0.879 956 L CB 0.736 42.860 42.059 0.108 0.000 1.228 956 L HN 0.437 nan 8.230 nan 0.000 0.439 957 A N 2.162 125.005 122.820 0.039 0.000 2.425 957 A HA 0.716 5.035 4.320 -0.001 0.000 0.242 957 A C 0.670 178.248 177.584 -0.009 0.000 1.077 957 A CA 0.623 52.684 52.037 0.040 0.000 0.781 957 A CB 0.064 19.084 19.000 0.033 0.000 1.020 957 A HN 1.126 nan 8.150 nan 0.000 0.494 958 G N 0.833 109.643 108.800 0.016 0.000 2.931 958 G HA2 0.128 4.087 3.960 -0.001 0.000 0.675 958 G HA3 0.128 4.087 3.960 -0.001 0.000 0.675 958 G C -0.567 174.344 174.900 0.017 0.000 1.339 958 G CA -0.268 44.819 45.100 -0.022 0.000 0.866 958 G HN 0.903 nan 8.290 nan 0.000 0.616 959 K N 1.077 121.499 120.400 0.035 0.000 2.295 959 K HA 0.384 4.703 4.320 -0.001 0.000 0.270 959 K C -0.432 176.217 176.600 0.082 0.000 1.011 959 K CA -0.491 55.857 56.287 0.103 0.000 0.953 959 K CB 0.723 33.271 32.500 0.079 0.000 0.956 959 K HN 0.617 nan 8.250 nan 0.000 0.477 960 Y N 5.175 125.532 120.300 0.094 0.000 2.310 960 Y HA 0.240 4.790 4.550 -0.001 0.000 0.326 960 Y C -1.741 174.195 175.900 0.059 0.000 1.151 960 Y CA -1.829 56.313 58.100 0.071 0.000 1.195 960 Y CB 1.352 40.035 38.460 0.372 0.000 1.210 960 Y HN 0.504 nan 8.280 nan 0.000 0.483 961 P HA 0.066 nan 4.420 nan 0.000 0.255 961 P C 0.896 177.853 177.300 -0.572 0.000 1.248 961 P CA 0.481 62.837 63.100 -1.241 0.000 0.807 961 P CB 0.184 31.084 31.700 -1.333 0.000 1.150 962 R N 0.310 120.615 120.500 -0.326 0.000 2.211 962 R HA -0.083 4.256 4.340 -0.001 0.000 0.240 962 R C 2.112 178.270 176.300 -0.237 0.000 1.144 962 R CA 0.759 56.723 56.100 -0.226 0.000 0.992 962 R CB -0.663 29.555 30.300 -0.136 0.000 0.869 962 R HN 0.195 nan 8.270 nan 0.000 0.462 963 I N 0.626 121.024 120.570 -0.287 0.000 2.394 963 I HA -0.261 3.909 4.170 -0.001 0.000 0.251 963 I C 1.569 177.480 176.117 -0.344 0.000 1.136 963 I CA 1.065 62.173 61.300 -0.321 0.000 1.425 963 I CB 0.082 37.811 38.000 -0.450 0.000 1.079 963 I HN 0.259 nan 8.210 nan 0.000 0.425 964 L N 0.325 121.322 121.223 -0.377 0.000 2.131 964 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 964 L C 1.773 178.511 176.870 -0.219 0.000 1.092 964 L CA 1.368 56.023 54.840 -0.308 0.000 0.759 964 L CB -0.571 41.280 42.059 -0.346 0.000 0.903 964 L HN 0.271 nan 8.230 nan 0.000 0.435 965 E N -0.369 119.708 120.200 -0.205 0.000 2.444 965 E HA -0.006 4.343 4.350 -0.001 0.000 0.191 965 E C -0.012 176.512 176.600 -0.126 0.000 1.041 965 E CA -0.263 56.048 56.400 -0.148 0.000 0.883 965 E CB 0.060 29.677 29.700 -0.138 0.000 1.024 965 E HN 0.379 nan 8.360 nan 0.000 0.470 966 D N 1.278 121.591 120.400 -0.146 0.000 2.382 966 D HA -0.058 4.582 4.640 -0.001 0.000 0.240 966 D C 1.171 177.415 176.300 -0.093 0.000 1.146 966 D CA 0.174 54.102 54.000 -0.120 0.000 0.897 966 D CB 0.990 41.704 40.800 -0.145 0.000 1.197 966 D HN -0.124 nan 8.370 nan 0.000 0.432 967 E N 1.690 121.851 120.200 -0.065 0.000 1.998 967 E HA -0.123 4.227 4.350 -0.001 0.000 0.195 967 E C 2.134 178.720 176.600 -0.024 0.000 0.994 967 E CA 0.982 57.360 56.400 -0.038 0.000 0.835 967 E CB -0.581 29.104 29.700 -0.024 0.000 0.786 967 E HN 0.385 nan 8.360 nan 0.000 0.467 968 V N 1.149 121.056 119.914 -0.011 0.000 2.255 968 V HA -0.157 3.962 4.120 -0.001 0.000 0.247 968 V C 2.245 178.346 176.094 0.011 0.000 1.051 968 V CA 1.591 63.921 62.300 0.049 0.000 1.018 968 V CB -0.221 31.644 31.823 0.069 0.000 0.641 968 V HN 0.112 nan 8.190 nan 0.000 0.445 969 V N -0.120 119.688 119.914 -0.176 0.000 3.319 969 V HA 0.400 4.519 4.120 -0.001 0.000 0.317 969 V C 1.850 177.752 176.094 -0.319 0.000 1.411 969 V CA 0.815 62.831 62.300 -0.473 0.000 1.112 969 V CB 0.167 31.607 31.823 -0.639 0.000 1.031 969 V HN 0.479 nan 8.190 nan 0.000 0.448 970 G N 0.434 109.119 108.800 -0.190 0.000 2.453 970 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.215 970 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.215 970 G C 1.496 176.316 174.900 -0.134 0.000 1.201 970 G CA 1.513 46.511 45.100 -0.169 0.000 0.784 970 G HN 0.382 nan 8.290 nan 0.000 0.545 971 V N 0.831 120.698 119.914 -0.078 0.000 2.255 971 V HA -0.169 3.951 4.120 -0.001 0.000 0.247 971 V C 2.866 178.947 176.094 -0.022 0.000 1.051 971 V CA 2.157 64.437 62.300 -0.034 0.000 1.018 971 V CB -0.447 31.381 31.823 0.008 0.000 0.641 971 V HN 0.282 nan 8.190 nan 0.000 0.445 972 E N 0.277 120.458 120.200 -0.032 0.000 2.085 972 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 972 E C 2.383 178.982 176.600 -0.002 0.000 0.994 972 E CA 1.575 57.973 56.400 -0.004 0.000 0.801 972 E CB -0.674 29.026 29.700 0.001 0.000 0.743 972 E HN 0.573 nan 8.360 nan 0.000 0.453 973 A N 1.351 124.129 122.820 -0.071 0.000 1.917 973 A HA -0.289 4.030 4.320 -0.001 0.000 0.219 973 A C 2.157 179.835 177.584 0.158 0.000 1.182 973 A CA 1.981 54.031 52.037 0.021 0.000 0.633 973 A CB -0.634 18.194 19.000 -0.286 0.000 0.819 973 A HN 0.284 nan 8.150 nan 0.000 0.448 974 Q N -0.745 119.074 119.800 0.032 0.000 2.084 974 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 974 Q C 2.385 178.469 176.000 0.141 0.000 0.978 974 Q CA 1.644 57.483 55.803 0.060 0.000 0.844 974 Q CB -0.219 28.514 28.738 -0.008 0.000 0.898 974 Q HN 0.620 nan 8.270 nan 0.000 0.426 975 R N 0.383 120.941 120.500 0.096 0.000 2.075 975 R HA -0.070 4.270 4.340 -0.001 0.000 0.232 975 R C 2.394 178.755 176.300 0.101 0.000 1.126 975 R CA 0.907 57.057 56.100 0.082 0.000 0.963 975 R CB -0.481 29.847 30.300 0.046 0.000 0.858 975 R HN 0.291 nan 8.270 nan 0.000 0.435 976 L N 0.291 121.586 121.223 0.121 0.000 2.012 976 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 976 L C 2.335 179.300 176.870 0.159 0.000 1.073 976 L CA 1.528 56.412 54.840 0.074 0.000 0.748 976 L CB -0.321 41.751 42.059 0.022 0.000 0.891 976 L HN 0.114 nan 8.230 nan 0.000 0.431 977 F N 0.884 120.887 119.950 0.089 0.000 2.095 977 F HA -0.313 4.213 4.527 -0.001 0.000 0.298 977 F C 2.669 178.350 175.800 -0.199 0.000 1.104 977 F CA 1.923 59.837 58.000 -0.143 0.000 1.232 977 F CB -0.262 38.702 39.000 -0.060 0.000 0.987 977 F HN -0.053 nan 8.300 nan 0.000 0.475 978 K N 0.532 120.983 120.400 0.085 0.000 2.026 978 K HA -0.200 4.120 4.320 -0.001 0.000 0.208 978 K C 1.759 178.314 176.600 -0.075 0.000 1.048 978 K CA 2.047 58.325 56.287 -0.015 0.000 0.929 978 K CB -0.731 31.809 32.500 0.067 0.000 0.713 978 K HN 0.264 nan 8.250 nan 0.000 0.439 979 D N 0.277 120.667 120.400 -0.016 0.000 2.104 979 D HA -0.125 4.515 4.640 -0.001 0.000 0.194 979 D C 1.751 178.030 176.300 -0.036 0.000 0.994 979 D CA 1.635 55.642 54.000 0.012 0.000 0.830 979 D CB -0.185 40.669 40.800 0.090 0.000 0.959 979 D HN 0.301 nan 8.370 nan 0.000 0.452 980 A N 0.725 123.490 122.820 -0.091 0.000 1.859 980 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 980 A C 2.017 179.493 177.584 -0.180 0.000 1.198 980 A CA 2.227 54.184 52.037 -0.133 0.000 0.629 980 A CB -1.085 17.733 19.000 -0.303 0.000 0.830 980 A HN 0.250 nan 8.150 nan 0.000 0.446 981 N N 0.283 118.771 118.700 -0.354 0.000 2.205 981 N HA -0.132 4.608 4.740 -0.001 0.000 0.186 981 N C 1.130 176.564 175.510 -0.126 0.000 1.015 981 N CA 1.462 54.352 53.050 -0.267 0.000 0.862 981 N CB -0.235 37.995 38.487 -0.428 0.000 0.986 981 N HN 0.475 nan 8.380 nan 0.000 0.429 982 D N 0.140 120.483 120.400 -0.094 0.000 2.144 982 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 982 D C 1.794 178.086 176.300 -0.013 0.000 0.984 982 D CA 0.700 54.677 54.000 -0.038 0.000 0.834 982 D CB -0.157 40.634 40.800 -0.015 0.000 0.955 982 D HN 0.345 nan 8.370 nan 0.000 0.465 983 M N 0.027 119.623 119.600 -0.006 0.000 2.132 983 M HA -0.093 4.387 4.480 -0.001 0.000 0.263 983 M C 1.996 178.301 176.300 0.010 0.000 1.065 983 M CA 1.004 56.320 55.300 0.026 0.000 1.122 983 M CB 0.063 32.691 32.600 0.045 0.000 1.365 983 M HN -0.050 nan 8.290 nan 0.000 0.411 984 L N 0.208 121.419 121.223 -0.021 0.000 2.079 984 L HA -0.272 4.068 4.340 -0.001 0.000 0.210 984 L C 2.000 178.855 176.870 -0.027 0.000 1.081 984 L CA 1.253 56.074 54.840 -0.032 0.000 0.752 984 L CB -0.894 41.136 42.059 -0.048 0.000 0.896 984 L HN 0.364 nan 8.230 nan 0.000 0.433 985 D N -0.124 120.261 120.400 -0.025 0.000 2.144 985 D HA -0.214 4.425 4.640 -0.001 0.000 0.199 985 D C 2.057 178.353 176.300 -0.007 0.000 0.984 985 D CA 1.223 55.212 54.000 -0.018 0.000 0.834 985 D CB 0.058 40.848 40.800 -0.017 0.000 0.955 985 D HN 0.285 nan 8.370 nan 0.000 0.465 986 K N 0.808 121.211 120.400 0.005 0.000 2.001 986 K HA -0.081 4.239 4.320 -0.001 0.000 0.208 986 K C 2.417 179.024 176.600 0.011 0.000 1.048 986 K CA 0.654 56.950 56.287 0.016 0.000 0.932 986 K CB -0.158 32.364 32.500 0.038 0.000 0.715 986 K HN 0.012 nan 8.250 nan 0.000 0.437 987 L N 0.433 121.663 121.223 0.013 0.000 2.042 987 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 987 L C 2.684 179.546 176.870 -0.014 0.000 1.076 987 L CA 1.474 56.316 54.840 0.004 0.000 0.749 987 L CB -0.634 41.428 42.059 0.005 0.000 0.893 987 L HN 0.289 nan 8.230 nan 0.000 0.432 988 S N -0.617 115.069 115.700 -0.023 0.000 2.368 988 S HA -0.176 4.293 4.470 -0.001 0.000 0.225 988 S C 2.076 176.662 174.600 -0.025 0.000 1.030 988 S CA 1.244 59.424 58.200 -0.034 0.000 0.999 988 S CB -0.104 63.072 63.200 -0.040 0.000 0.844 988 S HN 0.446 nan 8.310 nan 0.000 0.459 989 A N 1.327 124.138 122.820 -0.015 0.000 1.832 989 A HA -0.059 4.260 4.320 -0.001 0.000 0.214 989 A C 1.879 179.458 177.584 -0.008 0.000 1.200 989 A CA 1.576 53.606 52.037 -0.011 0.000 0.610 989 A CB -0.884 18.113 19.000 -0.005 0.000 0.842 989 A HN 0.669 nan 8.150 nan 0.000 0.444 990 E N -0.272 119.925 120.200 -0.004 0.000 2.472 990 E HA -0.078 4.271 4.350 -0.001 0.000 0.200 990 E C -0.339 176.258 176.600 -0.006 0.000 1.046 990 E CA 0.334 56.732 56.400 -0.003 0.000 0.871 990 E CB -0.006 29.695 29.700 0.001 0.000 0.806 990 E HN 0.273 nan 8.360 nan 0.000 0.533 991 K N -0.009 120.385 120.400 -0.011 0.000 3.096 991 K HA -0.174 4.145 4.320 -0.001 0.000 0.266 991 K C 0.644 177.239 176.600 -0.010 0.000 1.043 991 K CA 1.250 57.529 56.287 -0.013 0.000 0.758 991 K CB -2.667 29.826 32.500 -0.011 0.000 1.260 991 K HN 0.379 nan 8.250 nan 0.000 0.481 992 T N -2.400 112.148 114.554 -0.009 0.000 3.067 992 T HA 0.130 4.479 4.350 -0.001 0.000 0.257 992 T C 0.806 175.501 174.700 -0.010 0.000 1.105 992 T CA 0.027 62.121 62.100 -0.010 0.000 1.104 992 T CB 0.271 69.131 68.868 -0.012 0.000 0.925 992 T HN 0.187 nan 8.240 nan 0.000 0.498 993 L N 2.185 123.401 121.223 -0.011 0.000 2.406 993 L HA 0.567 4.906 4.340 -0.001 0.000 0.270 993 L C -2.060 174.797 176.870 -0.021 0.000 0.982 993 L CA -0.830 54.001 54.840 -0.014 0.000 0.843 993 L CB 1.554 43.606 42.059 -0.011 0.000 1.225 993 L HN -0.060 nan 8.230 nan 0.000 0.412 994 N N 5.985 124.677 118.700 -0.013 0.000 2.442 994 N HA 0.582 5.321 4.740 -0.001 0.000 0.274 994 N C -2.735 172.781 175.510 0.010 0.000 1.002 994 N CA -1.423 51.619 53.050 -0.012 0.000 0.910 994 N CB 1.715 40.203 38.487 0.001 0.000 1.244 994 N HN 0.334 nan 8.380 nan 0.000 0.492 995 P HA 0.281 nan 4.420 nan 0.000 0.272 995 P C -0.596 176.845 177.300 0.235 0.000 1.223 995 P CA -0.175 62.983 63.100 0.096 0.000 0.784 995 P CB 0.871 32.547 31.700 -0.040 0.000 0.923 996 R N 0.640 121.364 120.500 0.374 0.000 2.836 996 R HA 0.874 5.213 4.340 -0.001 0.000 0.269 996 R C -0.622 175.772 176.300 0.156 0.000 1.010 996 R CA -0.780 55.510 56.100 0.316 0.000 0.930 996 R CB 2.436 32.816 30.300 0.132 0.000 1.218 996 R HN 0.681 nan 8.270 nan 0.000 0.473 997 G N -0.089 108.699 108.800 -0.019 0.000 2.579 997 G HA2 0.447 4.406 3.960 -0.001 0.000 0.292 997 G HA3 0.447 4.406 3.960 -0.001 0.000 0.292 997 G C -2.123 172.661 174.900 -0.194 0.000 1.484 997 G CA -0.444 44.457 45.100 -0.332 0.000 0.813 997 G HN 0.427 nan 8.290 nan 0.000 0.515 998 V N 0.565 120.342 119.914 -0.228 0.000 2.709 998 V HA 0.846 4.966 4.120 -0.001 0.000 0.308 998 V C -1.044 174.942 176.094 -0.181 0.000 1.062 998 V CA -0.674 61.492 62.300 -0.223 0.000 0.901 998 V CB 1.492 33.158 31.823 -0.262 0.000 1.003 998 V HN 1.234 nan 8.190 nan 0.000 0.425 999 V N 5.589 125.395 119.914 -0.181 0.000 2.960 999 V HA 1.066 5.185 4.120 -0.001 0.000 0.315 999 V C 0.152 176.133 176.094 -0.188 0.000 1.087 999 V CA 0.439 62.681 62.300 -0.096 0.000 0.982 999 V CB 2.132 33.905 31.823 -0.084 0.000 1.039 999 V HN 1.409 nan 8.190 nan 0.000 0.437 1000 G N 4.476 113.198 108.800 -0.129 0.000 2.766 1000 G HA2 0.607 4.566 3.960 -0.001 0.000 0.297 1000 G HA3 0.607 4.566 3.960 -0.001 0.000 0.297 1000 G C -2.058 172.478 174.900 -0.606 0.000 1.431 1000 G CA -0.596 44.258 45.100 -0.409 0.000 1.042 1000 G HN 0.769 nan 8.290 nan 0.000 0.542 1001 L N 1.085 121.737 121.223 -0.953 0.000 2.365 1001 L HA 0.748 5.087 4.340 -0.001 0.000 0.273 1001 L C -0.992 175.267 176.870 -1.019 0.000 1.000 1001 L CA -0.808 53.583 54.840 -0.748 0.000 0.819 1001 L CB 1.965 43.692 42.059 -0.553 0.000 1.284 1001 L HN 0.469 nan 8.230 nan 0.000 0.418 1002 F N 1.539 121.459 119.950 -0.049 0.000 2.599 1002 F HA 0.556 5.082 4.527 -0.001 0.000 0.311 1002 F C -2.469 173.342 175.800 0.018 0.000 1.076 1002 F CA -2.601 55.399 58.000 -0.001 0.000 0.937 1002 F CB 1.419 40.408 39.000 -0.018 0.000 1.282 1002 F HN 0.194 nan 8.300 nan 0.000 0.460 1003 P HA 0.488 nan 4.420 nan 0.000 0.281 1003 P C -1.139 176.145 177.300 -0.027 0.000 1.252 1003 P CA -0.026 63.047 63.100 -0.044 0.000 0.778 1003 P CB 1.200 32.924 31.700 0.040 0.000 0.895 1004 A N 3.574 126.314 122.820 -0.134 0.000 2.583 1004 A HA 0.797 5.117 4.320 -0.001 0.000 0.289 1004 A C -1.306 176.236 177.584 -0.070 0.000 1.151 1004 A CA -0.555 51.362 52.037 -0.199 0.000 0.695 1004 A CB 1.327 20.205 19.000 -0.203 0.000 1.290 1004 A HN 0.558 nan 8.150 nan 0.000 0.419 1005 N N -0.720 117.917 118.700 -0.104 0.000 2.598 1005 N HA 0.412 5.151 4.740 -0.001 0.000 0.263 1005 N C -1.037 174.411 175.510 -0.104 0.000 1.254 1005 N CA -0.813 52.208 53.050 -0.049 0.000 0.863 1005 N CB 1.799 40.335 38.487 0.082 0.000 1.586 1005 N HN 0.711 nan 8.380 nan 0.000 0.491 1006 R N 1.172 121.593 120.500 -0.132 0.000 2.441 1006 R HA 0.567 4.907 4.340 -0.001 0.000 0.284 1006 R C -1.105 175.143 176.300 -0.087 0.000 1.070 1006 R CA -0.319 55.713 56.100 -0.113 0.000 1.047 1006 R CB 0.564 30.784 30.300 -0.135 0.000 1.016 1006 R HN 0.441 nan 8.270 nan 0.000 0.477 1007 V N 1.702 121.580 119.914 -0.060 0.000 2.595 1007 V HA 0.529 4.648 4.120 -0.001 0.000 0.269 1007 V C 0.330 176.414 176.094 -0.017 0.000 0.982 1007 V CA -0.013 62.264 62.300 -0.039 0.000 0.873 1007 V CB 0.406 32.207 31.823 -0.036 0.000 1.051 1007 V HN 1.145 nan 8.190 nan 0.000 0.466 1008 G N 4.038 112.833 108.800 -0.008 0.000 2.523 1008 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.271 1008 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.271 1008 G C 0.001 174.919 174.900 0.031 0.000 1.146 1008 G CA 0.603 45.712 45.100 0.015 0.000 0.961 1008 G HN 0.805 nan 8.290 nan 0.000 0.549 1009 D N 2.530 122.967 120.400 0.062 0.000 2.491 1009 D HA 0.425 5.064 4.640 -0.001 0.000 0.228 1009 D C -0.171 176.210 176.300 0.136 0.000 1.183 1009 D CA 0.413 54.475 54.000 0.102 0.000 0.827 1009 D CB 0.345 41.225 40.800 0.133 0.000 0.989 1009 D HN 0.352 nan 8.370 nan 0.000 0.494 1010 D N -0.184 120.255 120.400 0.066 0.000 2.523 1010 D HA 0.394 5.034 4.640 -0.001 0.000 0.236 1010 D C -0.292 175.977 176.300 -0.052 0.000 1.094 1010 D CA -0.533 53.470 54.000 0.006 0.000 0.942 1010 D CB 2.135 42.894 40.800 -0.069 0.000 1.447 1010 D HN -0.202 nan 8.370 nan 0.000 0.479 1011 I N 0.970 121.456 120.570 -0.140 0.000 2.406 1011 I HA 0.275 4.444 4.170 -0.001 0.000 0.290 1011 I C 0.028 175.956 176.117 -0.315 0.000 0.999 1011 I CA -0.542 60.639 61.300 -0.200 0.000 1.124 1011 I CB 1.389 39.251 38.000 -0.231 0.000 1.289 1011 I HN 0.257 nan 8.210 nan 0.000 0.441 1012 E N 5.621 125.613 120.200 -0.347 0.000 2.146 1012 E HA 0.400 4.749 4.350 -0.001 0.000 0.282 1012 E C -0.682 175.426 176.600 -0.819 0.000 0.989 1012 E CA -0.647 55.441 56.400 -0.520 0.000 0.799 1012 E CB 1.624 31.047 29.700 -0.462 0.000 1.088 1012 E HN 0.298 nan 8.360 nan 0.000 0.397 1013 I N 3.978 124.152 120.570 -0.660 0.000 2.353 1013 I HA 0.229 4.398 4.170 -0.001 0.000 0.293 1013 I C -0.283 175.484 176.117 -0.583 0.000 0.992 1013 I CA -0.576 60.389 61.300 -0.558 0.000 1.268 1013 I CB -0.196 37.584 38.000 -0.366 0.000 1.387 1013 I HN 0.421 nan 8.210 nan 0.000 0.478 1014 Y N 4.017 124.285 120.300 -0.053 0.000 2.528 1014 Y HA 0.444 4.993 4.550 -0.001 0.000 0.335 1014 Y C 1.504 177.428 175.900 0.041 0.000 1.093 1014 Y CA -1.022 57.062 58.100 -0.026 0.000 1.134 1014 Y CB 0.984 39.425 38.460 -0.031 0.000 1.253 1014 Y HN 0.449 nan 8.280 nan 0.000 0.478 1015 R N 0.313 120.969 120.500 0.259 0.000 2.081 1015 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 1015 R C -0.705 175.695 176.300 0.168 0.000 1.131 1015 R CA 2.193 58.417 56.100 0.206 0.000 0.960 1015 R CB -0.077 30.359 30.300 0.227 0.000 0.856 1015 R HN 1.002 nan 8.270 nan 0.000 0.436 1016 D N -2.980 117.512 120.400 0.153 0.000 2.759 1016 D HA 0.057 4.696 4.640 -0.001 0.000 0.321 1016 D C 0.039 176.390 176.300 0.084 0.000 1.267 1016 D CA -0.705 53.359 54.000 0.107 0.000 0.933 1016 D CB 0.075 40.914 40.800 0.066 0.000 1.431 1016 D HN -0.267 nan 8.370 nan 0.000 0.504 1017 E N -0.540 119.696 120.200 0.059 0.000 2.401 1017 E HA -0.100 4.249 4.350 -0.001 0.000 0.199 1017 E C 1.629 178.211 176.600 -0.030 0.000 1.023 1017 E CA 1.541 57.959 56.400 0.029 0.000 0.859 1017 E CB -0.475 29.260 29.700 0.058 0.000 0.780 1017 E HN 0.692 nan 8.360 nan 0.000 0.523 1018 T N -1.710 112.824 114.554 -0.035 0.000 3.035 1018 T HA -0.088 4.261 4.350 -0.001 0.000 0.268 1018 T C 0.867 175.470 174.700 -0.161 0.000 1.109 1018 T CA 0.136 62.196 62.100 -0.068 0.000 1.119 1018 T CB -0.187 68.657 68.868 -0.040 0.000 0.900 1018 T HN 0.096 nan 8.240 nan 0.000 0.503 1019 R N 1.031 121.395 120.500 -0.227 0.000 3.251 1019 R HA -0.144 4.195 4.340 -0.001 0.000 0.249 1019 R C 0.940 176.937 176.300 -0.506 0.000 0.949 1019 R CA 0.841 56.564 56.100 -0.628 0.000 0.645 1019 R CB -2.487 27.339 30.300 -0.790 0.000 1.065 1019 R HN 0.786 nan 8.270 nan 0.000 0.452 1020 T N -5.224 109.205 114.554 -0.209 0.000 2.959 1020 T HA 0.043 4.392 4.350 -0.001 0.000 0.254 1020 T C 0.252 174.984 174.700 0.053 0.000 1.003 1020 T CA 0.103 62.149 62.100 -0.089 0.000 0.950 1020 T CB 0.302 69.149 68.868 -0.035 0.000 1.090 1020 T HN 0.480 nan 8.240 nan 0.000 0.503 1021 H N 0.905 119.982 119.070 0.012 0.000 2.727 1021 H HA 0.632 5.188 4.556 -0.001 0.000 0.330 1021 H C -1.284 174.166 175.328 0.203 0.000 0.986 1021 H CA -0.668 55.428 56.048 0.081 0.000 1.251 1021 H CB 1.604 31.396 29.762 0.050 0.000 1.493 1021 H HN 0.038 nan 8.280 nan 0.000 0.515 1022 V N 8.312 128.105 119.914 -0.202 0.000 2.427 1022 V HA 0.023 4.142 4.120 -0.001 0.000 0.268 1022 V C 1.692 177.533 176.094 -0.422 0.000 1.046 1022 V CA 0.360 62.558 62.300 -0.170 0.000 0.970 1022 V CB 0.146 31.885 31.823 -0.140 0.000 1.001 1022 V HN 0.877 nan 8.190 nan 0.000 0.476 1023 I N 1.329 121.756 120.570 -0.238 0.000 3.645 1023 I HA 0.370 4.539 4.170 -0.001 0.000 0.300 1023 I C 0.688 176.714 176.117 -0.152 0.000 1.260 1023 I CA 0.613 61.820 61.300 -0.155 0.000 1.365 1023 I CB 0.238 38.224 38.000 -0.024 0.000 1.077 1023 I HN 0.551 nan 8.210 nan 0.000 0.439 1024 N N -0.001 118.576 118.700 -0.205 0.000 3.046 1024 N HA 0.477 5.216 4.740 -0.001 0.000 0.243 1024 N C -1.731 173.627 175.510 -0.253 0.000 1.452 1024 N CA -0.315 52.621 53.050 -0.190 0.000 0.882 1024 N CB 3.454 41.827 38.487 -0.189 0.000 1.425 1024 N HN -0.145 nan 8.380 nan 0.000 0.517 1025 V N 0.902 120.660 119.914 -0.260 0.000 2.567 1025 V HA 0.276 4.396 4.120 -0.001 0.000 0.298 1025 V C -0.244 175.478 176.094 -0.620 0.000 1.047 1025 V CA -0.672 61.374 62.300 -0.422 0.000 0.880 1025 V CB 1.570 33.142 31.823 -0.419 0.000 1.009 1025 V HN 0.671 nan 8.190 nan 0.000 0.429 1026 S N 5.203 120.554 115.700 -0.581 0.000 2.422 1026 S HA 0.375 4.844 4.470 -0.001 0.000 0.283 1026 S C -0.091 174.092 174.600 -0.696 0.000 1.163 1026 S CA -0.514 57.295 58.200 -0.652 0.000 1.054 1026 S CB -0.163 62.505 63.200 -0.887 0.000 0.967 1026 S HN 0.704 nan 8.310 nan 0.000 0.499 1027 H N 4.431 123.309 119.070 -0.321 0.000 2.511 1027 H HA 0.427 4.983 4.556 -0.001 0.000 0.346 1027 H C -0.019 175.092 175.328 -0.363 0.000 1.128 1027 H CA -0.202 55.736 56.048 -0.183 0.000 1.342 1027 H CB 0.722 30.440 29.762 -0.073 0.000 1.470 1027 H HN 0.668 nan 8.280 nan 0.000 0.546 1028 H N 1.033 120.266 119.070 0.272 0.000 2.980 1028 H HA 0.341 4.897 4.556 -0.001 0.000 0.367 1028 H C -0.062 175.355 175.328 0.149 0.000 1.206 1028 H CA -0.578 55.572 56.048 0.170 0.000 1.126 1028 H CB 2.075 31.893 29.762 0.093 0.000 1.838 1028 H HN 0.369 nan 8.280 nan 0.000 0.552 1029 L N 0.575 121.904 121.223 0.176 0.000 2.397 1029 L HA 0.613 4.952 4.340 -0.001 0.000 0.266 1029 L C 0.327 177.256 176.870 0.099 0.000 1.040 1029 L CA -0.843 54.035 54.840 0.063 0.000 0.800 1029 L CB 1.322 43.344 42.059 -0.062 0.000 1.324 1029 L HN 0.314 nan 8.230 nan 0.000 0.469 1030 R N 0.109 120.650 120.500 0.068 0.000 2.725 1030 R HA 0.305 4.644 4.340 -0.001 0.000 0.277 1030 R C -1.215 175.116 176.300 0.053 0.000 0.987 1030 R CA -0.680 55.458 56.100 0.063 0.000 0.901 1030 R CB 1.916 32.244 30.300 0.048 0.000 1.207 1030 R HN 0.577 nan 8.270 nan 0.000 0.463 1031 Q N 1.698 121.530 119.800 0.055 0.000 2.330 1031 Q HA -0.056 4.284 4.340 -0.001 0.000 0.279 1031 Q C -0.199 175.812 176.000 0.018 0.000 1.024 1031 Q CA 0.825 56.655 55.803 0.046 0.000 0.900 1031 Q CB 0.967 29.727 28.738 0.036 0.000 1.221 1031 Q HN 0.460 nan 8.270 nan 0.000 0.396 1032 Q N 1.437 121.252 119.800 0.026 0.000 2.182 1032 Q HA 0.169 4.508 4.340 -0.001 0.000 0.305 1032 Q C -1.084 174.926 176.000 0.015 0.000 0.880 1032 Q CA -0.070 55.745 55.803 0.020 0.000 1.131 1032 Q CB 0.996 29.754 28.738 0.034 0.000 1.237 1032 Q HN 0.545 nan 8.270 nan 0.000 0.447 1033 T N 0.040 114.596 114.554 0.004 0.000 2.859 1033 T HA 0.155 4.505 4.350 -0.001 0.000 0.281 1033 T C -0.418 174.274 174.700 -0.013 0.000 1.005 1033 T CA -0.631 61.470 62.100 0.001 0.000 1.025 1033 T CB 1.739 70.608 68.868 0.001 0.000 0.977 1033 T HN 0.210 nan 8.240 nan 0.000 0.458 1034 E N 3.120 123.316 120.200 -0.006 0.000 2.383 1034 E HA -0.008 4.341 4.350 -0.001 0.000 0.257 1034 E C -0.390 176.203 176.600 -0.012 0.000 1.079 1034 E CA 0.080 56.475 56.400 -0.008 0.000 0.934 1034 E CB 0.219 29.919 29.700 -0.000 0.000 0.978 1034 E HN 0.251 nan 8.360 nan 0.000 0.462 1035 K N 3.363 123.751 120.400 -0.020 0.000 2.203 1035 K HA 0.405 4.724 4.320 -0.001 0.000 0.251 1035 K C -0.769 175.850 176.600 0.030 0.000 0.944 1035 K CA -0.727 55.553 56.287 -0.012 0.000 0.829 1035 K CB 2.117 34.578 32.500 -0.065 0.000 1.125 1035 K HN 0.419 nan 8.250 nan 0.000 0.430 1036 T N -0.856 113.755 114.554 0.095 0.000 2.928 1036 T HA 0.458 4.808 4.350 -0.001 0.000 0.296 1036 T C 0.800 175.628 174.700 0.213 0.000 1.000 1036 T CA -0.153 62.011 62.100 0.105 0.000 0.989 1036 T CB 1.643 70.558 68.868 0.078 0.000 1.005 1036 T HN 0.772 nan 8.240 nan 0.000 0.442 1037 G N 1.939 110.789 108.800 0.083 0.000 2.267 1037 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.257 1037 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.257 1037 G C -0.199 174.518 174.900 -0.305 0.000 0.998 1037 G CA -0.026 45.032 45.100 -0.070 0.000 0.620 1037 G HN 0.629 nan 8.290 nan 0.000 0.529 1038 F N 1.128 121.044 119.950 -0.056 0.000 2.551 1038 F HA 0.805 5.331 4.527 -0.001 0.000 0.316 1038 F C 0.547 176.194 175.800 -0.255 0.000 1.089 1038 F CA -0.784 57.147 58.000 -0.115 0.000 0.915 1038 F CB 1.869 40.803 39.000 -0.111 0.000 1.186 1038 F HN 0.328 nan 8.300 nan 0.000 0.456 1039 A N 1.513 124.227 122.820 -0.177 0.000 2.386 1039 A HA 0.330 4.650 4.320 -0.001 0.000 0.248 1039 A C -0.100 177.130 177.584 -0.590 0.000 1.082 1039 A CA -0.563 51.316 52.037 -0.264 0.000 0.789 1039 A CB -0.034 18.926 19.000 -0.065 0.000 1.025 1039 A HN 0.800 nan 8.150 nan 0.000 0.490 1040 N N 1.492 119.998 118.700 -0.323 0.000 2.819 1040 N HA 0.286 5.025 4.740 -0.001 0.000 0.284 1040 N C -1.094 174.287 175.510 -0.216 0.000 1.196 1040 N CA 0.184 53.064 53.050 -0.283 0.000 1.114 1040 N CB -0.509 37.907 38.487 -0.118 0.000 1.437 1040 N HN 0.517 nan 8.380 nan 0.000 0.518 1041 Y N -0.097 120.118 120.300 -0.142 0.000 3.142 1041 Y HA -0.132 4.417 4.550 -0.001 0.000 0.347 1041 Y C 1.174 177.011 175.900 -0.105 0.000 1.269 1041 Y CA -0.485 57.488 58.100 -0.210 0.000 1.560 1041 Y CB -0.058 38.189 38.460 -0.355 0.000 1.220 1041 Y HN 0.306 nan 8.280 nan 0.000 0.626 1042 C N 5.135 124.439 119.300 0.006 0.000 2.832 1042 C HA 0.332 4.791 4.460 -0.001 0.000 0.383 1042 C C 1.003 175.902 174.990 -0.152 0.000 1.046 1042 C CA -1.046 57.961 59.018 -0.019 0.000 1.242 1042 C CB -0.371 27.364 27.740 -0.009 0.000 1.693 1042 C HN 1.005 nan 8.230 nan 0.000 0.497 1043 L N 3.972 125.116 121.223 -0.132 0.000 2.137 1043 L HA -0.169 4.171 4.340 -0.001 0.000 0.213 1043 L C 2.670 179.442 176.870 -0.163 0.000 1.085 1043 L CA 2.237 56.919 54.840 -0.263 0.000 0.760 1043 L CB -0.352 41.311 42.059 -0.660 0.000 0.893 1043 L HN 0.948 nan 8.230 nan 0.000 0.434 1044 A N -0.225 122.495 122.820 -0.167 0.000 1.933 1044 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 1044 A C 1.832 179.417 177.584 0.001 0.000 1.175 1044 A CA 1.966 54.005 52.037 0.003 0.000 0.628 1044 A CB -0.518 18.512 19.000 0.051 0.000 0.814 1044 A HN 0.363 nan 8.150 nan 0.000 0.444 1045 D N -0.419 119.899 120.400 -0.135 0.000 2.190 1045 D HA -0.153 4.487 4.640 -0.001 0.000 0.200 1045 D C 0.923 177.227 176.300 0.005 0.000 0.992 1045 D CA 1.072 55.008 54.000 -0.106 0.000 0.854 1045 D CB -0.469 40.188 40.800 -0.237 0.000 0.936 1045 D HN 0.508 nan 8.370 nan 0.000 0.462 1046 F N 0.178 120.223 119.950 0.157 0.000 2.802 1046 F HA 0.088 4.615 4.527 -0.001 0.000 0.302 1046 F C 0.518 176.534 175.800 0.361 0.000 1.211 1046 F CA -0.005 58.071 58.000 0.128 0.000 1.431 1046 F CB -0.379 38.643 39.000 0.037 0.000 1.114 1046 F HN -0.287 nan 8.300 nan 0.000 0.567 1047 V N -0.291 119.848 119.914 0.375 0.000 2.588 1047 V HA 0.672 4.791 4.120 -0.001 0.000 0.304 1047 V C 0.224 176.086 176.094 -0.387 0.000 1.042 1047 V CA -1.923 60.487 62.300 0.182 0.000 0.877 1047 V CB 1.313 33.203 31.823 0.112 0.000 0.996 1047 V HN 0.076 nan 8.190 nan 0.000 0.425 1048 A N 7.281 129.669 122.820 -0.719 0.000 2.548 1048 A HA 0.445 4.764 4.320 -0.001 0.000 0.247 1048 A C -1.958 175.237 177.584 -0.650 0.000 1.067 1048 A CA -0.580 50.670 52.037 -1.311 0.000 0.757 1048 A CB -0.338 18.368 19.000 -0.490 0.000 0.996 1048 A HN 0.628 nan 8.150 nan 0.000 0.504 1049 P HA 0.078 nan 4.420 nan 0.000 0.272 1049 P C 0.475 177.663 177.300 -0.187 0.000 1.223 1049 P CA -0.339 62.569 63.100 -0.321 0.000 0.784 1049 P CB 0.932 32.461 31.700 -0.284 0.000 0.923 1050 K N 1.266 121.609 120.400 -0.095 0.000 2.020 1050 K HA -0.140 4.179 4.320 -0.001 0.000 0.212 1050 K C 2.018 178.583 176.600 -0.057 0.000 1.050 1050 K CA 1.631 57.891 56.287 -0.044 0.000 0.929 1050 K CB -0.529 31.968 32.500 -0.005 0.000 0.714 1050 K HN 0.400 nan 8.250 nan 0.000 0.443 1051 L N 0.948 122.138 121.223 -0.057 0.000 2.129 1051 L HA -0.205 4.135 4.340 -0.001 0.000 0.212 1051 L C 2.482 179.333 176.870 -0.031 0.000 1.087 1051 L CA 1.582 56.398 54.840 -0.040 0.000 0.757 1051 L CB -0.732 41.308 42.059 -0.031 0.000 0.896 1051 L HN 0.359 nan 8.230 nan 0.000 0.434 1052 S N -0.082 115.586 115.700 -0.053 0.000 2.507 1052 S HA -0.061 4.408 4.470 -0.001 0.000 0.235 1052 S C 1.719 176.329 174.600 0.017 0.000 0.988 1052 S CA 0.607 58.805 58.200 -0.004 0.000 0.944 1052 S CB -0.446 62.737 63.200 -0.028 0.000 0.762 1052 S HN 0.597 nan 8.310 nan 0.000 0.526 1053 G N 1.062 109.853 108.800 -0.014 0.000 2.200 1053 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.267 1053 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.267 1053 G C 0.004 174.913 174.900 0.015 0.000 0.993 1053 G CA 0.594 45.689 45.100 -0.008 0.000 0.701 1053 G HN 0.526 nan 8.290 nan 0.000 0.524 1054 K N 0.406 120.826 120.400 0.034 0.000 2.205 1054 K HA 0.621 4.940 4.320 -0.001 0.000 0.279 1054 K C 0.497 177.131 176.600 0.056 0.000 1.027 1054 K CA 0.157 56.498 56.287 0.090 0.000 0.932 1054 K CB 1.531 34.152 32.500 0.202 0.000 1.032 1054 K HN 0.503 nan 8.250 nan 0.000 0.466 1055 A N 3.697 126.561 122.820 0.074 0.000 2.437 1055 A HA 0.103 4.422 4.320 -0.001 0.000 0.303 1055 A C -0.053 177.565 177.584 0.058 0.000 1.324 1055 A CA -0.128 51.914 52.037 0.009 0.000 0.983 1055 A CB -0.189 18.843 19.000 0.055 0.000 1.142 1055 A HN 0.581 nan 8.150 nan 0.000 0.541 1056 D N 0.612 120.982 120.400 -0.049 0.000 2.449 1056 D HA 0.706 5.345 4.640 -0.001 0.000 0.250 1056 D C -1.000 175.197 176.300 -0.171 0.000 1.050 1056 D CA 0.040 54.125 54.000 0.141 0.000 1.024 1056 D CB 1.033 41.953 40.800 0.201 0.000 1.218 1056 D HN 0.393 nan 8.370 nan 0.000 0.566 1057 Y N -0.543 119.893 120.300 0.226 0.000 2.638 1057 Y HA 0.601 5.150 4.550 -0.001 0.000 0.339 1057 Y C -0.424 175.479 175.900 0.005 0.000 1.084 1057 Y CA -0.969 57.143 58.100 0.019 0.000 1.068 1057 Y CB 1.668 39.973 38.460 -0.259 0.000 1.294 1057 Y HN 0.194 nan 8.280 nan 0.000 0.480 1058 I N 0.235 120.821 120.570 0.027 0.000 2.752 1058 I HA 0.792 4.962 4.170 -0.001 0.000 0.295 1058 I C -0.700 175.499 176.117 0.138 0.000 1.219 1058 I CA -0.351 60.981 61.300 0.052 0.000 1.030 1058 I CB 2.019 39.988 38.000 -0.052 0.000 1.259 1058 I HN 0.753 nan 8.210 nan 0.000 0.423 1059 G N 4.206 113.208 108.800 0.337 0.000 2.735 1059 G HA2 0.913 4.872 3.960 -0.001 0.000 0.301 1059 G HA3 0.913 4.872 3.960 -0.001 0.000 0.301 1059 G C -1.659 173.577 174.900 0.562 0.000 1.279 1059 G CA -0.408 44.971 45.100 0.466 0.000 1.019 1059 G HN 0.958 nan 8.290 nan 0.000 0.497 1060 A N -0.851 122.210 122.820 0.402 0.000 2.589 1060 A HA 0.803 5.123 4.320 -0.001 0.000 0.296 1060 A C -1.263 176.337 177.584 0.028 0.000 1.062 1060 A CA -0.626 51.427 52.037 0.026 0.000 0.686 1060 A CB 1.172 20.105 19.000 -0.111 0.000 1.282 1060 A HN 1.916 nan 8.150 nan 0.000 0.404 1061 F N -0.958 118.744 119.950 -0.413 0.000 2.643 1061 F HA 0.957 5.484 4.527 -0.001 0.000 0.314 1061 F C -0.399 175.182 175.800 -0.365 0.000 1.096 1061 F CA -0.948 56.865 58.000 -0.313 0.000 0.953 1061 F CB 1.637 40.495 39.000 -0.237 0.000 1.345 1061 F HN 1.389 nan 8.300 nan 0.000 0.468 1062 A N 1.880 124.526 122.820 -0.289 0.000 2.485 1062 A HA 0.692 5.011 4.320 -0.001 0.000 0.285 1062 A C -1.534 175.899 177.584 -0.251 0.000 1.045 1062 A CA -0.157 51.631 52.037 -0.415 0.000 0.792 1062 A CB 0.692 19.298 19.000 -0.656 0.000 1.307 1062 A HN 1.998 nan 8.150 nan 0.000 0.406 1063 V N -0.761 119.060 119.914 -0.156 0.000 3.126 1063 V HA 1.025 5.145 4.120 -0.001 0.000 0.314 1063 V C -0.268 175.802 176.094 -0.040 0.000 1.138 1063 V CA -0.272 61.889 62.300 -0.231 0.000 1.034 1063 V CB 1.545 33.136 31.823 -0.386 0.000 1.075 1063 V HN 1.510 nan 8.190 nan 0.000 0.442 1064 T N -0.015 114.568 114.554 0.048 0.000 2.889 1064 T HA 0.592 4.942 4.350 -0.001 0.000 0.315 1064 T C 0.770 175.552 174.700 0.136 0.000 1.291 1064 T CA 0.274 62.412 62.100 0.064 0.000 1.028 1064 T CB 1.547 70.408 68.868 -0.012 0.000 1.235 1064 T HN 1.474 nan 8.240 nan 0.000 0.491 1065 G N 0.633 109.465 108.800 0.053 0.000 2.650 1065 G HA2 0.494 4.454 3.960 -0.001 0.000 0.214 1065 G HA3 0.494 4.454 3.960 -0.001 0.000 0.214 1065 G C 0.827 175.728 174.900 0.002 0.000 1.136 1065 G CA 0.353 45.472 45.100 0.032 0.000 0.789 1065 G HN 1.464 nan 8.290 nan 0.000 0.536 1066 G N -1.341 107.447 108.800 -0.020 0.000 2.306 1066 G HA2 0.036 3.995 3.960 -0.001 0.000 0.340 1066 G HA3 0.036 3.995 3.960 -0.001 0.000 0.340 1066 G C 0.352 175.182 174.900 -0.115 0.000 1.630 1066 G CA -0.589 44.489 45.100 -0.037 0.000 0.937 1066 G HN 0.089 nan 8.290 nan 0.000 0.693 1067 L N 0.396 121.564 121.223 -0.093 0.000 2.093 1067 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 1067 L C 2.605 179.418 176.870 -0.095 0.000 1.085 1067 L CA 1.655 56.400 54.840 -0.158 0.000 0.755 1067 L CB -0.243 41.832 42.059 0.026 0.000 0.904 1067 L HN 0.714 nan 8.230 nan 0.000 0.435 1068 E N 0.032 120.218 120.200 -0.023 0.000 2.463 1068 E HA -0.230 4.120 4.350 -0.001 0.000 0.201 1068 E C 1.703 178.297 176.600 -0.011 0.000 1.045 1068 E CA 0.452 56.855 56.400 0.005 0.000 0.872 1068 E CB -0.229 29.472 29.700 0.003 0.000 0.797 1068 E HN 0.421 nan 8.360 nan 0.000 0.538 1069 E N 1.207 121.374 120.200 -0.055 0.000 2.068 1069 E HA -0.337 4.012 4.350 -0.001 0.000 0.207 1069 E C 1.125 177.729 176.600 0.006 0.000 1.032 1069 E CA 1.898 58.274 56.400 -0.039 0.000 0.839 1069 E CB -0.045 29.596 29.700 -0.099 0.000 0.758 1069 E HN 0.191 nan 8.360 nan 0.000 0.457 1070 D N -0.265 120.151 120.400 0.026 0.000 2.133 1070 D HA -0.172 4.468 4.640 -0.001 0.000 0.195 1070 D C 1.769 178.116 176.300 0.078 0.000 0.997 1070 D CA 1.601 55.663 54.000 0.103 0.000 0.840 1070 D CB -0.438 40.512 40.800 0.249 0.000 0.947 1070 D HN 0.368 nan 8.370 nan 0.000 0.452 1071 A N 0.503 123.361 122.820 0.064 0.000 1.858 1071 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 1071 A C 2.409 179.963 177.584 -0.051 0.000 1.190 1071 A CA 1.048 53.096 52.037 0.018 0.000 0.617 1071 A CB -0.902 18.110 19.000 0.020 0.000 0.827 1071 A HN 0.232 nan 8.150 nan 0.000 0.443 1072 L N -0.678 120.503 121.223 -0.071 0.000 2.043 1072 L HA -0.282 4.057 4.340 -0.001 0.000 0.212 1072 L C 3.091 179.815 176.870 -0.243 0.000 1.075 1072 L CA 1.347 56.074 54.840 -0.189 0.000 0.752 1072 L CB -0.741 41.266 42.059 -0.087 0.000 0.891 1072 L HN 0.477 nan 8.230 nan 0.000 0.432 1073 A N -0.088 122.743 122.820 0.017 0.000 1.873 1073 A HA -0.222 4.098 4.320 -0.001 0.000 0.215 1073 A C 1.928 179.572 177.584 0.100 0.000 1.186 1073 A CA 1.883 54.034 52.037 0.191 0.000 0.616 1073 A CB -0.587 18.511 19.000 0.164 0.000 0.823 1073 A HN 0.351 nan 8.150 nan 0.000 0.442 1074 D N 0.274 120.691 120.400 0.029 0.000 2.158 1074 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 1074 D C 2.140 178.421 176.300 -0.031 0.000 0.995 1074 D CA 1.568 55.575 54.000 0.013 0.000 0.846 1074 D CB -0.437 40.367 40.800 0.007 0.000 0.941 1074 D HN 0.448 nan 8.370 nan 0.000 0.456 1075 A N 0.092 122.834 122.820 -0.129 0.000 1.933 1075 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 1075 A C 1.981 179.485 177.584 -0.133 0.000 1.175 1075 A CA 1.054 52.974 52.037 -0.196 0.000 0.628 1075 A CB -0.774 18.009 19.000 -0.361 0.000 0.814 1075 A HN 0.124 nan 8.150 nan 0.000 0.444 1076 F N -0.071 119.884 119.950 0.008 0.000 2.098 1076 F HA -0.043 4.483 4.527 -0.001 0.000 0.294 1076 F C 2.461 178.253 175.800 -0.014 0.000 1.107 1076 F CA 1.166 59.176 58.000 0.017 0.000 1.234 1076 F CB -0.747 38.280 39.000 0.045 0.000 1.002 1076 F HN 0.164 nan 8.300 nan 0.000 0.472 1077 E N 0.429 120.736 120.200 0.178 0.000 2.130 1077 E HA -0.240 4.109 4.350 -0.001 0.000 0.196 1077 E C 2.358 178.914 176.600 -0.074 0.000 0.998 1077 E CA 1.266 57.706 56.400 0.067 0.000 0.806 1077 E CB -0.478 29.256 29.700 0.057 0.000 0.738 1077 E HN 0.317 nan 8.360 nan 0.000 0.459 1078 A N 1.150 123.923 122.820 -0.078 0.000 1.972 1078 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 1078 A C 1.833 179.227 177.584 -0.317 0.000 1.169 1078 A CA 1.661 53.600 52.037 -0.164 0.000 0.635 1078 A CB -0.381 18.571 19.000 -0.081 0.000 0.810 1078 A HN 0.383 nan 8.150 nan 0.000 0.446 1079 Q N -1.667 118.030 119.800 -0.172 0.000 2.204 1079 Q HA 0.150 4.489 4.340 -0.001 0.000 0.209 1079 Q C -0.480 175.513 176.000 -0.012 0.000 0.861 1079 Q CA -0.078 55.675 55.803 -0.083 0.000 0.971 1079 Q CB -0.201 28.592 28.738 0.092 0.000 1.095 1079 Q HN 0.711 nan 8.270 nan 0.000 0.486 1080 H N -0.201 118.947 119.070 0.130 0.000 2.776 1080 H HA -0.157 4.398 4.556 -0.001 0.000 0.300 1080 H C -0.705 174.698 175.328 0.125 0.000 1.161 1080 H CA 1.164 57.282 56.048 0.117 0.000 1.147 1080 H CB -1.468 28.354 29.762 0.100 0.000 1.366 1080 H HN 0.454 nan 8.280 nan 0.000 0.397 1081 D N 1.071 121.586 120.400 0.192 0.000 2.639 1081 D HA 0.145 4.784 4.640 -0.001 0.000 0.233 1081 D C 0.668 177.043 176.300 0.124 0.000 1.161 1081 D CA -0.334 53.766 54.000 0.167 0.000 1.003 1081 D CB -0.121 40.788 40.800 0.182 0.000 1.034 1081 D HN 0.275 nan 8.370 nan 0.000 0.514 1082 D N 0.448 120.934 120.400 0.143 0.000 2.218 1082 D HA -0.180 4.459 4.640 -0.001 0.000 0.204 1082 D C 1.364 177.735 176.300 0.119 0.000 0.976 1082 D CA 0.785 54.854 54.000 0.116 0.000 0.853 1082 D CB 0.036 40.906 40.800 0.117 0.000 0.939 1082 D HN 0.427 nan 8.370 nan 0.000 0.481 1083 Y N 1.678 122.006 120.300 0.047 0.000 2.049 1083 Y HA -0.268 4.282 4.550 -0.001 0.000 0.277 1083 Y C 1.629 177.543 175.900 0.024 0.000 1.143 1083 Y CA 1.814 59.983 58.100 0.116 0.000 1.115 1083 Y CB -0.533 37.956 38.460 0.049 0.000 0.975 1083 Y HN -0.084 nan 8.280 nan 0.000 0.487 1084 N N -0.246 118.333 118.700 -0.203 0.000 2.381 1084 N HA -0.139 4.601 4.740 -0.001 0.000 0.182 1084 N C 1.782 176.764 175.510 -0.880 0.000 1.025 1084 N CA 0.816 53.445 53.050 -0.701 0.000 0.888 1084 N CB -0.139 37.632 38.487 -1.194 0.000 0.965 1084 N HN 0.329 nan 8.380 nan 0.000 0.438 1085 K N 1.035 121.142 120.400 -0.488 0.000 2.062 1085 K HA 0.000 4.320 4.320 -0.001 0.000 0.205 1085 K C 1.654 178.245 176.600 -0.014 0.000 1.051 1085 K CA 0.847 57.108 56.287 -0.043 0.000 0.941 1085 K CB 0.071 32.647 32.500 0.127 0.000 0.719 1085 K HN 0.162 nan 8.250 nan 0.000 0.440 1086 I N 0.662 121.184 120.570 -0.080 0.000 2.439 1086 I HA -0.223 3.946 4.170 -0.001 0.000 0.251 1086 I C 2.401 178.475 176.117 -0.071 0.000 1.139 1086 I CA 0.540 61.743 61.300 -0.160 0.000 1.438 1086 I CB -0.059 37.715 38.000 -0.376 0.000 1.085 1086 I HN 0.273 nan 8.210 nan 0.000 0.427 1087 M N 0.494 120.122 119.600 0.047 0.000 2.099 1087 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 1087 M C 2.196 178.584 176.300 0.148 0.000 1.067 1087 M CA 1.627 57.045 55.300 0.197 0.000 1.124 1087 M CB -0.408 32.201 32.600 0.015 0.000 1.353 1087 M HN 0.065 nan 8.290 nan 0.000 0.410 1088 V N 0.359 120.334 119.914 0.102 0.000 2.392 1088 V HA -0.299 3.820 4.120 -0.001 0.000 0.249 1088 V C 2.120 178.277 176.094 0.104 0.000 1.059 1088 V CA 2.000 64.396 62.300 0.160 0.000 1.051 1088 V CB -0.488 31.539 31.823 0.340 0.000 0.658 1088 V HN 0.529 nan 8.190 nan 0.000 0.455 1089 K N -0.052 120.394 120.400 0.077 0.000 2.103 1089 K HA 0.006 4.325 4.320 -0.001 0.000 0.204 1089 K C 2.261 178.877 176.600 0.026 0.000 1.052 1089 K CA 1.280 57.586 56.287 0.031 0.000 0.945 1089 K CB -0.386 32.114 32.500 0.001 0.000 0.722 1089 K HN 0.569 nan 8.250 nan 0.000 0.443 1090 A N 1.679 124.534 122.820 0.059 0.000 1.898 1090 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 1090 A C 2.172 179.851 177.584 0.159 0.000 1.181 1090 A CA 1.095 53.209 52.037 0.129 0.000 0.620 1090 A CB -0.559 18.589 19.000 0.246 0.000 0.819 1090 A HN 0.127 nan 8.150 nan 0.000 0.442 1091 L N -0.850 120.449 121.223 0.127 0.000 2.093 1091 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 1091 L C 3.113 179.953 176.870 -0.050 0.000 1.085 1091 L CA 0.888 55.714 54.840 -0.022 0.000 0.755 1091 L CB -0.554 41.492 42.059 -0.022 0.000 0.904 1091 L HN 0.445 nan 8.230 nan 0.000 0.435 1092 A N 0.203 123.018 122.820 -0.008 0.000 1.883 1092 A HA -0.265 4.055 4.320 -0.001 0.000 0.217 1092 A C 1.902 179.472 177.584 -0.024 0.000 1.186 1092 A CA 2.201 54.225 52.037 -0.021 0.000 0.624 1092 A CB -0.610 18.380 19.000 -0.017 0.000 0.822 1092 A HN 0.353 nan 8.150 nan 0.000 0.444 1093 D N -0.631 119.762 120.400 -0.010 0.000 2.104 1093 D HA -0.127 4.513 4.640 -0.001 0.000 0.194 1093 D C 2.109 178.399 176.300 -0.016 0.000 0.994 1093 D CA 0.967 54.968 54.000 0.000 0.000 0.830 1093 D CB -0.313 40.495 40.800 0.014 0.000 0.959 1093 D HN 0.164 nan 8.370 nan 0.000 0.452 1094 R N 0.210 120.670 120.500 -0.066 0.000 2.120 1094 R HA -0.001 4.339 4.340 -0.001 0.000 0.234 1094 R C 2.440 178.640 176.300 -0.167 0.000 1.123 1094 R CA 0.290 56.288 56.100 -0.170 0.000 0.975 1094 R CB -0.807 29.265 30.300 -0.380 0.000 0.866 1094 R HN 0.329 nan 8.270 nan 0.000 0.446 1095 L N -0.259 120.888 121.223 -0.126 0.000 2.131 1095 L HA -0.025 4.314 4.340 -0.001 0.000 0.206 1095 L C 2.459 179.341 176.870 0.020 0.000 1.087 1095 L CA 0.941 55.727 54.840 -0.090 0.000 0.767 1095 L CB -0.471 41.533 42.059 -0.091 0.000 0.917 1095 L HN 0.114 nan 8.230 nan 0.000 0.441 1096 A N 0.060 122.910 122.820 0.051 0.000 1.858 1096 A HA -0.260 4.059 4.320 -0.001 0.000 0.216 1096 A C 2.157 179.840 177.584 0.165 0.000 1.190 1096 A CA 1.913 54.027 52.037 0.130 0.000 0.617 1096 A CB -0.510 18.540 19.000 0.084 0.000 0.827 1096 A HN 0.339 nan 8.150 nan 0.000 0.443 1097 E N 0.220 120.486 120.200 0.110 0.000 2.110 1097 E HA -0.075 4.274 4.350 -0.001 0.000 0.193 1097 E C 1.966 178.645 176.600 0.132 0.000 0.988 1097 E CA 1.526 57.999 56.400 0.123 0.000 0.804 1097 E CB -0.452 29.298 29.700 0.083 0.000 0.745 1097 E HN 0.480 nan 8.360 nan 0.000 0.458 1098 A N 0.027 122.901 122.820 0.091 0.000 1.873 1098 A HA -0.136 4.184 4.320 -0.001 0.000 0.215 1098 A C 2.141 179.828 177.584 0.171 0.000 1.186 1098 A CA 1.309 53.409 52.037 0.104 0.000 0.616 1098 A CB -0.988 18.014 19.000 0.004 0.000 0.823 1098 A HN 0.405 nan 8.150 nan 0.000 0.442 1099 F N 1.113 121.070 119.950 0.012 0.000 2.120 1099 F HA -0.216 4.310 4.527 -0.001 0.000 0.300 1099 F C 2.654 178.488 175.800 0.056 0.000 1.095 1099 F CA 0.688 58.710 58.000 0.037 0.000 1.249 1099 F CB -0.950 38.078 39.000 0.047 0.000 0.995 1099 F HN 0.280 nan 8.300 nan 0.000 0.480 1100 A N -0.190 122.800 122.820 0.283 0.000 1.883 1100 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 1100 A C 2.269 179.874 177.584 0.035 0.000 1.186 1100 A CA 1.873 53.958 52.037 0.080 0.000 0.624 1100 A CB -0.797 18.294 19.000 0.152 0.000 0.822 1100 A HN 0.362 nan 8.150 nan 0.000 0.444 1101 E N -1.256 119.024 120.200 0.132 0.000 2.051 1101 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 1101 E C 1.868 178.514 176.600 0.077 0.000 0.991 1101 E CA 1.527 58.020 56.400 0.155 0.000 0.799 1101 E CB -0.590 29.275 29.700 0.275 0.000 0.748 1101 E HN 0.757 nan 8.360 nan 0.000 0.449 1102 Y N 1.399 121.592 120.300 -0.179 0.000 2.070 1102 Y HA -0.268 4.282 4.550 -0.001 0.000 0.280 1102 Y C 2.322 178.085 175.900 -0.228 0.000 1.148 1102 Y CA 1.646 59.400 58.100 -0.577 0.000 1.125 1102 Y CB -0.698 37.269 38.460 -0.822 0.000 0.975 1102 Y HN 0.046 nan 8.280 nan 0.000 0.492 1103 L N 0.310 121.444 121.223 -0.149 0.000 2.013 1103 L HA -0.280 4.059 4.340 -0.001 0.000 0.212 1103 L C 2.597 179.316 176.870 -0.251 0.000 1.073 1103 L CA 2.598 57.328 54.840 -0.184 0.000 0.753 1103 L CB -1.376 40.675 42.059 -0.014 0.000 0.890 1103 L HN 0.557 nan 8.230 nan 0.000 0.432 1104 H N -1.426 117.443 119.070 -0.334 0.000 2.422 1104 H HA -0.201 4.354 4.556 -0.001 0.000 0.298 1104 H C 2.205 177.233 175.328 -0.499 0.000 1.098 1104 H CA 1.367 57.154 56.048 -0.435 0.000 1.315 1104 H CB 0.342 29.939 29.762 -0.275 0.000 1.382 1104 H HN 0.583 nan 8.280 nan 0.000 0.523 1105 E N 0.775 120.756 120.200 -0.364 0.000 2.006 1105 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 1105 E C 2.459 178.779 176.600 -0.467 0.000 0.993 1105 E CA 0.672 56.827 56.400 -0.409 0.000 0.808 1105 E CB -0.088 29.470 29.700 -0.236 0.000 0.764 1105 E HN 0.310 nan 8.360 nan 0.000 0.449 1106 R N 0.036 120.179 120.500 -0.595 0.000 2.185 1106 R HA -0.170 4.169 4.340 -0.001 0.000 0.247 1106 R C 2.129 178.020 176.300 -0.681 0.000 1.159 1106 R CA 1.274 56.950 56.100 -0.707 0.000 0.988 1106 R CB -0.096 29.661 30.300 -0.904 0.000 0.871 1106 R HN 0.143 nan 8.270 nan 0.000 0.458 1107 V N 0.208 119.840 119.914 -0.470 0.000 2.239 1107 V HA -0.195 3.925 4.120 -0.001 0.000 0.242 1107 V C 2.272 178.137 176.094 -0.381 0.000 1.038 1107 V CA 1.831 63.955 62.300 -0.295 0.000 1.002 1107 V CB -0.422 31.166 31.823 -0.393 0.000 0.641 1107 V HN 0.381 nan 8.190 nan 0.000 0.449 1108 R N 0.054 120.210 120.500 -0.573 0.000 2.113 1108 R HA -0.237 4.102 4.340 -0.001 0.000 0.244 1108 R C 2.363 178.261 176.300 -0.669 0.000 1.142 1108 R CA 1.912 57.433 56.100 -0.966 0.000 0.953 1108 R CB -0.391 29.449 30.300 -0.767 0.000 0.860 1108 R HN 0.496 nan 8.270 nan 0.000 0.438 1109 K N -0.238 119.890 120.400 -0.453 0.000 1.995 1109 K HA -0.044 4.275 4.320 -0.001 0.000 0.207 1109 K C 2.122 178.550 176.600 -0.287 0.000 1.041 1109 K CA 1.378 57.470 56.287 -0.326 0.000 0.942 1109 K CB 0.034 32.367 32.500 -0.278 0.000 0.731 1109 K HN -0.034 nan 8.250 nan 0.000 0.439 1110 V N -0.010 119.697 119.914 -0.345 0.000 2.465 1110 V HA -0.112 4.008 4.120 -0.001 0.000 0.230 1110 V C 1.884 177.948 176.094 -0.051 0.000 1.084 1110 V CA 0.767 62.911 62.300 -0.260 0.000 1.092 1110 V CB -0.953 30.625 31.823 -0.408 0.000 0.730 1110 V HN 0.275 nan 8.190 nan 0.000 0.491 1111 Y N -0.930 119.343 120.300 -0.045 0.000 1.967 1111 Y HA -0.392 4.157 4.550 -0.001 0.000 0.260 1111 Y C 2.574 178.493 175.900 0.031 0.000 1.181 1111 Y CA 2.321 60.403 58.100 -0.029 0.000 1.097 1111 Y CB -0.484 37.912 38.460 -0.108 0.000 0.934 1111 Y HN 0.386 nan 8.280 nan 0.000 0.492 1112 W N 0.102 121.378 121.300 -0.040 0.000 2.494 1112 W HA 0.133 4.793 4.660 -0.001 0.000 0.286 1112 W C 1.494 177.950 176.519 -0.106 0.000 1.218 1112 W CA 1.740 59.031 57.345 -0.090 0.000 1.313 1112 W CB -0.346 29.026 29.460 -0.146 0.000 1.105 1112 W HN 0.273 nan 8.180 nan 0.000 0.561 1113 G N 1.084 109.896 108.800 0.020 0.000 2.225 1113 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.264 1113 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.264 1113 G C 0.120 174.993 174.900 -0.045 0.000 1.060 1113 G CA 0.506 45.560 45.100 -0.076 0.000 0.833 1113 G HN 0.582 nan 8.290 nan 0.000 0.498 1114 Y N -3.229 117.028 120.300 -0.071 0.000 2.462 1114 Y HA 0.662 5.212 4.550 -0.001 0.000 0.261 1114 Y C 1.368 177.199 175.900 -0.115 0.000 1.146 1114 Y CA -0.570 57.463 58.100 -0.112 0.000 1.283 1114 Y CB -0.033 38.283 38.460 -0.241 0.000 1.090 1114 Y HN 0.903 nan 8.280 nan 0.000 0.526 1115 A N 2.256 125.041 122.820 -0.057 0.000 3.253 1115 A HA 0.429 4.749 4.320 -0.001 0.000 0.290 1115 A C -1.889 175.630 177.584 -0.108 0.000 0.950 1115 A CA -1.096 50.932 52.037 -0.015 0.000 0.986 1115 A CB 0.138 19.141 19.000 0.006 0.000 1.104 1115 A HN 0.141 nan 8.150 nan 0.000 0.481 1116 P HA -0.182 nan 4.420 nan 0.000 0.216 1116 P C 0.383 177.636 177.300 -0.078 0.000 1.153 1116 P CA 1.102 64.139 63.100 -0.105 0.000 0.848 1116 P CB -0.088 31.557 31.700 -0.092 0.000 0.787 1117 N N 0.659 119.329 118.700 -0.051 0.000 2.878 1117 N HA 0.053 4.792 4.740 -0.001 0.000 0.282 1117 N C 0.243 175.734 175.510 -0.033 0.000 1.284 1117 N CA -0.101 52.927 53.050 -0.038 0.000 1.053 1117 N CB -0.010 38.462 38.487 -0.025 0.000 1.382 1117 N HN 0.302 nan 8.380 nan 0.000 0.529 1118 E N 1.215 121.387 120.200 -0.047 0.000 2.151 1118 E HA 0.176 4.525 4.350 -0.001 0.000 0.275 1118 E C -0.997 175.584 176.600 -0.032 0.000 0.936 1118 E CA -0.472 55.905 56.400 -0.037 0.000 0.777 1118 E CB 0.748 30.414 29.700 -0.057 0.000 1.108 1118 E HN 0.128 nan 8.360 nan 0.000 0.401 1119 N N 5.089 123.779 118.700 -0.017 0.000 2.697 1119 N HA 0.224 4.963 4.740 -0.001 0.000 0.253 1119 N C -1.563 173.944 175.510 -0.006 0.000 1.604 1119 N CA -0.212 52.831 53.050 -0.012 0.000 0.772 1119 N CB 0.279 38.758 38.487 -0.014 0.000 1.267 1119 N HN 0.408 nan 8.380 nan 0.000 0.510 1120 L N 0.420 121.645 121.223 0.005 0.000 2.421 1120 L HA 0.525 4.865 4.340 -0.001 0.000 0.263 1120 L C 0.912 177.779 176.870 -0.005 0.000 1.122 1120 L CA -0.741 54.106 54.840 0.011 0.000 0.804 1120 L CB 1.192 43.279 42.059 0.048 0.000 1.150 1120 L HN 0.397 nan 8.230 nan 0.000 0.457 1121 S N -0.272 115.423 115.700 -0.008 0.000 2.646 1121 S HA 0.142 4.612 4.470 -0.001 0.000 0.276 1121 S C 0.627 175.212 174.600 -0.026 0.000 1.222 1121 S CA -0.635 57.550 58.200 -0.026 0.000 1.014 1121 S CB 1.337 64.530 63.200 -0.012 0.000 0.991 1121 S HN 0.664 nan 8.310 nan 0.000 0.533 1122 N N 1.182 119.844 118.700 -0.062 0.000 2.091 1122 N HA -0.198 4.541 4.740 -0.001 0.000 0.193 1122 N C 1.511 177.040 175.510 0.032 0.000 1.021 1122 N CA 2.017 55.037 53.050 -0.051 0.000 0.862 1122 N CB -0.228 38.226 38.487 -0.055 0.000 1.018 1122 N HN 0.685 nan 8.380 nan 0.000 0.429 1123 E N 0.374 120.601 120.200 0.044 0.000 2.150 1123 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 1123 E C 1.696 178.320 176.600 0.039 0.000 0.985 1123 E CA 0.877 57.313 56.400 0.060 0.000 0.814 1123 E CB -0.204 29.527 29.700 0.053 0.000 0.752 1123 E HN 0.644 nan 8.360 nan 0.000 0.466 1124 E N 0.423 120.636 120.200 0.022 0.000 2.152 1124 E HA -0.065 4.284 4.350 -0.001 0.000 0.192 1124 E C 2.287 178.899 176.600 0.019 0.000 0.983 1124 E CA 0.296 56.698 56.400 0.004 0.000 0.818 1124 E CB -0.034 29.665 29.700 -0.002 0.000 0.758 1124 E HN 0.181 nan 8.360 nan 0.000 0.467 1125 L N 0.892 122.164 121.223 0.081 0.000 2.017 1125 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 1125 L C 2.355 179.321 176.870 0.160 0.000 1.073 1125 L CA 0.645 55.601 54.840 0.194 0.000 0.745 1125 L CB -0.336 41.842 42.059 0.197 0.000 0.894 1125 L HN 0.187 nan 8.230 nan 0.000 0.432 1126 I N -0.040 120.598 120.570 0.112 0.000 2.315 1126 I HA -0.289 3.880 4.170 -0.001 0.000 0.251 1126 I C 2.413 178.560 176.117 0.049 0.000 1.125 1126 I CA 1.578 62.938 61.300 0.100 0.000 1.392 1126 I CB -1.048 37.013 38.000 0.102 0.000 1.065 1126 I HN 0.312 nan 8.210 nan 0.000 0.424 1127 R N 0.531 121.032 120.500 0.003 0.000 2.313 1127 R HA -0.012 4.327 4.340 -0.001 0.000 0.199 1127 R C 0.260 176.464 176.300 -0.159 0.000 0.958 1127 R CA 0.067 56.135 56.100 -0.054 0.000 1.047 1127 R CB 0.043 30.311 30.300 -0.054 0.000 0.955 1127 R HN 0.371 nan 8.270 nan 0.000 0.481 1128 E N -0.838 119.213 120.200 -0.248 0.000 3.170 1128 E HA -0.238 4.112 4.350 -0.001 0.000 0.284 1128 E C -0.758 175.236 176.600 -1.010 0.000 0.967 1128 E CA 0.540 56.520 56.400 -0.700 0.000 0.919 1128 E CB -1.573 27.942 29.700 -0.309 0.000 1.469 1128 E HN 0.523 nan 8.360 nan 0.000 0.444 1129 N N 0.728 119.078 118.700 -0.583 0.000 3.105 1129 N HA 0.052 4.792 4.740 -0.001 0.000 0.309 1129 N C -0.545 174.779 175.510 -0.309 0.000 1.291 1129 N CA 0.186 53.010 53.050 -0.376 0.000 1.153 1129 N CB -0.097 38.284 38.487 -0.176 0.000 1.447 1129 N HN 0.267 nan 8.380 nan 0.000 0.555 1130 Y N -2.321 117.929 120.300 -0.083 0.000 2.669 1130 Y HA 0.371 4.920 4.550 -0.001 0.000 0.335 1130 Y C -0.382 175.451 175.900 -0.112 0.000 1.116 1130 Y CA -1.687 56.354 58.100 -0.097 0.000 1.081 1130 Y CB 0.603 38.983 38.460 -0.133 0.000 1.297 1130 Y HN -0.132 nan 8.280 nan 0.000 0.484 1131 Q N 1.331 121.246 119.800 0.192 0.000 2.288 1131 Q HA 0.509 4.848 4.340 -0.001 0.000 0.258 1131 Q C -0.023 176.023 176.000 0.077 0.000 0.957 1131 Q CA 0.599 56.419 55.803 0.029 0.000 0.919 1131 Q CB 0.630 29.320 28.738 -0.080 0.000 1.185 1131 Q HN 1.279 nan 8.270 nan 0.000 0.408 1132 G N 2.895 111.669 108.800 -0.043 0.000 2.690 1132 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.686 1132 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.686 1132 G C -0.613 174.410 174.900 0.205 0.000 1.277 1132 G CA -0.293 44.825 45.100 0.029 0.000 0.799 1132 G HN 0.868 nan 8.290 nan 0.000 0.613 1133 I N -2.031 118.638 120.570 0.166 0.000 3.133 1133 I HA 0.998 5.167 4.170 -0.001 0.000 0.311 1133 I C 0.427 176.801 176.117 0.429 0.000 1.072 1133 I CA -1.719 59.675 61.300 0.157 0.000 1.015 1133 I CB 2.389 40.031 38.000 -0.597 0.000 1.233 1133 I HN 0.830 nan 8.210 nan 0.000 0.473 1134 R N 0.738 121.528 120.500 0.484 0.000 2.638 1134 R HA 0.474 4.814 4.340 -0.001 0.000 0.261 1134 R C -2.993 173.583 176.300 0.461 0.000 1.515 1134 R CA -1.291 55.017 56.100 0.347 0.000 1.623 1134 R CB -0.059 30.197 30.300 -0.073 0.000 1.347 1134 R HN 0.399 nan 8.270 nan 0.000 0.705 1135 P HA 0.093 nan 4.420 nan 0.000 0.269 1135 P C -0.661 176.856 177.300 0.362 0.000 1.209 1135 P CA 0.020 63.398 63.100 0.463 0.000 0.776 1135 P CB 1.385 33.345 31.700 0.434 0.000 0.876 1136 A N 3.818 126.761 122.820 0.205 0.000 2.356 1136 A HA 0.621 4.940 4.320 -0.001 0.000 0.310 1136 A C -2.654 175.079 177.584 0.249 0.000 1.075 1136 A CA -2.097 50.043 52.037 0.172 0.000 0.746 1136 A CB 0.665 19.752 19.000 0.143 0.000 1.221 1136 A HN 0.294 nan 8.150 nan 0.000 0.443 1137 P HA 0.262 nan 4.420 nan 0.000 0.258 1137 P C 1.085 178.332 177.300 -0.088 0.000 1.187 1137 P CA 2.014 65.148 63.100 0.057 0.000 0.767 1137 P CB 0.626 32.334 31.700 0.013 0.000 0.770 1138 G N 2.196 110.852 108.800 -0.239 0.000 3.465 1138 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.196 1138 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.196 1138 G C -0.310 174.459 174.900 -0.218 0.000 1.170 1138 G CA -0.585 44.225 45.100 -0.483 0.000 0.887 1138 G HN 0.363 nan 8.290 nan 0.000 0.444 1139 Y N 1.855 122.109 120.300 -0.076 0.000 2.459 1139 Y HA 0.341 4.891 4.550 -0.001 0.000 0.349 1139 Y C -0.768 175.128 175.900 -0.007 0.000 1.266 1139 Y CA -0.426 57.654 58.100 -0.033 0.000 1.483 1139 Y CB 0.295 38.727 38.460 -0.046 0.000 1.362 1139 Y HN 0.021 nan 8.280 nan 0.000 0.628 1140 P HA -0.211 nan 4.420 nan 0.000 0.219 1140 P C 0.939 178.329 177.300 0.150 0.000 1.146 1140 P CA 2.261 65.435 63.100 0.123 0.000 0.808 1140 P CB 0.043 31.812 31.700 0.115 0.000 0.779 1141 A N -1.050 121.886 122.820 0.193 0.000 2.070 1141 A HA -0.107 4.212 4.320 -0.001 0.000 0.220 1141 A C 1.047 178.750 177.584 0.197 0.000 1.159 1141 A CA 1.438 53.597 52.037 0.203 0.000 0.656 1141 A CB -1.058 18.100 19.000 0.263 0.000 0.800 1141 A HN 0.429 nan 8.150 nan 0.000 0.453 1142 C N -5.110 114.303 119.300 0.189 0.000 3.238 1142 C HA 0.446 4.906 4.460 -0.001 0.000 0.308 1142 C C -1.851 173.180 174.990 0.067 0.000 0.971 1142 C CA -1.418 57.707 59.018 0.178 0.000 1.207 1142 C CB -0.069 27.848 27.740 0.295 0.000 1.696 1142 C HN 0.164 nan 8.230 nan 0.000 0.609 1143 P HA -0.182 nan 4.420 nan 0.000 0.216 1143 P C 0.757 177.993 177.300 -0.105 0.000 1.154 1143 P CA 1.563 64.635 63.100 -0.047 0.000 0.865 1143 P CB 0.107 31.808 31.700 0.002 0.000 0.789 1144 E N -0.510 119.653 120.200 -0.062 0.000 2.603 1144 E HA -0.121 4.229 4.350 -0.001 0.000 0.242 1144 E C 0.639 177.153 176.600 -0.143 0.000 1.083 1144 E CA 0.567 56.936 56.400 -0.052 0.000 0.950 1144 E CB -0.088 29.600 29.700 -0.020 0.000 0.952 1144 E HN 0.361 nan 8.360 nan 0.000 0.498 1145 H N 0.940 119.899 119.070 -0.185 0.000 2.363 1145 H HA -0.100 4.456 4.556 -0.001 0.000 0.301 1145 H C 2.112 177.056 175.328 -0.640 0.000 1.074 1145 H CA 2.010 57.886 56.048 -0.287 0.000 1.354 1145 H CB 0.157 29.804 29.762 -0.192 0.000 1.397 1145 H HN 0.562 nan 8.280 nan 0.000 0.516 1146 T N -0.543 113.397 114.554 -1.023 0.000 3.026 1146 T HA -0.160 4.190 4.350 -0.001 0.000 0.271 1146 T C 1.487 175.643 174.700 -0.907 0.000 1.149 1146 T CA 1.051 62.097 62.100 -1.757 0.000 1.088 1146 T CB -0.107 67.812 68.868 -1.582 0.000 0.857 1146 T HN 0.318 nan 8.240 nan 0.000 0.551 1147 E N 1.151 121.099 120.200 -0.419 0.000 2.418 1147 E HA -0.004 4.345 4.350 -0.001 0.000 0.197 1147 E C 1.939 178.500 176.600 -0.065 0.000 1.026 1147 E CA 0.523 56.855 56.400 -0.112 0.000 0.862 1147 E CB -0.078 29.668 29.700 0.076 0.000 0.799 1147 E HN 0.685 nan 8.360 nan 0.000 0.518 1148 K N 0.386 120.686 120.400 -0.166 0.000 2.365 1148 K HA 0.003 4.322 4.320 -0.001 0.000 0.199 1148 K C 2.010 178.649 176.600 0.065 0.000 1.045 1148 K CA 0.626 56.888 56.287 -0.043 0.000 0.962 1148 K CB 0.073 32.565 32.500 -0.013 0.000 0.759 1148 K HN 0.002 nan 8.250 nan 0.000 0.469 1149 A N 1.045 123.837 122.820 -0.046 0.000 1.902 1149 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 1149 A C 2.154 179.809 177.584 0.118 0.000 1.181 1149 A CA 1.889 53.975 52.037 0.082 0.000 0.623 1149 A CB -0.867 18.161 19.000 0.046 0.000 0.818 1149 A HN 0.204 nan 8.150 nan 0.000 0.443 1150 T N 0.334 114.925 114.554 0.062 0.000 2.833 1150 T HA -0.076 4.274 4.350 -0.001 0.000 0.269 1150 T C 1.713 176.408 174.700 -0.007 0.000 1.054 1150 T CA 1.480 63.624 62.100 0.072 0.000 1.135 1150 T CB -0.394 68.580 68.868 0.176 0.000 0.869 1150 T HN 0.449 nan 8.240 nan 0.000 0.466 1151 I N -0.761 119.746 120.570 -0.105 0.000 2.353 1151 I HA -0.085 4.085 4.170 -0.001 0.000 0.248 1151 I C 2.440 178.469 176.117 -0.147 0.000 1.119 1151 I CA 0.961 62.070 61.300 -0.318 0.000 1.417 1151 I CB -0.205 37.495 38.000 -0.500 0.000 1.078 1151 I HN 0.367 nan 8.210 nan 0.000 0.421 1152 W N 1.725 122.935 121.300 -0.151 0.000 2.379 1152 W HA -0.183 4.476 4.660 -0.001 0.000 0.307 1152 W C 2.518 179.010 176.519 -0.044 0.000 1.200 1152 W CA 1.547 58.848 57.345 -0.074 0.000 1.297 1152 W CB -0.215 29.229 29.460 -0.027 0.000 1.140 1152 W HN 0.231 nan 8.180 nan 0.000 0.507 1153 E N 0.447 120.741 120.200 0.156 0.000 2.012 1153 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 1153 E C 2.354 178.951 176.600 -0.006 0.000 1.007 1153 E CA 1.847 58.290 56.400 0.072 0.000 0.816 1153 E CB -0.655 29.076 29.700 0.052 0.000 0.762 1153 E HN 0.136 nan 8.360 nan 0.000 0.451 1154 L N 0.319 121.496 121.223 -0.077 0.000 1.997 1154 L HA -0.264 4.076 4.340 -0.001 0.000 0.216 1154 L C 2.510 179.356 176.870 -0.040 0.000 1.074 1154 L CA 1.350 56.089 54.840 -0.168 0.000 0.763 1154 L CB -0.368 41.482 42.059 -0.348 0.000 0.890 1154 L HN 0.312 nan 8.230 nan 0.000 0.434 1155 L N -1.401 119.790 121.223 -0.053 0.000 2.529 1155 L HA 0.050 4.389 4.340 -0.001 0.000 0.223 1155 L C 0.330 177.190 176.870 -0.018 0.000 1.113 1155 L CA -0.022 54.796 54.840 -0.036 0.000 0.861 1155 L CB -0.202 41.757 42.059 -0.168 0.000 1.012 1155 L HN 0.239 nan 8.230 nan 0.000 0.461 1156 E N -0.425 119.768 120.200 -0.011 0.000 2.271 1156 E HA -0.193 4.156 4.350 -0.001 0.000 0.223 1156 E C 1.178 177.785 176.600 0.012 0.000 1.223 1156 E CA 0.160 56.592 56.400 0.053 0.000 0.704 1156 E CB -1.527 28.265 29.700 0.153 0.000 1.194 1156 E HN 0.243 nan 8.360 nan 0.000 0.375 1157 V N 0.231 119.957 119.914 -0.314 0.000 2.219 1157 V HA -0.361 3.759 4.120 -0.001 0.000 0.248 1157 V C 2.395 178.395 176.094 -0.157 0.000 1.053 1157 V CA 2.646 64.628 62.300 -0.530 0.000 1.009 1157 V CB -0.448 30.345 31.823 -1.717 0.000 0.636 1157 V HN 0.503 nan 8.190 nan 0.000 0.445 1158 E N 0.490 120.715 120.200 0.042 0.000 2.164 1158 E HA -0.303 4.046 4.350 -0.001 0.000 0.206 1158 E C 2.214 178.869 176.600 0.091 0.000 1.032 1158 E CA 2.206 58.737 56.400 0.220 0.000 0.832 1158 E CB -0.319 29.546 29.700 0.275 0.000 0.742 1158 E HN 0.467 nan 8.360 nan 0.000 0.460 1159 K N -1.045 119.357 120.400 0.004 0.000 2.243 1159 K HA -0.075 4.245 4.320 -0.001 0.000 0.201 1159 K C 1.281 177.779 176.600 -0.170 0.000 1.051 1159 K CA 1.188 57.414 56.287 -0.101 0.000 0.970 1159 K CB -0.047 32.339 32.500 -0.191 0.000 0.755 1159 K HN 0.370 nan 8.250 nan 0.000 0.465 1160 H N -1.099 117.954 119.070 -0.028 0.000 2.562 1160 H HA 0.042 4.598 4.556 -0.001 0.000 0.267 1160 H C 1.411 176.726 175.328 -0.021 0.000 0.959 1160 H CA 1.546 57.574 56.048 -0.033 0.000 1.204 1160 H CB 0.858 30.579 29.762 -0.068 0.000 1.430 1160 H HN 0.345 nan 8.280 nan 0.000 0.545 1161 T N -5.893 108.714 114.554 0.088 0.000 3.010 1161 T HA 0.305 4.655 4.350 -0.001 0.000 0.252 1161 T C 1.774 176.538 174.700 0.108 0.000 0.963 1161 T CA 0.376 62.518 62.100 0.070 0.000 0.952 1161 T CB 0.588 69.463 68.868 0.011 0.000 1.182 1161 T HN 0.329 nan 8.240 nan 0.000 0.495 1162 G N 1.899 110.783 108.800 0.140 0.000 2.176 1162 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.232 1162 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.232 1162 G C 0.001 175.114 174.900 0.355 0.000 0.986 1162 G CA 0.064 45.295 45.100 0.219 0.000 0.643 1162 G HN 0.573 nan 8.290 nan 0.000 0.522 1163 M N 0.415 120.213 119.600 0.330 0.000 2.241 1163 M HA 0.543 5.022 4.480 -0.001 0.000 0.335 1163 M C 0.665 177.373 176.300 0.681 0.000 1.122 1163 M CA 0.431 56.027 55.300 0.494 0.000 1.164 1163 M CB 0.845 33.699 32.600 0.424 0.000 1.459 1163 M HN 0.193 nan 8.290 nan 0.000 0.461 1164 K N 1.766 122.507 120.400 0.568 0.000 2.439 1164 K HA 0.815 5.134 4.320 -0.001 0.000 0.260 1164 K C -1.520 174.945 176.600 -0.225 0.000 1.032 1164 K CA -0.952 55.459 56.287 0.207 0.000 0.882 1164 K CB 1.852 34.428 32.500 0.127 0.000 1.420 1164 K HN 0.497 nan 8.250 nan 0.000 0.455 1165 L N 0.897 121.854 121.223 -0.443 0.000 2.354 1165 L HA 0.479 4.819 4.340 -0.001 0.000 0.269 1165 L C 0.124 176.818 176.870 -0.295 0.000 1.005 1165 L CA -0.764 53.786 54.840 -0.483 0.000 0.819 1165 L CB 2.271 43.931 42.059 -0.664 0.000 1.311 1165 L HN 0.873 nan 8.230 nan 0.000 0.423 1166 T N -2.787 111.622 114.554 -0.242 0.000 2.923 1166 T HA 0.297 4.647 4.350 -0.001 0.000 0.281 1166 T C 0.840 175.346 174.700 -0.324 0.000 0.995 1166 T CA -0.641 61.329 62.100 -0.217 0.000 0.985 1166 T CB 1.422 70.217 68.868 -0.122 0.000 1.114 1166 T HN 0.584 nan 8.240 nan 0.000 0.548 1167 E N 0.744 120.791 120.200 -0.256 0.000 2.136 1167 E HA -0.129 4.221 4.350 -0.001 0.000 0.202 1167 E C 1.871 178.312 176.600 -0.266 0.000 1.019 1167 E CA 1.798 58.036 56.400 -0.271 0.000 0.819 1167 E CB -0.625 28.988 29.700 -0.145 0.000 0.739 1167 E HN 0.593 nan 8.360 nan 0.000 0.458 1168 S N -1.055 114.583 115.700 -0.102 0.000 2.671 1168 S HA 0.090 4.559 4.470 -0.001 0.000 0.220 1168 S C -0.515 174.198 174.600 0.188 0.000 0.951 1168 S CA -0.321 57.976 58.200 0.162 0.000 0.932 1168 S CB -0.603 62.654 63.200 0.095 0.000 0.777 1168 S HN 0.317 nan 8.310 nan 0.000 0.508 1169 F N -0.285 119.649 119.950 -0.026 0.000 3.071 1169 F HA -0.198 4.329 4.527 -0.001 0.000 0.295 1169 F C 0.419 176.136 175.800 -0.138 0.000 0.919 1169 F CA 0.387 58.292 58.000 -0.158 0.000 1.050 1169 F CB -2.114 36.735 39.000 -0.252 0.000 1.040 1169 F HN 0.279 nan 8.300 nan 0.000 0.692 1170 A N 0.374 123.185 122.820 -0.015 0.000 2.306 1170 A HA 0.890 5.209 4.320 -0.001 0.000 0.330 1170 A C 0.218 177.770 177.584 -0.052 0.000 1.146 1170 A CA -0.694 51.340 52.037 -0.004 0.000 0.827 1170 A CB 1.011 20.014 19.000 0.005 0.000 1.178 1170 A HN 0.273 nan 8.150 nan 0.000 0.490 1171 M N 0.536 120.133 119.600 -0.005 0.000 2.409 1171 M HA 0.461 4.940 4.480 -0.001 0.000 0.329 1171 M C -0.858 175.527 176.300 0.142 0.000 1.180 1171 M CA 0.022 55.337 55.300 0.024 0.000 1.053 1171 M CB 1.588 34.248 32.600 0.099 0.000 1.586 1171 M HN 0.791 nan 8.290 nan 0.000 0.461 1172 W N 3.598 124.911 121.300 0.022 0.000 2.957 1172 W HA 0.544 5.204 4.660 -0.001 0.000 0.336 1172 W C -2.950 173.624 176.519 0.092 0.000 1.087 1172 W CA -1.582 55.787 57.345 0.039 0.000 1.235 1172 W CB 1.366 30.831 29.460 0.008 0.000 1.399 1172 W HN 0.282 nan 8.180 nan 0.000 0.480 1173 P HA 0.120 nan 4.420 nan 0.000 0.271 1173 P C 0.866 177.931 177.300 -0.392 0.000 1.244 1173 P CA 0.644 63.047 63.100 -1.161 0.000 0.793 1173 P CB 0.781 31.917 31.700 -0.940 0.000 0.984 1174 G N 0.779 109.423 108.800 -0.260 0.000 2.440 1174 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.218 1174 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.218 1174 G C 0.633 175.496 174.900 -0.062 0.000 1.154 1174 G CA 0.697 45.749 45.100 -0.080 0.000 0.767 1174 G HN 0.701 nan 8.290 nan 0.000 0.552 1175 A N 0.495 123.260 122.820 -0.092 0.000 2.899 1175 A HA 0.590 4.909 4.320 -0.001 0.000 0.287 1175 A C 0.091 177.657 177.584 -0.030 0.000 1.715 1175 A CA 0.142 52.153 52.037 -0.044 0.000 1.393 1175 A CB -0.269 18.702 19.000 -0.049 0.000 1.070 1175 A HN 0.158 nan 8.150 nan 0.000 0.587 1176 S N 0.089 115.796 115.700 0.012 0.000 2.536 1176 S HA 0.639 5.108 4.470 -0.001 0.000 0.271 1176 S C -0.814 173.833 174.600 0.078 0.000 1.134 1176 S CA -0.496 57.730 58.200 0.045 0.000 0.897 1176 S CB 2.007 65.246 63.200 0.065 0.000 1.094 1176 S HN 0.539 nan 8.310 nan 0.000 0.473 1177 V N 2.477 122.437 119.914 0.077 0.000 2.686 1177 V HA 0.864 4.983 4.120 -0.001 0.000 0.306 1177 V C -0.495 175.513 176.094 -0.143 0.000 1.065 1177 V CA -0.714 61.633 62.300 0.078 0.000 0.894 1177 V CB 1.835 33.798 31.823 0.233 0.000 1.004 1177 V HN 0.969 nan 8.190 nan 0.000 0.424 1178 S N 2.254 117.733 115.700 -0.367 0.000 2.564 1178 S HA 1.029 5.499 4.470 -0.001 0.000 0.274 1178 S C -0.358 173.593 174.600 -1.082 0.000 1.124 1178 S CA 0.012 57.675 58.200 -0.896 0.000 0.869 1178 S CB 2.424 65.395 63.200 -0.381 0.000 1.105 1178 S HN 1.739 nan 8.310 nan 0.000 0.472 1179 G N 0.116 107.951 108.800 -1.608 0.000 2.428 1179 G HA2 0.528 4.487 3.960 -0.001 0.000 0.305 1179 G HA3 0.528 4.487 3.960 -0.001 0.000 0.305 1179 G C -2.129 172.339 174.900 -0.720 0.000 1.260 1179 G CA -0.847 43.743 45.100 -0.850 0.000 0.853 1179 G HN 0.669 nan 8.290 nan 0.000 0.480 1180 W N -1.611 119.701 121.300 0.020 0.000 3.052 1180 W HA 0.793 5.453 4.660 -0.001 0.000 0.366 1180 W C -1.220 175.326 176.519 0.046 0.000 1.438 1180 W CA -0.684 56.708 57.345 0.078 0.000 1.266 1180 W CB 1.091 30.724 29.460 0.289 0.000 1.720 1180 W HN 0.357 nan 8.180 nan 0.000 0.657 1181 Y N 0.873 121.567 120.300 0.656 0.000 2.307 1181 Y HA 0.381 4.930 4.550 -0.001 0.000 0.323 1181 Y C -1.075 175.209 175.900 0.640 0.000 1.100 1181 Y CA -1.599 56.836 58.100 0.557 0.000 1.140 1181 Y CB 0.354 39.121 38.460 0.512 0.000 1.159 1181 Y HN 0.028 nan 8.280 nan 0.000 0.436 1182 F N 0.674 120.951 119.950 0.545 0.000 2.470 1182 F HA 0.452 4.978 4.527 -0.001 0.000 0.329 1182 F C 1.286 177.190 175.800 0.173 0.000 1.072 1182 F CA -0.599 57.654 58.000 0.422 0.000 0.989 1182 F CB 2.107 41.246 39.000 0.232 0.000 1.193 1182 F HN 0.422 nan 8.300 nan 0.000 0.481 1183 S N -0.291 115.513 115.700 0.173 0.000 2.527 1183 S HA 0.037 4.506 4.470 -0.001 0.000 0.227 1183 S C 0.502 174.936 174.600 -0.276 0.000 1.059 1183 S CA 0.059 58.012 58.200 -0.411 0.000 0.919 1183 S CB -0.772 61.897 63.200 -0.885 0.000 0.805 1183 S HN 0.647 nan 8.310 nan 0.000 0.500 1184 H N 5.970 125.008 119.070 -0.053 0.000 3.232 1184 H HA 0.068 4.623 4.556 -0.001 0.000 0.276 1184 H C -1.613 173.521 175.328 -0.323 0.000 0.882 1184 H CA -0.352 55.612 56.048 -0.139 0.000 1.415 1184 H CB 0.708 30.462 29.762 -0.012 0.000 1.405 1184 H HN 0.170 nan 8.280 nan 0.000 0.543 1185 P HA -0.129 nan 4.420 nan 0.000 0.236 1185 P C 0.022 176.931 177.300 -0.651 0.000 1.172 1185 P CA 1.064 63.786 63.100 -0.630 0.000 0.759 1185 P CB 0.498 31.899 31.700 -0.498 0.000 0.843 1186 D N -0.577 119.299 120.400 -0.873 0.000 2.440 1186 D HA 0.050 4.689 4.640 -0.001 0.000 0.216 1186 D C 0.440 176.329 176.300 -0.685 0.000 1.150 1186 D CA 0.211 53.923 54.000 -0.481 0.000 0.832 1186 D CB 0.576 41.278 40.800 -0.164 0.000 0.992 1186 D HN 0.230 nan 8.370 nan 0.000 0.502 1187 S N 0.322 115.423 115.700 -0.997 0.000 2.584 1187 S HA 0.522 4.992 4.470 -0.001 0.000 0.273 1187 S C 0.154 174.073 174.600 -1.134 0.000 1.311 1187 S CA -0.368 56.799 58.200 -1.721 0.000 1.034 1187 S CB 2.210 64.663 63.200 -1.244 0.000 0.939 1187 S HN -0.048 nan 8.310 nan 0.000 0.513 1188 K N 0.411 120.081 120.400 -1.216 0.000 2.522 1188 K HA 0.256 4.576 4.320 -0.001 0.000 0.275 1188 K C -1.669 174.336 176.600 -0.991 0.000 1.006 1188 K CA -0.790 54.810 56.287 -1.145 0.000 0.890 1188 K CB 0.955 32.581 32.500 -1.457 0.000 1.475 1188 K HN 0.585 nan 8.250 nan 0.000 0.441 1189 Y N 1.157 121.116 120.300 -0.567 0.000 2.830 1189 Y HA 0.167 4.717 4.550 -0.001 0.000 0.371 1189 Y C -0.495 175.252 175.900 -0.254 0.000 1.246 1189 Y CA -0.366 57.546 58.100 -0.314 0.000 1.890 1189 Y CB -0.999 37.343 38.460 -0.196 0.000 1.995 1189 Y HN 0.302 nan 8.280 nan 0.000 0.430 1190 Y N 0.534 120.803 120.300 -0.051 0.000 2.465 1190 Y HA 0.304 4.854 4.550 -0.001 0.000 0.331 1190 Y C 0.946 176.884 175.900 0.063 0.000 1.102 1190 Y CA -0.798 57.260 58.100 -0.070 0.000 1.358 1190 Y CB 0.573 38.890 38.460 -0.238 0.000 1.213 1190 Y HN 0.416 nan 8.280 nan 0.000 0.525 1191 A N 3.322 126.283 122.820 0.235 0.000 2.440 1191 A HA 0.233 4.552 4.320 -0.001 0.000 0.251 1191 A C 0.989 178.682 177.584 0.182 0.000 1.089 1191 A CA -0.554 51.592 52.037 0.181 0.000 0.779 1191 A CB 0.339 19.423 19.000 0.139 0.000 1.022 1191 A HN 0.818 nan 8.150 nan 0.000 0.492 1192 V N 2.513 122.514 119.914 0.145 0.000 2.407 1192 V HA 0.048 4.168 4.120 -0.001 0.000 0.248 1192 V C 1.760 177.912 176.094 0.096 0.000 1.055 1192 V CA 2.288 64.659 62.300 0.118 0.000 1.049 1192 V CB -2.124 29.750 31.823 0.085 0.000 0.662 1192 V HN 2.095 nan 8.190 nan 0.000 0.455 1193 A N -0.752 122.120 122.820 0.086 0.000 5.939 1193 A HA -0.229 4.090 4.320 -0.001 0.000 0.250 1193 A C 0.057 177.675 177.584 0.055 0.000 2.234 1193 A CA 0.612 52.690 52.037 0.069 0.000 0.707 1193 A CB -1.111 17.932 19.000 0.072 0.000 1.007 1193 A HN 0.411 nan 8.150 nan 0.000 0.351 1194 Q N 0.477 120.307 119.800 0.051 0.000 2.294 1194 Q HA 0.568 4.908 4.340 -0.001 0.000 0.257 1194 Q C 0.290 176.331 176.000 0.068 0.000 0.955 1194 Q CA 0.629 56.463 55.803 0.052 0.000 0.936 1194 Q CB 0.280 29.046 28.738 0.047 0.000 1.188 1194 Q HN 0.993 nan 8.270 nan 0.000 0.420 1195 I N -1.176 119.444 120.570 0.084 0.000 2.707 1195 I HA 0.458 4.628 4.170 -0.001 0.000 0.309 1195 I C -0.011 176.213 176.117 0.178 0.000 1.001 1195 I CA -1.162 60.198 61.300 0.100 0.000 1.129 1195 I CB 1.352 39.399 38.000 0.077 0.000 1.308 1195 I HN 0.152 nan 8.210 nan 0.000 0.466 1196 Q N 2.368 122.247 119.800 0.133 0.000 2.180 1196 Q HA 0.403 4.742 4.340 -0.001 0.000 0.241 1196 Q C 0.854 176.830 176.000 -0.040 0.000 0.970 1196 Q CA -0.681 55.189 55.803 0.111 0.000 0.919 1196 Q CB 1.116 29.873 28.738 0.032 0.000 1.222 1196 Q HN 0.622 nan 8.270 nan 0.000 0.482 1197 R N 1.039 121.301 120.500 -0.397 0.000 2.117 1197 R HA -0.190 4.149 4.340 -0.001 0.000 0.243 1197 R C 1.178 177.355 176.300 -0.205 0.000 1.143 1197 R CA 2.138 57.895 56.100 -0.571 0.000 0.968 1197 R CB -0.286 29.596 30.300 -0.697 0.000 0.863 1197 R HN 0.737 nan 8.270 nan 0.000 0.444 1198 D N -0.544 119.784 120.400 -0.120 0.000 2.123 1198 D HA -0.239 4.400 4.640 -0.001 0.000 0.196 1198 D C 1.786 178.085 176.300 -0.002 0.000 0.992 1198 D CA 1.239 55.209 54.000 -0.050 0.000 0.833 1198 D CB -0.729 40.052 40.800 -0.031 0.000 0.954 1198 D HN 0.311 nan 8.370 nan 0.000 0.455 1199 Q N 0.313 120.125 119.800 0.019 0.000 2.167 1199 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 1199 Q C 2.122 178.187 176.000 0.108 0.000 0.970 1199 Q CA 0.839 56.681 55.803 0.065 0.000 0.855 1199 Q CB 0.128 28.903 28.738 0.062 0.000 0.911 1199 Q HN 0.192 nan 8.270 nan 0.000 0.438 1200 V N 1.197 121.168 119.914 0.094 0.000 2.295 1200 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 1200 V C 1.947 178.126 176.094 0.142 0.000 1.049 1200 V CA 2.227 64.616 62.300 0.147 0.000 1.024 1200 V CB -0.505 31.419 31.823 0.168 0.000 0.648 1200 V HN 0.422 nan 8.190 nan 0.000 0.447 1201 E N -0.135 120.106 120.200 0.069 0.000 2.051 1201 E HA -0.273 4.076 4.350 -0.001 0.000 0.192 1201 E C 2.006 178.641 176.600 0.058 0.000 0.991 1201 E CA 1.601 58.030 56.400 0.049 0.000 0.799 1201 E CB -0.227 29.478 29.700 0.009 0.000 0.748 1201 E HN 0.671 nan 8.360 nan 0.000 0.449 1202 D N -0.070 120.370 120.400 0.067 0.000 2.104 1202 D HA -0.225 4.414 4.640 -0.001 0.000 0.194 1202 D C 1.830 178.184 176.300 0.089 0.000 0.994 1202 D CA 1.017 55.057 54.000 0.067 0.000 0.830 1202 D CB -0.180 40.664 40.800 0.073 0.000 0.959 1202 D HN 0.130 nan 8.370 nan 0.000 0.452 1203 Y N 0.654 120.961 120.300 0.011 0.000 2.207 1203 Y HA -0.134 4.415 4.550 -0.001 0.000 0.287 1203 Y C 2.136 178.014 175.900 -0.036 0.000 1.156 1203 Y CA 1.679 59.778 58.100 -0.003 0.000 1.182 1203 Y CB -0.611 37.862 38.460 0.021 0.000 0.979 1203 Y HN 0.067 nan 8.280 nan 0.000 0.521 1204 A N 0.371 123.229 122.820 0.063 0.000 1.933 1204 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 1204 A C 2.328 179.856 177.584 -0.094 0.000 1.175 1204 A CA 1.691 53.722 52.037 -0.010 0.000 0.628 1204 A CB -0.502 18.535 19.000 0.061 0.000 0.814 1204 A HN 0.513 nan 8.150 nan 0.000 0.444 1205 R N -0.671 119.787 120.500 -0.070 0.000 2.073 1205 R HA -0.040 4.299 4.340 -0.001 0.000 0.229 1205 R C 2.402 178.627 176.300 -0.126 0.000 1.120 1205 R CA 1.303 57.360 56.100 -0.071 0.000 0.967 1205 R CB -0.281 30.000 30.300 -0.032 0.000 0.862 1205 R HN 0.513 nan 8.270 nan 0.000 0.436 1206 R N 0.577 120.967 120.500 -0.184 0.000 2.073 1206 R HA -0.006 4.334 4.340 -0.001 0.000 0.229 1206 R C 2.034 178.065 176.300 -0.447 0.000 1.120 1206 R CA 0.713 56.678 56.100 -0.225 0.000 0.967 1206 R CB -0.107 30.093 30.300 -0.168 0.000 0.862 1206 R HN 0.020 nan 8.270 nan 0.000 0.436 1207 K N -0.005 119.992 120.400 -0.672 0.000 2.288 1207 K HA -0.003 4.316 4.320 -0.001 0.000 0.201 1207 K C 0.953 177.355 176.600 -0.329 0.000 1.048 1207 K CA 0.911 56.772 56.287 -0.710 0.000 0.956 1207 K CB -0.015 32.040 32.500 -0.741 0.000 0.746 1207 K HN 0.465 nan 8.250 nan 0.000 0.461 1208 G N 2.056 110.724 108.800 -0.219 0.000 2.256 1208 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.272 1208 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.272 1208 G C -0.049 174.809 174.900 -0.069 0.000 1.076 1208 G CA 0.445 45.478 45.100 -0.111 0.000 0.882 1208 G HN 0.203 nan 8.290 nan 0.000 0.497 1209 M N 0.200 119.764 119.600 -0.061 0.000 2.690 1209 M HA 0.566 5.046 4.480 -0.001 0.000 0.302 1209 M C 0.820 177.140 176.300 0.034 0.000 1.234 1209 M CA -0.658 54.648 55.300 0.011 0.000 0.853 1209 M CB 2.161 34.792 32.600 0.051 0.000 1.748 1209 M HN 0.492 nan 8.290 nan 0.000 0.469 1210 S N 0.120 115.857 115.700 0.062 0.000 2.564 1210 S HA 0.139 4.609 4.470 -0.001 0.000 0.278 1210 S C 0.800 175.448 174.600 0.079 0.000 1.333 1210 S CA -0.800 57.435 58.200 0.057 0.000 1.048 1210 S CB 1.270 64.501 63.200 0.053 0.000 0.900 1210 S HN 0.674 nan 8.310 nan 0.000 0.505 1211 V N 3.049 123.004 119.914 0.068 0.000 2.453 1211 V HA -0.205 3.915 4.120 -0.001 0.000 0.252 1211 V C 2.552 178.707 176.094 0.102 0.000 1.068 1211 V CA 2.863 65.216 62.300 0.089 0.000 1.070 1211 V CB -1.545 30.318 31.823 0.067 0.000 0.664 1211 V HN 1.188 nan 8.190 nan 0.000 0.461 1212 T N -2.941 111.658 114.554 0.075 0.000 2.777 1212 T HA -0.215 4.134 4.350 -0.001 0.000 0.266 1212 T C 1.794 176.528 174.700 0.056 0.000 1.040 1212 T CA 1.644 63.779 62.100 0.059 0.000 1.141 1212 T CB -0.524 68.363 68.868 0.032 0.000 0.868 1212 T HN 0.662 nan 8.240 nan 0.000 0.444 1213 E N 0.790 121.037 120.200 0.077 0.000 2.021 1213 E HA -0.169 4.180 4.350 -0.001 0.000 0.200 1213 E C 2.534 179.249 176.600 0.192 0.000 1.015 1213 E CA 2.010 58.473 56.400 0.105 0.000 0.824 1213 E CB -0.363 29.449 29.700 0.188 0.000 0.762 1213 E HN 0.526 nan 8.360 nan 0.000 0.454 1214 V N -0.707 119.373 119.914 0.276 0.000 2.453 1214 V HA -0.264 3.855 4.120 -0.001 0.000 0.252 1214 V C 1.676 177.918 176.094 0.247 0.000 1.068 1214 V CA 2.213 64.724 62.300 0.353 0.000 1.070 1214 V CB -0.643 31.389 31.823 0.348 0.000 0.664 1214 V HN 0.230 nan 8.190 nan 0.000 0.461 1215 E N 0.149 120.445 120.200 0.159 0.000 2.268 1215 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 1215 E C 2.351 178.966 176.600 0.026 0.000 0.995 1215 E CA 1.030 57.492 56.400 0.104 0.000 0.836 1215 E CB -0.149 29.614 29.700 0.104 0.000 0.763 1215 E HN 0.726 nan 8.360 nan 0.000 0.491 1216 R N 0.097 120.576 120.500 -0.035 0.000 2.062 1216 R HA -0.098 4.241 4.340 -0.001 0.000 0.226 1216 R C 1.566 177.782 176.300 -0.140 0.000 1.125 1216 R CA 1.041 57.028 56.100 -0.188 0.000 0.966 1216 R CB -0.232 29.812 30.300 -0.427 0.000 0.861 1216 R HN 0.193 nan 8.270 nan 0.000 0.433 1217 W N 0.671 122.010 121.300 0.065 0.000 2.467 1217 W HA 0.039 4.698 4.660 -0.001 0.000 0.275 1217 W C 1.424 177.991 176.519 0.079 0.000 1.239 1217 W CA 0.122 57.520 57.345 0.089 0.000 1.266 1217 W CB 0.170 29.699 29.460 0.114 0.000 1.112 1217 W HN 0.048 nan 8.180 nan 0.000 0.576 1218 L N 0.112 121.488 121.223 0.255 0.000 2.818 1218 L HA 0.323 4.663 4.340 -0.001 0.000 0.243 1218 L C 2.206 179.114 176.870 0.065 0.000 1.185 1218 L CA -0.218 54.706 54.840 0.140 0.000 0.988 1218 L CB -0.698 41.411 42.059 0.084 0.000 1.292 1218 L HN -0.067 nan 8.230 nan 0.000 0.519 1219 A N 1.647 124.494 122.820 0.044 0.000 1.894 1219 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 1219 A C -0.235 177.335 177.584 -0.023 0.000 1.237 1219 A CA 2.111 54.138 52.037 -0.017 0.000 0.660 1219 A CB -1.798 17.188 19.000 -0.024 0.000 0.835 1219 A HN 0.312 nan 8.150 nan 0.000 0.461 1220 P HA -0.080 nan 4.420 nan 0.000 0.223 1220 P C 0.113 177.415 177.300 0.004 0.000 1.144 1220 P CA 1.442 64.544 63.100 0.003 0.000 0.783 1220 P CB -0.219 31.491 31.700 0.016 0.000 0.771 1221 N N -1.636 117.068 118.700 0.006 0.000 2.203 1221 N HA 0.121 4.861 4.740 -0.001 0.000 0.207 1221 N C -0.189 175.320 175.510 -0.002 0.000 1.130 1221 N CA -0.064 52.993 53.050 0.012 0.000 0.861 1221 N CB -0.207 38.295 38.487 0.025 0.000 1.005 1221 N HN 0.092 nan 8.380 nan 0.000 0.507 1222 L N 0.895 122.073 121.223 -0.075 0.000 2.515 1222 L HA 0.191 4.530 4.340 -0.001 0.000 0.281 1222 L C 1.500 178.279 176.870 -0.151 0.000 1.131 1222 L CA -0.413 54.297 54.840 -0.217 0.000 0.905 1222 L CB 0.354 42.111 42.059 -0.505 0.000 1.246 1222 L HN 0.243 nan 8.230 nan 0.000 0.463 1223 G N 2.938 111.765 108.800 0.045 0.000 2.776 1223 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.209 1223 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.209 1223 G C 0.280 175.268 174.900 0.146 0.000 1.145 1223 G CA 0.172 45.327 45.100 0.091 0.000 0.791 1223 G HN 0.609 nan 8.290 nan 0.000 0.530 1224 Y N -1.496 118.816 120.300 0.020 0.000 2.730 1224 Y HA 0.630 5.180 4.550 -0.001 0.000 0.325 1224 Y C -0.757 175.153 175.900 0.017 0.000 1.132 1224 Y CA -2.639 55.471 58.100 0.018 0.000 1.206 1224 Y CB 0.179 38.649 38.460 0.017 0.000 1.390 1224 Y HN -0.198 nan 8.280 nan 0.000 0.555 1225 D N 1.390 121.892 120.400 0.170 0.000 2.368 1225 D HA 0.303 4.942 4.640 -0.001 0.000 0.268 1225 D C -0.114 176.152 176.300 -0.057 0.000 1.298 1225 D CA 0.506 54.536 54.000 0.050 0.000 0.938 1225 D CB 0.281 41.145 40.800 0.106 0.000 1.101 1225 D HN 0.869 nan 8.370 nan 0.000 0.509 1226 A N 3.512 126.229 122.820 -0.172 0.000 2.532 1226 A HA 0.151 4.471 4.320 -0.001 0.000 0.269 1226 A C 0.454 178.002 177.584 -0.060 0.000 1.079 1226 A CA 0.578 52.501 52.037 -0.191 0.000 0.800 1226 A CB -0.008 18.910 19.000 -0.137 0.000 1.000 1226 A HN 0.549 nan 8.150 nan 0.000 0.522 1227 D N 0.000 120.399 120.400 -0.002 0.000 6.856 1227 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 1227 D CA 0.000 54.032 54.000 0.053 0.000 0.868 1227 D CB 0.000 40.848 40.800 0.081 0.000 0.688 1227 D HN 0.000 nan 8.370 nan 0.000 0.683